Found 90 hits with Last Name = 'cordopatis' and Initial = 'p' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50295556
(C6H5-SO2-Glu-Gln-Arg-Leu-Gly-Asn-Gln-Trp-Ala-Val-G...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NS(=O)(=O)c1ccccc1)C(C)C)C(N)=O |r,wU:102.110,82.92,53.61,34.35,8.12,wD:93.101,74.81,62.69,39.52,30.31,16.23,4.4,(58.32,-8.81,;56.96,-8.06,;56.94,-6.52,;55.58,-5.78,;55.55,-4.23,;54.21,-3.5,;52.89,-4.29,;52.92,-5.83,;51.54,-3.55,;51.51,-2.01,;52.83,-1.21,;52.8,.33,;54.17,-1.95,;50.22,-4.34,;48.87,-3.6,;48.85,-2.06,;47.55,-4.39,;47.58,-5.94,;48.93,-6.68,;50.33,-6.03,;51.38,-7.15,;50.63,-8.5,;49.12,-8.2,;46.21,-3.65,;44.89,-4.45,;44.92,-5.98,;43.54,-3.7,;42.22,-4.49,;40.87,-3.75,;40.84,-2.21,;39.55,-4.55,;38.21,-3.81,;36.89,-4.6,;36.92,-6.13,;35.53,-3.85,;35.51,-2.32,;34.22,-4.65,;32.87,-3.91,;32.84,-2.36,;31.55,-4.7,;31.58,-6.24,;32.93,-6.99,;34.32,-6.33,;35.38,-7.46,;34.64,-8.8,;35.13,-10.26,;34.13,-11.42,;32.62,-11.13,;32.11,-9.68,;33.12,-8.52,;30.21,-3.96,;28.89,-4.75,;28.92,-6.29,;27.54,-4.01,;27.51,-2.47,;28.83,-1.68,;28.8,-.13,;27.45,.6,;30.11,.66,;26.22,-4.8,;24.87,-4.07,;24.84,-2.52,;23.55,-4.86,;23.59,-6.4,;24.93,-7.14,;26.25,-6.35,;24.96,-8.68,;22.21,-4.11,;20.89,-4.91,;20.91,-6.45,;19.53,-4.16,;18.22,-4.95,;16.87,-4.22,;16.84,-2.67,;15.56,-5.01,;15.59,-6.55,;16.93,-7.29,;16.96,-8.83,;18.25,-6.5,;14.21,-4.27,;12.9,-5.06,;12.93,-6.59,;11.55,-4.31,;11.52,-2.78,;12.84,-1.97,;12.8,-.44,;14.12,.36,;14.08,1.89,;12.74,2.64,;15.4,2.69,;10.22,-5.11,;8.88,-4.37,;8.85,-2.82,;7.55,-5.16,;7.59,-6.7,;8.94,-7.45,;8.97,-8.98,;7.64,-9.78,;10.32,-9.73,;6.21,-4.42,;4.89,-5.21,;4.92,-6.76,;3.54,-4.48,;3.5,-2.93,;4.83,-2.14,;4.81,-.59,;3.45,.15,;6.11,.2,;2.23,-5.26,;.88,-4.52,;1.96,-3.43,;.1,-3.19,;-.19,-5.62,;-1.68,-5.24,;-2.75,-6.34,;-2.34,-7.82,;-.84,-8.2,;.23,-7.1,;39.58,-6.09,;40.93,-6.83,;38.27,-6.88,;56.87,-3.44,;58.23,-4.19,;56.84,-1.9,)| Show InChI InChI=1S/C77H116N24O21S2/c1-39(2)29-53(97-68(112)49(19-14-27-85-77(82)83)94-69(113)50(20-23-58(78)102)95-71(115)52(22-25-63(107)108)101-124(121,122)45-15-10-9-11-16-45)67(111)87-36-61(105)92-57(33-60(80)104)75(119)96-51(21-24-59(79)103)70(114)99-55(31-43-34-86-47-18-13-12-17-46(43)47)72(116)90-42(7)66(110)100-64(41(5)6)76(120)88-37-62(106)91-56(32-44-35-84-38-89-44)74(118)98-54(30-40(3)4)73(117)93-48(65(81)109)26-28-123-8/h9-13,15-18,34-35,38-42,48-57,64,86,101H,14,19-33,36-37H2,1-8H3,(H2,78,102)(H2,79,103)(H2,80,104)(H2,81,109)(H,84,89)(H,87,111)(H,88,120)(H,90,116)(H,91,106)(H,92,105)(H,93,117)(H,94,113)(H,95,115)(H,96,119)(H,97,112)(H,98,118)(H,99,114)(H,100,110)(H,107,108)(H4,82,83,85)/t42-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,64-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agricultural University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of human GSTA1-1 expressed in Escherichia coli BL21 (DE3) by 1-chloro-2,4-dinitrobenzene competitive assay |
Eur J Med Chem 44: 2009-16 (2009)
Article DOI: 10.1016/j.ejmech.2008.10.009
BindingDB Entry DOI: 10.7270/Q2S182J4 |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50295555
(C6H5-SO2-Glu-Gln-Arg-Leu-Gly-Asn-Gln-Trp-Ala-Val-G...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NS(=O)(=O)c1ccccc1)C(C)C)C(N)=O |r,wU:105.114,85.96,56.65,37.39,8.16,wD:96.105,77.85,65.73,42.56,33.35,19.27,4.4,(57.23,-24.89,;55.88,-24.13,;55.87,-22.59,;54.53,-21.83,;54.52,-20.28,;53.18,-19.53,;51.85,-20.31,;51.86,-21.85,;50.51,-19.56,;50.5,-18.01,;51.83,-17.23,;53.16,-17.99,;54.49,-17.21,;54.48,-15.67,;53.14,-14.91,;51.81,-15.69,;49.18,-20.33,;47.84,-19.58,;47.83,-18.04,;46.52,-20.36,;46.53,-21.9,;47.87,-22.65,;49.27,-22.02,;50.31,-23.15,;49.55,-24.5,;48.04,-24.18,;45.18,-19.6,;43.85,-20.38,;43.86,-21.92,;42.51,-19.62,;41.18,-20.4,;39.84,-19.65,;39.83,-18.1,;38.51,-20.42,;37.18,-19.67,;35.85,-20.45,;35.86,-21.98,;34.5,-19.69,;34.49,-18.15,;33.18,-20.47,;31.84,-19.71,;31.83,-18.17,;30.51,-20.49,;30.52,-22.03,;31.87,-22.79,;33.27,-22.15,;34.31,-23.29,;33.55,-24.62,;34.03,-26.09,;33.02,-27.24,;31.51,-26.93,;31.02,-25.48,;32.04,-24.32,;29.18,-19.73,;27.85,-20.51,;27.86,-22.06,;26.5,-19.76,;26.49,-18.22,;27.82,-17.44,;27.81,-15.89,;26.47,-15.14,;29.13,-15.12,;25.18,-20.54,;23.84,-19.78,;23.83,-18.24,;22.51,-20.56,;22.53,-22.1,;23.86,-22.86,;25.19,-22.08,;23.88,-24.4,;21.17,-19.8,;19.85,-20.58,;19.86,-22.12,;18.5,-19.83,;17.18,-20.6,;15.84,-19.85,;15.83,-18.3,;14.51,-20.63,;14.52,-22.17,;15.87,-22.92,;15.88,-24.46,;17.19,-22.14,;13.18,-19.87,;11.86,-20.65,;11.87,-22.18,;10.51,-19.89,;10.5,-18.35,;11.84,-17.58,;11.81,-16.03,;13.13,-15.26,;13.13,-13.71,;11.78,-12.96,;14.45,-12.94,;9.18,-20.67,;7.85,-19.93,;7.83,-18.38,;6.51,-20.69,;6.53,-22.23,;7.87,-22.99,;7.88,-24.53,;6.55,-25.31,;9.23,-25.29,;5.18,-19.94,;3.85,-20.73,;3.86,-22.26,;2.5,-19.96,;2.49,-18.43,;3.82,-17.63,;3.81,-16.09,;2.46,-15.34,;5.13,-15.32,;1.18,-20.74,;-.16,-19.99,;.6,-18.66,;-.94,-18.66,;-1.02,-21.26,;-2.55,-21.14,;-3.41,-22.41,;-2.75,-23.79,;-1.21,-23.9,;-.35,-22.64,;38.52,-21.97,;39.87,-22.72,;37.2,-22.74,;55.84,-19.51,;57.19,-20.27,;55.83,-17.96,)| Show InChI InChI=1S/C80H114N24O21S2/c1-42(2)32-56(100-71(115)52(22-15-30-88-80(85)86)97-72(116)53(23-26-61(81)105)98-74(118)55(25-28-66(110)111)104-127(124,125)48-18-11-8-12-19-48)70(114)90-39-64(108)95-60(36-63(83)107)78(122)99-54(24-27-62(82)106)73(117)102-58(34-46-37-89-50-21-14-13-20-49(46)50)75(119)93-44(5)69(113)103-67(43(3)4)79(123)91-40-65(109)94-59(35-47-38-87-41-92-47)77(121)101-57(33-45-16-9-7-10-17-45)76(120)96-51(68(84)112)29-31-126-6/h7-14,16-21,37-38,41-44,51-60,67,89,104H,15,22-36,39-40H2,1-6H3,(H2,81,105)(H2,82,106)(H2,83,107)(H2,84,112)(H,87,92)(H,90,114)(H,91,123)(H,93,119)(H,94,109)(H,95,108)(H,96,120)(H,97,116)(H,98,118)(H,99,122)(H,100,115)(H,101,121)(H,102,117)(H,103,113)(H,110,111)(H4,85,86,88)/t44-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,67-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agricultural University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of human GSTA1-1 expressed in Escherichia coli BL21 (DE3) by 1-chloro-2,4-dinitrobenzene competitive assay |
Eur J Med Chem 44: 2009-16 (2009)
Article DOI: 10.1016/j.ejmech.2008.10.009
BindingDB Entry DOI: 10.7270/Q2S182J4 |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50295554
(C6H5-SO2-Glu-Gln-Ser-Leu-Gly-Asn-Gln-Trp-Ala-Arg-G...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NS(=O)(=O)c1ccccc1)C(N)=O |r,wU:107.116,92.98,63.72,44.46,8.16,wD:98.107,84.92,72.80,49.63,33.42,19.27,4.4,(53.04,-39.54,;51.71,-38.78,;51.72,-37.23,;50.38,-36.46,;50.38,-34.92,;49.04,-34.15,;47.72,-34.92,;47.71,-36.46,;46.38,-34.15,;46.38,-32.6,;47.72,-31.84,;49.05,-32.61,;50.38,-31.84,;50.39,-30.3,;49.05,-29.53,;47.72,-30.29,;45.04,-34.91,;43.71,-34.15,;43.71,-32.6,;42.38,-34.91,;42.38,-36.46,;43.71,-37.22,;45.12,-36.6,;46.15,-37.74,;45.37,-39.08,;43.87,-38.75,;41.04,-34.14,;39.71,-34.91,;39.71,-36.45,;38.37,-34.14,;37.04,-34.9,;35.71,-34.14,;35.71,-32.59,;34.37,-34.9,;34.37,-36.45,;35.71,-37.21,;35.71,-38.76,;37.04,-39.53,;37.04,-41.07,;35.7,-41.84,;38.37,-41.84,;33.04,-34.14,;31.71,-34.9,;31.71,-36.45,;30.37,-34.14,;30.37,-32.59,;29.04,-34.9,;27.71,-34.13,;27.71,-32.59,;26.37,-34.9,;26.37,-36.44,;27.71,-37.21,;29.11,-36.58,;30.14,-37.73,;29.37,-39.07,;29.84,-40.53,;28.81,-41.67,;27.31,-41.35,;26.83,-39.89,;27.87,-38.74,;25.04,-34.13,;23.7,-34.89,;23.7,-36.44,;22.37,-34.13,;22.37,-32.59,;23.71,-31.82,;23.71,-30.27,;22.37,-29.51,;25.04,-29.51,;21.03,-34.89,;19.7,-34.13,;19.71,-32.58,;18.37,-34.89,;18.37,-36.44,;19.7,-37.2,;21.03,-36.44,;19.7,-38.75,;17.04,-34.12,;15.7,-34.89,;15.7,-36.43,;14.36,-34.12,;13.03,-34.89,;11.7,-34.12,;11.7,-32.58,;10.36,-34.88,;10.36,-36.43,;11.7,-37.19,;11.7,-38.74,;13.03,-36.43,;9.04,-34.12,;7.7,-34.88,;7.7,-36.43,;6.36,-34.12,;6.36,-32.58,;7.7,-31.81,;5.03,-34.89,;3.7,-34.11,;3.7,-32.58,;2.36,-34.88,;2.36,-36.42,;3.7,-37.19,;3.69,-38.74,;2.36,-39.51,;5.03,-39.5,;1.03,-34.11,;-.31,-34.88,;-.31,-36.42,;-1.64,-34.11,;-1.64,-32.57,;-.3,-31.8,;-.3,-30.26,;-1.64,-29.49,;1.03,-29.5,;-2.97,-34.87,;-4.29,-34.11,;-3.21,-33.01,;-5.07,-32.77,;-5.37,-35.2,;-6.85,-34.82,;-7.93,-35.91,;-7.52,-37.39,;-6.02,-37.77,;-4.95,-36.68,;51.71,-34.15,;53.05,-34.92,;51.71,-32.61,)| Show InChI InChI=1S/C78H110N24O22S2/c1-41(2)30-54(98-77(122)59(39-103)101-71(116)52(22-25-61(80)105)96-72(117)53(23-26-65(109)110)102-126(123,124)46-16-9-6-10-17-46)69(114)89-38-64(108)93-58(34-62(81)106)76(121)97-51(21-24-60(79)104)70(115)100-56(32-44-35-87-48-19-12-11-18-47(44)48)73(118)91-42(3)67(112)95-50(20-13-28-86-78(83)84)68(113)88-37-63(107)92-57(33-45-36-85-40-90-45)75(120)99-55(31-43-14-7-5-8-15-43)74(119)94-49(66(82)111)27-29-125-4/h5-12,14-19,35-36,40-42,49-59,87,102-103H,13,20-34,37-39H2,1-4H3,(H2,79,104)(H2,80,105)(H2,81,106)(H2,82,111)(H,85,90)(H,88,113)(H,89,114)(H,91,118)(H,92,107)(H,93,108)(H,94,119)(H,95,112)(H,96,117)(H,97,121)(H,98,122)(H,99,120)(H,100,115)(H,101,116)(H,109,110)(H4,83,84,86)/t42-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agricultural University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of human GSTA1-1 expressed in Escherichia coli BL21 (DE3) by 1-chloro-2,4-dinitrobenzene competitive assay |
Eur J Med Chem 44: 2009-16 (2009)
Article DOI: 10.1016/j.ejmech.2008.10.009
BindingDB Entry DOI: 10.7270/Q2S182J4 |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50295556
(C6H5-SO2-Glu-Gln-Arg-Leu-Gly-Asn-Gln-Trp-Ala-Val-G...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NS(=O)(=O)c1ccccc1)C(C)C)C(N)=O |r,wU:102.110,82.92,53.61,34.35,8.12,wD:93.101,74.81,62.69,39.52,30.31,16.23,4.4,(58.32,-8.81,;56.96,-8.06,;56.94,-6.52,;55.58,-5.78,;55.55,-4.23,;54.21,-3.5,;52.89,-4.29,;52.92,-5.83,;51.54,-3.55,;51.51,-2.01,;52.83,-1.21,;52.8,.33,;54.17,-1.95,;50.22,-4.34,;48.87,-3.6,;48.85,-2.06,;47.55,-4.39,;47.58,-5.94,;48.93,-6.68,;50.33,-6.03,;51.38,-7.15,;50.63,-8.5,;49.12,-8.2,;46.21,-3.65,;44.89,-4.45,;44.92,-5.98,;43.54,-3.7,;42.22,-4.49,;40.87,-3.75,;40.84,-2.21,;39.55,-4.55,;38.21,-3.81,;36.89,-4.6,;36.92,-6.13,;35.53,-3.85,;35.51,-2.32,;34.22,-4.65,;32.87,-3.91,;32.84,-2.36,;31.55,-4.7,;31.58,-6.24,;32.93,-6.99,;34.32,-6.33,;35.38,-7.46,;34.64,-8.8,;35.13,-10.26,;34.13,-11.42,;32.62,-11.13,;32.11,-9.68,;33.12,-8.52,;30.21,-3.96,;28.89,-4.75,;28.92,-6.29,;27.54,-4.01,;27.51,-2.47,;28.83,-1.68,;28.8,-.13,;27.45,.6,;30.11,.66,;26.22,-4.8,;24.87,-4.07,;24.84,-2.52,;23.55,-4.86,;23.59,-6.4,;24.93,-7.14,;26.25,-6.35,;24.96,-8.68,;22.21,-4.11,;20.89,-4.91,;20.91,-6.45,;19.53,-4.16,;18.22,-4.95,;16.87,-4.22,;16.84,-2.67,;15.56,-5.01,;15.59,-6.55,;16.93,-7.29,;16.96,-8.83,;18.25,-6.5,;14.21,-4.27,;12.9,-5.06,;12.93,-6.59,;11.55,-4.31,;11.52,-2.78,;12.84,-1.97,;12.8,-.44,;14.12,.36,;14.08,1.89,;12.74,2.64,;15.4,2.69,;10.22,-5.11,;8.88,-4.37,;8.85,-2.82,;7.55,-5.16,;7.59,-6.7,;8.94,-7.45,;8.97,-8.98,;7.64,-9.78,;10.32,-9.73,;6.21,-4.42,;4.89,-5.21,;4.92,-6.76,;3.54,-4.48,;3.5,-2.93,;4.83,-2.14,;4.81,-.59,;3.45,.15,;6.11,.2,;2.23,-5.26,;.88,-4.52,;1.96,-3.43,;.1,-3.19,;-.19,-5.62,;-1.68,-5.24,;-2.75,-6.34,;-2.34,-7.82,;-.84,-8.2,;.23,-7.1,;39.58,-6.09,;40.93,-6.83,;38.27,-6.88,;56.87,-3.44,;58.23,-4.19,;56.84,-1.9,)| Show InChI InChI=1S/C77H116N24O21S2/c1-39(2)29-53(97-68(112)49(19-14-27-85-77(82)83)94-69(113)50(20-23-58(78)102)95-71(115)52(22-25-63(107)108)101-124(121,122)45-15-10-9-11-16-45)67(111)87-36-61(105)92-57(33-60(80)104)75(119)96-51(21-24-59(79)103)70(114)99-55(31-43-34-86-47-18-13-12-17-46(43)47)72(116)90-42(7)66(110)100-64(41(5)6)76(120)88-37-62(106)91-56(32-44-35-84-38-89-44)74(118)98-54(30-40(3)4)73(117)93-48(65(81)109)26-28-123-8/h9-13,15-18,34-35,38-42,48-57,64,86,101H,14,19-33,36-37H2,1-8H3,(H2,78,102)(H2,79,103)(H2,80,104)(H2,81,109)(H,84,89)(H,87,111)(H,88,120)(H,90,116)(H,91,106)(H,92,105)(H,93,117)(H,94,113)(H,95,115)(H,96,119)(H,97,112)(H,98,118)(H,99,114)(H,100,110)(H,107,108)(H4,82,83,85)/t42-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,64-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agricultural University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of human GSTA1-1 expressed in Escherichia coli BL21 (DE3) by glutathione competitive assay |
Eur J Med Chem 44: 2009-16 (2009)
Article DOI: 10.1016/j.ejmech.2008.10.009
BindingDB Entry DOI: 10.7270/Q2S182J4 |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50295555
(C6H5-SO2-Glu-Gln-Arg-Leu-Gly-Asn-Gln-Trp-Ala-Val-G...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NS(=O)(=O)c1ccccc1)C(C)C)C(N)=O |r,wU:105.114,85.96,56.65,37.39,8.16,wD:96.105,77.85,65.73,42.56,33.35,19.27,4.4,(57.23,-24.89,;55.88,-24.13,;55.87,-22.59,;54.53,-21.83,;54.52,-20.28,;53.18,-19.53,;51.85,-20.31,;51.86,-21.85,;50.51,-19.56,;50.5,-18.01,;51.83,-17.23,;53.16,-17.99,;54.49,-17.21,;54.48,-15.67,;53.14,-14.91,;51.81,-15.69,;49.18,-20.33,;47.84,-19.58,;47.83,-18.04,;46.52,-20.36,;46.53,-21.9,;47.87,-22.65,;49.27,-22.02,;50.31,-23.15,;49.55,-24.5,;48.04,-24.18,;45.18,-19.6,;43.85,-20.38,;43.86,-21.92,;42.51,-19.62,;41.18,-20.4,;39.84,-19.65,;39.83,-18.1,;38.51,-20.42,;37.18,-19.67,;35.85,-20.45,;35.86,-21.98,;34.5,-19.69,;34.49,-18.15,;33.18,-20.47,;31.84,-19.71,;31.83,-18.17,;30.51,-20.49,;30.52,-22.03,;31.87,-22.79,;33.27,-22.15,;34.31,-23.29,;33.55,-24.62,;34.03,-26.09,;33.02,-27.24,;31.51,-26.93,;31.02,-25.48,;32.04,-24.32,;29.18,-19.73,;27.85,-20.51,;27.86,-22.06,;26.5,-19.76,;26.49,-18.22,;27.82,-17.44,;27.81,-15.89,;26.47,-15.14,;29.13,-15.12,;25.18,-20.54,;23.84,-19.78,;23.83,-18.24,;22.51,-20.56,;22.53,-22.1,;23.86,-22.86,;25.19,-22.08,;23.88,-24.4,;21.17,-19.8,;19.85,-20.58,;19.86,-22.12,;18.5,-19.83,;17.18,-20.6,;15.84,-19.85,;15.83,-18.3,;14.51,-20.63,;14.52,-22.17,;15.87,-22.92,;15.88,-24.46,;17.19,-22.14,;13.18,-19.87,;11.86,-20.65,;11.87,-22.18,;10.51,-19.89,;10.5,-18.35,;11.84,-17.58,;11.81,-16.03,;13.13,-15.26,;13.13,-13.71,;11.78,-12.96,;14.45,-12.94,;9.18,-20.67,;7.85,-19.93,;7.83,-18.38,;6.51,-20.69,;6.53,-22.23,;7.87,-22.99,;7.88,-24.53,;6.55,-25.31,;9.23,-25.29,;5.18,-19.94,;3.85,-20.73,;3.86,-22.26,;2.5,-19.96,;2.49,-18.43,;3.82,-17.63,;3.81,-16.09,;2.46,-15.34,;5.13,-15.32,;1.18,-20.74,;-.16,-19.99,;.6,-18.66,;-.94,-18.66,;-1.02,-21.26,;-2.55,-21.14,;-3.41,-22.41,;-2.75,-23.79,;-1.21,-23.9,;-.35,-22.64,;38.52,-21.97,;39.87,-22.72,;37.2,-22.74,;55.84,-19.51,;57.19,-20.27,;55.83,-17.96,)| Show InChI InChI=1S/C80H114N24O21S2/c1-42(2)32-56(100-71(115)52(22-15-30-88-80(85)86)97-72(116)53(23-26-61(81)105)98-74(118)55(25-28-66(110)111)104-127(124,125)48-18-11-8-12-19-48)70(114)90-39-64(108)95-60(36-63(83)107)78(122)99-54(24-27-62(82)106)73(117)102-58(34-46-37-89-50-21-14-13-20-49(46)50)75(119)93-44(5)69(113)103-67(43(3)4)79(123)91-40-65(109)94-59(35-47-38-87-41-92-47)77(121)101-57(33-45-16-9-7-10-17-45)76(120)96-51(68(84)112)29-31-126-6/h7-14,16-21,37-38,41-44,51-60,67,89,104H,15,22-36,39-40H2,1-6H3,(H2,81,105)(H2,82,106)(H2,83,107)(H2,84,112)(H,87,92)(H,90,114)(H,91,123)(H,93,119)(H,94,109)(H,95,108)(H,96,120)(H,97,116)(H,98,118)(H,99,122)(H,100,115)(H,101,121)(H,102,117)(H,103,113)(H,110,111)(H4,85,86,88)/t44-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,67-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agricultural University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of human GSTA1-1 expressed in Escherichia coli BL21 (DE3) by glutathione competitive assay |
Eur J Med Chem 44: 2009-16 (2009)
Article DOI: 10.1016/j.ejmech.2008.10.009
BindingDB Entry DOI: 10.7270/Q2S182J4 |
More data for this
Ligand-Target Pair | |
Glutathione S-transferase A1
(Homo sapiens (Human)) | BDBM50295554
(C6H5-SO2-Glu-Gln-Ser-Leu-Gly-Asn-Gln-Trp-Ala-Arg-G...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(O)=O)NS(=O)(=O)c1ccccc1)C(N)=O |r,wU:107.116,92.98,63.72,44.46,8.16,wD:98.107,84.92,72.80,49.63,33.42,19.27,4.4,(53.04,-39.54,;51.71,-38.78,;51.72,-37.23,;50.38,-36.46,;50.38,-34.92,;49.04,-34.15,;47.72,-34.92,;47.71,-36.46,;46.38,-34.15,;46.38,-32.6,;47.72,-31.84,;49.05,-32.61,;50.38,-31.84,;50.39,-30.3,;49.05,-29.53,;47.72,-30.29,;45.04,-34.91,;43.71,-34.15,;43.71,-32.6,;42.38,-34.91,;42.38,-36.46,;43.71,-37.22,;45.12,-36.6,;46.15,-37.74,;45.37,-39.08,;43.87,-38.75,;41.04,-34.14,;39.71,-34.91,;39.71,-36.45,;38.37,-34.14,;37.04,-34.9,;35.71,-34.14,;35.71,-32.59,;34.37,-34.9,;34.37,-36.45,;35.71,-37.21,;35.71,-38.76,;37.04,-39.53,;37.04,-41.07,;35.7,-41.84,;38.37,-41.84,;33.04,-34.14,;31.71,-34.9,;31.71,-36.45,;30.37,-34.14,;30.37,-32.59,;29.04,-34.9,;27.71,-34.13,;27.71,-32.59,;26.37,-34.9,;26.37,-36.44,;27.71,-37.21,;29.11,-36.58,;30.14,-37.73,;29.37,-39.07,;29.84,-40.53,;28.81,-41.67,;27.31,-41.35,;26.83,-39.89,;27.87,-38.74,;25.04,-34.13,;23.7,-34.89,;23.7,-36.44,;22.37,-34.13,;22.37,-32.59,;23.71,-31.82,;23.71,-30.27,;22.37,-29.51,;25.04,-29.51,;21.03,-34.89,;19.7,-34.13,;19.71,-32.58,;18.37,-34.89,;18.37,-36.44,;19.7,-37.2,;21.03,-36.44,;19.7,-38.75,;17.04,-34.12,;15.7,-34.89,;15.7,-36.43,;14.36,-34.12,;13.03,-34.89,;11.7,-34.12,;11.7,-32.58,;10.36,-34.88,;10.36,-36.43,;11.7,-37.19,;11.7,-38.74,;13.03,-36.43,;9.04,-34.12,;7.7,-34.88,;7.7,-36.43,;6.36,-34.12,;6.36,-32.58,;7.7,-31.81,;5.03,-34.89,;3.7,-34.11,;3.7,-32.58,;2.36,-34.88,;2.36,-36.42,;3.7,-37.19,;3.69,-38.74,;2.36,-39.51,;5.03,-39.5,;1.03,-34.11,;-.31,-34.88,;-.31,-36.42,;-1.64,-34.11,;-1.64,-32.57,;-.3,-31.8,;-.3,-30.26,;-1.64,-29.49,;1.03,-29.5,;-2.97,-34.87,;-4.29,-34.11,;-3.21,-33.01,;-5.07,-32.77,;-5.37,-35.2,;-6.85,-34.82,;-7.93,-35.91,;-7.52,-37.39,;-6.02,-37.77,;-4.95,-36.68,;51.71,-34.15,;53.05,-34.92,;51.71,-32.61,)| Show InChI InChI=1S/C78H110N24O22S2/c1-41(2)30-54(98-77(122)59(39-103)101-71(116)52(22-25-61(80)105)96-72(117)53(23-26-65(109)110)102-126(123,124)46-16-9-6-10-17-46)69(114)89-38-64(108)93-58(34-62(81)106)76(121)97-51(21-24-60(79)104)70(115)100-56(32-44-35-87-48-19-12-11-18-47(44)48)73(118)91-42(3)67(112)95-50(20-13-28-86-78(83)84)68(113)88-37-63(107)92-57(33-45-36-85-40-90-45)75(120)99-55(31-43-14-7-5-8-15-43)74(119)94-49(66(82)111)27-29-125-4/h5-12,14-19,35-36,40-42,49-59,87,102-103H,13,20-34,37-39H2,1-4H3,(H2,79,104)(H2,80,105)(H2,81,106)(H2,82,111)(H,85,90)(H,88,113)(H,89,114)(H,91,118)(H,92,107)(H,93,108)(H,94,119)(H,95,112)(H,96,117)(H,97,121)(H,98,122)(H,99,120)(H,100,115)(H,101,116)(H,109,110)(H4,83,84,86)/t42-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Agricultural University of Athens
Curated by ChEMBL
| Assay Description
Inhibition of human GSTA1-1 expressed in Escherichia coli BL21 (DE3) by glutathione competitive assay |
Eur J Med Chem 44: 2009-16 (2009)
Article DOI: 10.1016/j.ejmech.2008.10.009
BindingDB Entry DOI: 10.7270/Q2S182J4 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158698
(CHEMBL266078 | [N40,Pro1,Tyr4]BB)Show SMILES CSCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O Show InChI InChI=1S/C83H130N28O19S/c1-44(2)32-58(77(125)103-54(70(89)118)15-11-31-131-6)107-78(126)61(35-50-40-94-43-99-50)101-68(117)42-98-81(129)69(45(3)4)110-71(119)46(5)100-76(124)60(34-48-39-96-53-13-8-7-12-52(48)53)109-75(123)56(21-23-64(86)113)105-79(127)62(36-66(88)115)102-67(116)41-97-72(120)59(33-47-17-19-51(112)20-18-47)108-73(121)55(14-9-27-95-83(90)91)104-74(122)57(22-24-65(87)114)106-80(128)63-16-10-30-111(63)82(130)49(37-92-28-25-84)38-93-29-26-85/h7-8,12-13,17-20,39-40,43-46,49,54-63,69,92-93,96,112H,9-11,14-16,21-38,41-42,84-85H2,1-6H3,(H2,86,113)(H2,87,114)(H2,88,115)(H2,89,118)(H,94,99)(H,97,120)(H,98,129)(H,100,124)(H,101,117)(H,102,116)(H,103,125)(H,104,122)(H,105,127)(H,106,128)(H,107,126)(H,108,121)(H,109,123)(H,110,119)(H4,90,91,95)/t46-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?,69-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125 I-Tyr4]BB from human gastrin releasing peptide receptor expressed in PC-3 cell membranes |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158699
(CHEMBL414307 | [(N4-Bzdig)0]BB(7-14))Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C61H94N18O12S/c1-35(2)23-47(59(88)76-45(55(65)84)17-22-92-6)77-60(89)49(26-42-30-68-34-71-42)75-51(81)31-70-61(90)54(36(3)4)79-56(85)37(5)72-58(87)48(25-40-29-69-44-10-8-7-9-43(40)44)78-57(86)46(15-16-50(64)80)74-53(83)33-91-32-52(82)73-41-13-11-38(12-14-41)24-39(27-66-20-18-62)28-67-21-19-63/h7-14,29-30,34-37,39,45-49,54,66-67,69H,15-28,31-33,62-63H2,1-6H3,(H2,64,80)(H2,65,84)(H,68,71)(H,70,90)(H,72,87)(H,73,82)(H,74,83)(H,75,81)(H,76,88)(H,77,89)(H,78,86)(H,79,85)/t37-,45-,46-,47-,48-,49-,54-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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| Article
PubMed
| n/a | n/a | 0.0800 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125 I-Tyr4]BB from human gastrin releasing peptide receptor expressed in PC-3 cell membranes |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158697
(CHEMBL268222 | [N40,Pro1,Tyr4,Nle 14]BB)Show SMILES CCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O Show InChI InChI=1S/C84H132N28O19/c1-7-8-9-16-55(71(90)119)104-78(126)59(33-45(2)3)108-79(127)62(36-51-41-95-44-100-51)102-69(118)43-99-82(130)70(46(4)5)111-72(120)47(6)101-77(125)61(35-49-40-97-54-15-11-10-14-53(49)54)110-76(124)57(23-25-65(87)114)106-80(128)63(37-67(89)116)103-68(117)42-98-73(121)60(34-48-19-21-52(113)22-20-48)109-74(122)56(17-12-29-96-84(91)92)105-75(123)58(24-26-66(88)115)107-81(129)64-18-13-32-112(64)83(131)50(38-93-30-27-85)39-94-31-28-86/h10-11,14-15,19-22,40-41,44-47,50,55-64,70,93-94,97,113H,7-9,12-13,16-18,23-39,42-43,85-86H2,1-6H3,(H2,87,114)(H2,88,115)(H2,89,116)(H2,90,119)(H,95,100)(H,98,121)(H,99,130)(H,101,125)(H,102,118)(H,103,117)(H,104,126)(H,105,123)(H,106,128)(H,107,129)(H,108,127)(H,109,122)(H,110,124)(H,111,120)(H4,91,92,96)/t47-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64?,70-/m0/s1 | PDB
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PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125 I-Tyr4]BB from human gastrin releasing peptide receptor expressed in PC-3 cell membranes |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158698
(CHEMBL266078 | [N40,Pro1,Tyr4]BB)Show SMILES CSCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O Show InChI InChI=1S/C83H130N28O19S/c1-44(2)32-58(77(125)103-54(70(89)118)15-11-31-131-6)107-78(126)61(35-50-40-94-43-99-50)101-68(117)42-98-81(129)69(45(3)4)110-71(119)46(5)100-76(124)60(34-48-39-96-53-13-8-7-12-52(48)53)109-75(123)56(21-23-64(86)113)105-79(127)62(36-66(88)115)102-67(116)41-97-72(120)59(33-47-17-19-51(112)20-18-47)108-73(121)55(14-9-27-95-83(90)91)104-74(122)57(22-24-65(87)114)106-80(128)63-16-10-30-111(63)82(130)49(37-92-28-25-84)38-93-29-26-85/h7-8,12-13,17-20,39-40,43-46,49,54-63,69,92-93,96,112H,9-11,14-16,21-38,41-42,84-85H2,1-6H3,(H2,86,113)(H2,87,114)(H2,88,115)(H2,89,118)(H,94,99)(H,97,120)(H,98,129)(H,100,124)(H,101,117)(H,102,116)(H,103,125)(H,104,122)(H,105,127)(H,106,128)(H,107,126)(H,108,121)(H,109,123)(H,110,119)(H4,90,91,95)/t46-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?,69-/m0/s1 | PDB
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PubMed
| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of gastrin releasing peptide receptor expressed in human prostate cancer cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158700
(CHEMBL266079 | [(N4-Bzdig)0,Nle14]BB(7-14))Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C62H96N18O12/c1-7-8-12-46(56(66)85)77-60(89)48(24-36(2)3)78-61(90)50(27-43-31-69-35-72-43)76-52(82)32-71-62(91)55(37(4)5)80-57(86)38(6)73-59(88)49(26-41-30-70-45-13-10-9-11-44(41)45)79-58(87)47(18-19-51(65)81)75-54(84)34-92-33-53(83)74-42-16-14-39(15-17-42)25-40(28-67-22-20-63)29-68-23-21-64/h9-11,13-17,30-31,35-38,40,46-50,55,67-68,70H,7-8,12,18-29,32-34,63-64H2,1-6H3,(H2,65,81)(H2,66,85)(H,69,72)(H,71,91)(H,73,88)(H,74,83)(H,75,84)(H,76,82)(H,77,89)(H,78,90)(H,79,87)(H,80,86)/t38-,46-,47-,48-,49-,50-,55-/m0/s1 | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125 I-Tyr4]BB from human gastrin releasing peptide receptor expressed in PC-3 cell membranes |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158699
(CHEMBL414307 | [(N4-Bzdig)0]BB(7-14))Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C61H94N18O12S/c1-35(2)23-47(59(88)76-45(55(65)84)17-22-92-6)77-60(89)49(26-42-30-68-34-71-42)75-51(81)31-70-61(90)54(36(3)4)79-56(85)37(5)72-58(87)48(25-40-29-69-44-10-8-7-9-43(40)44)78-57(86)46(15-16-50(64)80)74-53(83)33-91-32-52(82)73-41-13-11-38(12-14-41)24-39(27-66-20-18-62)28-67-21-19-63/h7-14,29-30,34-37,39,45-49,54,66-67,69H,15-28,31-33,62-63H2,1-6H3,(H2,64,80)(H2,65,84)(H,68,71)(H,70,90)(H,72,87)(H,73,82)(H,74,83)(H,75,81)(H,76,88)(H,77,89)(H,78,86)(H,79,85)/t37-,45-,46-,47-,48-,49-,54-/m0/s1 | PDB
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| n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of gastrin releasing peptide receptor expressed in human prostate cancer cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM81767
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r| Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1 | PDB
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST2 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158702
(CHEMBL413893 | Universal ligand)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C57H76N14O11/c1-6-7-16-42(49(60)74)66-55(80)44(25-34-13-9-8-10-14-34)69-56(81)46(27-37-29-61-30-63-37)68-50(75)32(4)65-57(82)48(31(2)3)71-51(76)33(5)64-54(79)45(26-36-28-62-41-17-12-11-15-39(36)41)70-53(78)43(22-23-47(59)73)67-52(77)40(58)24-35-18-20-38(72)21-19-35/h8-15,17-21,28-33,40,42-46,48,62,72H,6-7,16,22-27,58H2,1-5H3,(H2,59,73)(H2,60,74)(H,61,63)(H,64,79)(H,65,82)(H,66,80)(H,67,77)(H,68,75)(H,69,81)(H,70,78)(H,71,76)/t32-,33-,40-,42-,43-,44-,45-,46-,48-/m0/s1 | PDB
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| n/a | n/a | 0.720 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of gastrin releasing peptide receptor expressed in human prostate cancer cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50496021
(CHEMBL3122129)Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COCCOCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C85H120N20O23S2/c1-53(107)74-83(124)97-64(42-56-20-9-4-10-21-56)79(120)98-66(49-106)81(122)100-68(84(125)126)52-130-129-51-67(99-75(116)60(25-15-27-90-85(87)88)92-70(109)50-128-39-38-127-37-28-89-69(108)45-102-29-31-103(46-71(110)111)33-35-105(48-73(114)115)36-34-104(32-30-102)47-72(112)113)82(123)95-63(41-55-18-7-3-8-19-55)77(118)94-62(40-54-16-5-2-6-17-54)78(119)96-65(43-57-44-91-59-23-12-11-22-58(57)59)80(121)93-61(76(117)101-74)24-13-14-26-86/h2-12,16-23,44,53,60-68,74,91,106-107H,13-15,24-43,45-52,86H2,1H3,(H,89,108)(H,92,109)(H,93,121)(H,94,118)(H,95,123)(H,96,119)(H,97,124)(H,98,120)(H,99,116)(H,100,122)(H,101,117)(H,110,111)(H,112,113)(H,114,115)(H,125,126)(H4,87,88,90)/t53-,60+,61+,62+,63+,64+,65-,66+,67+,68+,74+/m1/s1 | PDB
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| n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST2 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158701
(CHEMBL407101 | [Tyr4]Bombesin)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCC(=O)N1)C(C)C)C(N)=O Show InChI InChI=1S/C74H108N24O19S/c1-36(2)26-50(70(114)91-45(62(78)106)23-25-118-6)95-71(115)53(29-41-32-81-35-86-41)89-60(105)34-85-73(117)61(37(3)4)98-63(107)38(5)87-69(113)52(28-40-31-83-44-11-8-7-10-43(40)44)97-68(112)49(18-21-56(76)101)94-72(116)54(30-57(77)102)90-59(104)33-84-64(108)51(27-39-13-15-42(99)16-14-39)96-65(109)46(12-9-24-82-74(79)80)92-67(111)48(17-20-55(75)100)93-66(110)47-19-22-58(103)88-47/h7-8,10-11,13-16,31-32,35-38,45-54,61,83,99H,9,12,17-30,33-34H2,1-6H3,(H2,75,100)(H2,76,101)(H2,77,102)(H2,78,106)(H,81,86)(H,84,108)(H,85,117)(H,87,113)(H,88,103)(H,89,105)(H,90,104)(H,91,114)(H,92,111)(H,93,110)(H,94,116)(H,95,115)(H,96,109)(H,97,112)(H,98,107)(H4,79,80,82)/t38-,45-,46-,47?,48-,49-,50-,51-,52-,53-,54-,61-/m0/s1 | PDB
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| n/a | n/a | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Displacement of [125 I-Tyr4]BB from human gastrin releasing peptide receptor expressed in PC-3 cell membranes |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50496021
(CHEMBL3122129)Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COCCOCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C85H120N20O23S2/c1-53(107)74-83(124)97-64(42-56-20-9-4-10-21-56)79(120)98-66(49-106)81(122)100-68(84(125)126)52-130-129-51-67(99-75(116)60(25-15-27-90-85(87)88)92-70(109)50-128-39-38-127-37-28-89-69(108)45-102-29-31-103(46-71(110)111)33-35-105(48-73(114)115)36-34-104(32-30-102)47-72(112)113)82(123)95-63(41-55-18-7-3-8-19-55)77(118)94-62(40-54-16-5-2-6-17-54)78(119)96-65(43-57-44-91-59-23-12-11-22-58(57)59)80(121)93-61(76(117)101-74)24-13-14-26-86/h2-12,16-23,44,53,60-68,74,91,106-107H,13-15,24-43,45-52,86H2,1H3,(H,89,108)(H,92,109)(H,93,121)(H,94,118)(H,95,123)(H,96,119)(H,97,124)(H,98,120)(H,99,116)(H,100,122)(H,101,117)(H,110,111)(H,112,113)(H,114,115)(H,125,126)(H4,87,88,90)/t53-,60+,61+,62+,63+,64+,65-,66+,67+,68+,74+/m1/s1 | PDB
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST4 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM50158699
(CHEMBL414307 | [(N4-Bzdig)0]BB(7-14))Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C61H94N18O12S/c1-35(2)23-47(59(88)76-45(55(65)84)17-22-92-6)77-60(89)49(26-42-30-68-34-71-42)75-51(81)31-70-61(90)54(36(3)4)79-56(85)37(5)72-58(87)48(25-40-29-69-44-10-8-7-9-43(40)44)78-57(86)46(15-16-50(64)80)74-53(83)33-91-32-52(82)73-41-13-11-38(12-14-41)24-39(27-66-20-18-62)28-67-21-19-63/h7-14,29-30,34-37,39,45-49,54,66-67,69H,15-28,31-33,62-63H2,1-6H3,(H2,64,80)(H2,65,84)(H,68,71)(H,70,90)(H,72,87)(H,73,82)(H,74,83)(H,75,81)(H,76,88)(H,77,89)(H,78,86)(H,79,85)/t37-,45-,46-,47-,48-,49-,54-/m0/s1 | PDB
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of tachykinin receptor 3 expressed in human ileal carcinoid cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM50158702
(CHEMBL413893 | Universal ligand)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C57H76N14O11/c1-6-7-16-42(49(60)74)66-55(80)44(25-34-13-9-8-10-14-34)69-56(81)46(27-37-29-61-30-63-37)68-50(75)32(4)65-57(82)48(31(2)3)71-51(76)33(5)64-54(79)45(26-36-28-62-41-17-12-11-15-39(36)41)70-53(78)43(22-23-47(59)73)67-52(77)40(58)24-35-18-20-38(72)21-19-35/h8-15,17-21,28-33,40,42-46,48,62,72H,6-7,16,22-27,58H2,1-5H3,(H2,59,73)(H2,60,74)(H,61,63)(H,64,79)(H,65,82)(H,66,80)(H,67,77)(H,68,75)(H,69,81)(H,70,78)(H,71,76)/t32-,33-,40-,42-,43-,44-,45-,46-,48-/m0/s1 | PDB
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National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of tachykinin receptor 3 expressed in human ileal carcinoid cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50496015
(CHEMBL3122128)Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)CNC(=O)COCCOCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C81H111N17O23S2/c1-51(100)72-80(117)91-61(39-54-19-9-4-10-20-54)76(113)92-63(47-99)78(115)93-65(81(118)119)50-123-122-49-64(86-66(101)42-85-68(103)48-121-36-35-120-34-25-83-67(102)43-95-26-28-96(44-69(104)105)30-32-98(46-71(108)109)33-31-97(29-27-95)45-70(106)107)79(116)89-60(38-53-17-7-3-8-18-53)74(111)88-59(37-52-15-5-2-6-16-52)75(112)90-62(40-55-41-84-57-22-12-11-21-56(55)57)77(114)87-58(73(110)94-72)23-13-14-24-82/h2-12,15-22,41,51,58-65,72,84,99-100H,13-14,23-40,42-50,82H2,1H3,(H,83,102)(H,85,103)(H,86,101)(H,87,114)(H,88,111)(H,89,116)(H,90,112)(H,91,117)(H,92,113)(H,93,115)(H,94,110)(H,104,105)(H,106,107)(H,108,109)(H,118,119)/t51-,58+,59+,60+,61+,62-,63+,64+,65+,72+/m1/s1 | PDB
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INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST2 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50158702
(CHEMBL413893 | Universal ligand)Show SMILES CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C57H76N14O11/c1-6-7-16-42(49(60)74)66-55(80)44(25-34-13-9-8-10-14-34)69-56(81)46(27-37-29-61-30-63-37)68-50(75)32(4)65-57(82)48(31(2)3)71-51(76)33(5)64-54(79)45(26-36-28-62-41-17-12-11-15-39(36)41)70-53(78)43(22-23-47(59)73)67-52(77)40(58)24-35-18-20-38(72)21-19-35/h8-15,17-21,28-33,40,42-46,48,62,72H,6-7,16,22-27,58H2,1-5H3,(H2,59,73)(H2,60,74)(H,61,63)(H,64,79)(H,65,82)(H,66,80)(H,67,77)(H,68,75)(H,69,81)(H,70,78)(H,71,76)/t32-,33-,40-,42-,43-,44-,45-,46-,48-/m0/s1 | Reactome pathway
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National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of bombesin subtype 3 receptor expressed in human lung carcinoids |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50496015
(CHEMBL3122128)Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)CNC(=O)COCCOCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C81H111N17O23S2/c1-51(100)72-80(117)91-61(39-54-19-9-4-10-20-54)76(113)92-63(47-99)78(115)93-65(81(118)119)50-123-122-49-64(86-66(101)42-85-68(103)48-121-36-35-120-34-25-83-67(102)43-95-26-28-96(44-69(104)105)30-32-98(46-71(108)109)33-31-97(29-27-95)45-70(106)107)79(116)89-60(38-53-17-7-3-8-18-53)74(111)88-59(37-52-15-5-2-6-16-52)75(112)90-62(40-55-41-84-57-22-12-11-21-56(55)57)77(114)87-58(73(110)94-72)23-13-14-24-82/h2-12,15-22,41,51,58-65,72,84,99-100H,13-14,23-40,42-50,82H2,1H3,(H,83,102)(H,85,103)(H,86,101)(H,87,114)(H,88,111)(H,89,116)(H,90,112)(H,91,117)(H,92,113)(H,93,115)(H,94,110)(H,104,105)(H,106,107)(H,108,109)(H,118,119)/t51-,58+,59+,60+,61+,62-,63+,64+,65+,72+/m1/s1 | PDB
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INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST4 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158700
(CHEMBL266079 | [(N4-Bzdig)0,Nle14]BB(7-14))Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C62H96N18O12/c1-7-8-12-46(56(66)85)77-60(89)48(24-36(2)3)78-61(90)50(27-43-31-69-35-72-43)76-52(82)32-71-62(91)55(37(4)5)80-57(86)38(6)73-59(88)49(26-41-30-70-45-13-10-9-11-44(41)45)79-58(87)47(18-19-51(65)81)75-54(84)34-92-33-53(83)74-42-16-14-39(15-17-42)25-40(28-67-22-20-63)29-68-23-21-64/h9-11,13-17,30-31,35-38,40,46-50,55,67-68,70H,7-8,12,18-29,32-34,63-64H2,1-6H3,(H2,65,81)(H2,66,85)(H,69,72)(H,71,91)(H,73,88)(H,74,83)(H,75,84)(H,76,82)(H,77,89)(H,78,90)(H,79,87)(H,80,86)/t38-,46-,47-,48-,49-,50-,55-/m0/s1 | PDB
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National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of gastrin releasing peptide receptor expressed in human prostate cancer cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50496022
(CHEMBL3122130)Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C92H130N22O26S2/c1-53(98-74(120)46-111-31-33-112(47-75(121)122)35-37-114(49-77(125)126)38-36-113(34-32-111)48-76(123)124)80(127)97-45-73(119)99-70-51-141-142-52-71(92(139)140)108-88(135)69(50-115)107-91(138)79(55(3)117)110-87(134)66(41-58-23-11-6-12-24-58)106-90(137)78(54(2)116)109-82(129)63(28-16-18-30-94)100-85(132)67(42-59-44-96-61-26-14-13-25-60(59)61)104-84(131)65(40-57-21-9-5-10-22-57)102-83(130)64(39-56-19-7-4-8-20-56)103-86(133)68(43-72(95)118)105-81(128)62(101-89(70)136)27-15-17-29-93/h4-14,19-26,44,53-55,62-71,78-79,96,115-117H,15-18,27-43,45-52,93-94H2,1-3H3,(H2,95,118)(H,97,127)(H,98,120)(H,99,119)(H,100,132)(H,101,136)(H,102,130)(H,103,133)(H,104,131)(H,105,128)(H,106,137)(H,107,138)(H,108,135)(H,109,129)(H,110,134)(H,121,122)(H,123,124)(H,125,126)(H,139,140)/t53-,54+,55+,62-,63-,64-,65-,66-,67+,68-,69-,70-,71-,78-,79-/m0/s1 | PDB
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INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST2 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM50158698
(CHEMBL266078 | [N40,Pro1,Tyr4]BB)Show SMILES CSCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O Show InChI InChI=1S/C83H130N28O19S/c1-44(2)32-58(77(125)103-54(70(89)118)15-11-31-131-6)107-78(126)61(35-50-40-94-43-99-50)101-68(117)42-98-81(129)69(45(3)4)110-71(119)46(5)100-76(124)60(34-48-39-96-53-13-8-7-12-52(48)53)109-75(123)56(21-23-64(86)113)105-79(127)62(36-66(88)115)102-67(116)41-97-72(120)59(33-47-17-19-51(112)20-18-47)108-73(121)55(14-9-27-95-83(90)91)104-74(122)57(22-24-65(87)114)106-80(128)63-16-10-30-111(63)82(130)49(37-92-28-25-84)38-93-29-26-85/h7-8,12-13,17-20,39-40,43-46,49,54-63,69,92-93,96,112H,9-11,14-16,21-38,41-42,84-85H2,1-6H3,(H2,86,113)(H2,87,114)(H2,88,115)(H2,89,118)(H,94,99)(H,97,120)(H,98,129)(H,100,124)(H,101,117)(H,102,116)(H,103,125)(H,104,122)(H,105,127)(H,106,128)(H,107,126)(H,108,121)(H,109,123)(H,110,119)(H4,90,91,95)/t46-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63?,69-/m0/s1 | PDB
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of tachykinin receptor 3 expressed in human ileal carcinoid cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM81767
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r| Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1 | PDB
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INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST4 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50496020
(CHEMBL3122127)Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C92H130N24O26S2/c1-52(100-73(122)45-113-30-32-114(46-74(123)124)34-36-116(48-76(127)128)37-35-115(33-31-113)47-75(125)126)79(129)99-44-72(121)101-69-50-143-144-51-70(91(141)142)110-87(137)68(49-117)109-90(140)78(54(3)119)112-86(136)65(40-57-22-11-6-12-23-57)108-89(139)77(53(2)118)111-81(131)61(26-15-16-28-93)102-84(134)66(41-58-43-98-60-25-14-13-24-59(58)60)106-83(133)64(39-56-20-9-5-10-21-56)104-82(132)63(38-55-18-7-4-8-19-55)105-85(135)67(42-71(94)120)107-80(130)62(103-88(69)138)27-17-29-97-92(95)96/h4-14,18-25,43,52-54,61-70,77-78,98,117-119H,15-17,26-42,44-51,93H2,1-3H3,(H2,94,120)(H,99,129)(H,100,122)(H,101,121)(H,102,134)(H,103,138)(H,104,132)(H,105,135)(H,106,133)(H,107,130)(H,108,139)(H,109,140)(H,110,137)(H,111,131)(H,112,136)(H,123,124)(H,125,126)(H,127,128)(H,141,142)(H4,95,96,97)/t52-,53+,54+,61-,62-,63-,64-,65-,66+,67-,68-,69-,70+,77-,78-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST2 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM81767
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r| Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST1 receptor expressed in CHO cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50158697
(CHEMBL268222 | [N40,Pro1,Tyr4,Nle 14]BB)Show SMILES CCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O Show InChI InChI=1S/C84H132N28O19/c1-7-8-9-16-55(71(90)119)104-78(126)59(33-45(2)3)108-79(127)62(36-51-41-95-44-100-51)102-69(118)43-99-82(130)70(46(4)5)111-72(120)47(6)101-77(125)61(35-49-40-97-54-15-11-10-14-53(49)54)110-76(124)57(23-25-65(87)114)106-80(128)63(37-67(89)116)103-68(117)42-98-73(121)60(34-48-19-21-52(113)22-20-48)109-74(122)56(17-12-29-96-84(91)92)105-75(123)58(24-26-66(88)115)107-81(129)64-18-13-32-112(64)83(131)50(38-93-30-27-85)39-94-31-28-86/h10-11,14-15,19-22,40-41,44-47,50,55-64,70,93-94,97,113H,7-9,12-13,16-18,23-39,42-43,85-86H2,1-6H3,(H2,87,114)(H2,88,115)(H2,89,116)(H2,90,119)(H,95,100)(H,98,121)(H,99,130)(H,101,125)(H,102,118)(H,103,117)(H,104,126)(H,105,123)(H,106,128)(H,107,129)(H,108,127)(H,109,122)(H,110,124)(H,111,120)(H4,91,92,96)/t47-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64?,70-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.94 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of gastrin releasing peptide receptor expressed in human prostate cancer cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM50158700
(CHEMBL266079 | [(N4-Bzdig)0,Nle14]BB(7-14))Show SMILES CCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)COCC(=O)Nc1ccc(CC(CNCCN)CNCCN)cc1)C(C)C)C(N)=O Show InChI InChI=1S/C62H96N18O12/c1-7-8-12-46(56(66)85)77-60(89)48(24-36(2)3)78-61(90)50(27-43-31-69-35-72-43)76-52(82)32-71-62(91)55(37(4)5)80-57(86)38(6)73-59(88)49(26-41-30-70-45-13-10-9-11-44(41)45)79-58(87)47(18-19-51(65)81)75-54(84)34-92-33-53(83)74-42-16-14-39(15-17-42)25-40(28-67-22-20-63)29-68-23-21-64/h9-11,13-17,30-31,35-38,40,46-50,55,67-68,70H,7-8,12,18-29,32-34,63-64H2,1-6H3,(H2,65,81)(H2,66,85)(H,69,72)(H,71,91)(H,73,88)(H,74,83)(H,75,84)(H,76,82)(H,77,89)(H,78,90)(H,79,87)(H,80,86)/t38-,46-,47-,48-,49-,50-,55-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of tachykinin receptor 3 expressed in human ileal carcinoid cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50496022
(CHEMBL3122130)Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C92H130N22O26S2/c1-53(98-74(120)46-111-31-33-112(47-75(121)122)35-37-114(49-77(125)126)38-36-113(34-32-111)48-76(123)124)80(127)97-45-73(119)99-70-51-141-142-52-71(92(139)140)108-88(135)69(50-115)107-91(138)79(55(3)117)110-87(134)66(41-58-23-11-6-12-24-58)106-90(137)78(54(2)116)109-82(129)63(28-16-18-30-94)100-85(132)67(42-59-44-96-61-26-14-13-25-60(59)61)104-84(131)65(40-57-21-9-5-10-22-57)102-83(130)64(39-56-19-7-4-8-20-56)103-86(133)68(43-72(95)118)105-81(128)62(101-89(70)136)27-15-17-29-93/h4-14,19-26,44,53-55,62-71,78-79,96,115-117H,15-18,27-43,45-52,93-94H2,1-3H3,(H2,95,118)(H,97,127)(H,98,120)(H,99,119)(H,100,132)(H,101,136)(H,102,130)(H,103,133)(H,104,131)(H,105,128)(H,106,137)(H,107,138)(H,108,135)(H,109,129)(H,110,134)(H,121,122)(H,123,124)(H,125,126)(H,139,140)/t53-,54+,55+,62-,63-,64-,65-,66-,67+,68-,69-,70-,71-,78-,79-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST3 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50205990
(CHEMBL395429 | OXYTOCIN)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1 | PDB
Reactome pathway
KEGG
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CHEMBL
MCE
KEGG
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UniChem
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| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells |
Eur J Med Chem 42: 799-806 (2007)
Article DOI: 10.1016/j.ejmech.2006.12.016
BindingDB Entry DOI: 10.7270/Q2P55N5J |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50496020
(CHEMBL3122127)Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C92H130N24O26S2/c1-52(100-73(122)45-113-30-32-114(46-74(123)124)34-36-116(48-76(127)128)37-35-115(33-31-113)47-75(125)126)79(129)99-44-72(121)101-69-50-143-144-51-70(91(141)142)110-87(137)68(49-117)109-90(140)78(54(3)119)112-86(136)65(40-57-22-11-6-12-23-57)108-89(139)77(53(2)118)111-81(131)61(26-15-16-28-93)102-84(134)66(41-58-43-98-60-25-14-13-24-59(58)60)106-83(133)64(39-56-20-9-5-10-21-56)104-82(132)63(38-55-18-7-4-8-19-55)105-85(135)67(42-71(94)120)107-80(130)62(103-88(69)138)27-17-29-97-92(95)96/h4-14,18-25,43,52-54,61-70,77-78,98,117-119H,15-17,26-42,44-51,93H2,1-3H3,(H2,94,120)(H,99,129)(H,100,122)(H,101,121)(H,102,134)(H,103,138)(H,104,132)(H,105,135)(H,106,133)(H,107,130)(H,108,139)(H,109,140)(H,110,137)(H,111,131)(H,112,136)(H,123,124)(H,125,126)(H,127,128)(H,141,142)(H4,95,96,97)/t52-,53+,54+,61-,62-,63-,64-,65-,66+,67-,68-,69-,70+,77-,78-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST4 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM81767
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r| Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST3 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50496022
(CHEMBL3122130)Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C92H130N22O26S2/c1-53(98-74(120)46-111-31-33-112(47-75(121)122)35-37-114(49-77(125)126)38-36-113(34-32-111)48-76(123)124)80(127)97-45-73(119)99-70-51-141-142-52-71(92(139)140)108-88(135)69(50-115)107-91(138)79(55(3)117)110-87(134)66(41-58-23-11-6-12-24-58)106-90(137)78(54(2)116)109-82(129)63(28-16-18-30-94)100-85(132)67(42-59-44-96-61-26-14-13-25-60(59)61)104-84(131)65(40-57-21-9-5-10-22-57)102-83(130)64(39-56-19-7-4-8-20-56)103-86(133)68(43-72(95)118)105-81(128)62(101-89(70)136)27-15-17-29-93/h4-14,19-26,44,53-55,62-71,78-79,96,115-117H,15-18,27-43,45-52,93-94H2,1-3H3,(H2,95,118)(H,97,127)(H,98,120)(H,99,119)(H,100,132)(H,101,136)(H,102,130)(H,103,133)(H,104,131)(H,105,128)(H,106,137)(H,107,138)(H,108,135)(H,109,129)(H,110,134)(H,121,122)(H,123,124)(H,125,126)(H,139,140)/t53-,54+,55+,62-,63-,64-,65-,66-,67+,68-,69-,70-,71-,78-,79-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST4 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50496019
(CHEMBL3122123)Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](CO)C(=O)NCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C92H131N21O24S2/c1-4-5-28-64(99-74(116)47-96-81(126)56(2)98-75(117)49-110-34-36-111(50-77(120)121)38-40-113(52-79(124)125)41-39-112(37-35-110)51-78(122)123)83(128)100-65(30-17-19-32-93)84(129)107-72-54-138-139-55-73(91(136)106-71(53-114)82(127)97-48-76(118)119)108-88(133)69(44-60-25-13-8-14-26-60)105-92(137)80(57(3)115)109-85(130)66(31-18-20-33-94)101-89(134)70(45-61-46-95-63-29-16-15-27-62(61)63)104-87(132)67(42-58-21-9-6-10-22-58)102-86(131)68(103-90(72)135)43-59-23-11-7-12-24-59/h6-16,21-27,29,46,56-57,64-73,80,95,114-115H,4-5,17-20,28,30-45,47-55,93-94H2,1-3H3,(H,96,126)(H,97,127)(H,98,117)(H,99,116)(H,100,128)(H,101,134)(H,102,131)(H,103,135)(H,104,132)(H,105,137)(H,106,136)(H,107,129)(H,108,133)(H,109,130)(H,118,119)(H,120,121)(H,122,123)(H,124,125)/t56-,57+,64-,65-,66-,67-,68-,69-,70+,71-,72-,73-,80-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST4 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM81767
(15-28-Somatostatin-28 | CAS_38916-34-6 | CB6417646...)Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O |r| Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42+,43+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,62-,63-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST5 receptor expressed in HEK293 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50496017
(CHEMBL3122124)Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](CO)C(=O)NCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C92H131N21O24S2/c1-4-5-28-64(99-74(116)47-96-81(126)56(2)98-75(117)49-110-34-36-111(50-77(120)121)38-40-113(52-79(124)125)41-39-112(37-35-110)51-78(122)123)83(128)100-65(30-17-19-32-93)84(129)107-72-54-138-139-55-73(91(136)106-71(53-114)82(127)97-48-76(118)119)108-88(133)69(44-60-25-13-8-14-26-60)105-92(137)80(57(3)115)109-85(130)66(31-18-20-33-94)101-89(134)70(45-61-46-95-63-29-16-15-27-62(61)63)104-87(132)67(42-58-21-9-6-10-22-58)102-86(131)68(103-90(72)135)43-59-23-11-7-12-24-59/h6-16,21-27,29,46,56-57,64-73,80,95,114-115H,4-5,17-20,28,30-45,47-55,93-94H2,1-3H3,(H,96,126)(H,97,127)(H,98,117)(H,99,116)(H,100,128)(H,101,134)(H,102,131)(H,103,135)(H,104,132)(H,105,137)(H,106,136)(H,107,129)(H,108,133)(H,109,130)(H,118,119)(H,120,121)(H,122,123)(H,124,125)/t56-,57+,64-,65-,66-,67-,68-,69-,70+,71-,72+,73-,80-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST4 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Oxytocin receptor
(Homo sapiens (Human)) | BDBM50205997
(CHEMBL395290 | [Pip7]OT)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O Show InChI InChI=1S/C44H68N12O12S2/c1-5-23(4)36-43(67)50-27(13-14-33(46)58)39(63)52-30(18-34(47)59)40(64)54-31(21-70-69-20-26(45)37(61)51-29(41(65)55-36)17-24-9-11-25(57)12-10-24)44(68)56-15-7-6-8-32(56)42(66)53-28(16-22(2)3)38(62)49-19-35(48)60/h9-12,22-23,26-32,36,57H,5-8,13-21,45H2,1-4H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,62)(H,50,67)(H,51,61)(H,52,63)(H,53,66)(H,54,64)(H,55,65)/t23-,26-,27-,28-,29-,30-,31-,32-,36?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Patras
Curated by ChEMBL
| Assay Description
Displacement of [3H]OT from human OT receptor expressed in HEK cells |
Eur J Med Chem 42: 799-806 (2007)
Article DOI: 10.1016/j.ejmech.2006.12.016
BindingDB Entry DOI: 10.7270/Q2P55N5J |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50496019
(CHEMBL3122123)Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](CO)C(=O)NCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C92H131N21O24S2/c1-4-5-28-64(99-74(116)47-96-81(126)56(2)98-75(117)49-110-34-36-111(50-77(120)121)38-40-113(52-79(124)125)41-39-112(37-35-110)51-78(122)123)83(128)100-65(30-17-19-32-93)84(129)107-72-54-138-139-55-73(91(136)106-71(53-114)82(127)97-48-76(118)119)108-88(133)69(44-60-25-13-8-14-26-60)105-92(137)80(57(3)115)109-85(130)66(31-18-20-33-94)101-89(134)70(45-61-46-95-63-29-16-15-27-62(61)63)104-87(132)67(42-58-21-9-6-10-22-58)102-86(131)68(103-90(72)135)43-59-23-11-7-12-24-59/h6-16,21-27,29,46,56-57,64-73,80,95,114-115H,4-5,17-20,28,30-45,47-55,93-94H2,1-3H3,(H,96,126)(H,97,127)(H,98,117)(H,99,116)(H,100,128)(H,101,134)(H,102,131)(H,103,135)(H,104,132)(H,105,137)(H,106,136)(H,107,129)(H,108,133)(H,109,130)(H,118,119)(H,120,121)(H,122,123)(H,124,125)/t56-,57+,64-,65-,66-,67-,68-,69-,70+,71-,72-,73-,80-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST2 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Neuromedin-B receptor
(Homo sapiens (Human)) | BDBM50158697
(CHEMBL268222 | [N40,Pro1,Tyr4,Nle 14]BB)Show SMILES CCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)C1CCCN1C(=O)C(CNCCN)CNCCN)C(C)C)C(N)=O Show InChI InChI=1S/C84H132N28O19/c1-7-8-9-16-55(71(90)119)104-78(126)59(33-45(2)3)108-79(127)62(36-51-41-95-44-100-51)102-69(118)43-99-82(130)70(46(4)5)111-72(120)47(6)101-77(125)61(35-49-40-97-54-15-11-10-14-53(49)54)110-76(124)57(23-25-65(87)114)106-80(128)63(37-67(89)116)103-68(117)42-98-73(121)60(34-48-19-21-52(113)22-20-48)109-74(122)56(17-12-29-96-84(91)92)105-75(123)58(24-26-66(88)115)107-81(129)64-18-13-32-112(64)83(131)50(38-93-30-27-85)39-94-31-28-86/h10-11,14-15,19-22,40-41,44-47,50,55-64,70,93-94,97,113H,7-9,12-13,16-18,23-39,42-43,85-86H2,1-6H3,(H2,87,114)(H2,88,115)(H2,89,116)(H2,90,119)(H,95,100)(H,98,121)(H,99,130)(H,101,125)(H,102,118)(H,103,117)(H,104,126)(H,105,123)(H,106,128)(H,107,129)(H,108,127)(H,109,122)(H,110,124)(H,111,120)(H4,91,92,96)/t47-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64?,70-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11.2 | n/a | n/a | n/a | n/a | n/a | n/a |
National Center for Scientific Research Demokritos
Curated by ChEMBL
| Assay Description
Inhibition of tachykinin receptor 3 expressed in human ileal carcinoid cells |
J Med Chem 48: 100-10 (2005)
Article DOI: 10.1021/jm049437y
BindingDB Entry DOI: 10.7270/Q2DF6QQ6 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM50496022
(CHEMBL3122130)Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C92H130N22O26S2/c1-53(98-74(120)46-111-31-33-112(47-75(121)122)35-37-114(49-77(125)126)38-36-113(34-32-111)48-76(123)124)80(127)97-45-73(119)99-70-51-141-142-52-71(92(139)140)108-88(135)69(50-115)107-91(138)79(55(3)117)110-87(134)66(41-58-23-11-6-12-24-58)106-90(137)78(54(2)116)109-82(129)63(28-16-18-30-94)100-85(132)67(42-59-44-96-61-26-14-13-25-60(59)61)104-84(131)65(40-57-21-9-5-10-22-57)102-83(130)64(39-56-19-7-4-8-20-56)103-86(133)68(43-72(95)118)105-81(128)62(101-89(70)136)27-15-17-29-93/h4-14,19-26,44,53-55,62-71,78-79,96,115-117H,15-18,27-43,45-52,93-94H2,1-3H3,(H2,95,118)(H,97,127)(H,98,120)(H,99,119)(H,100,132)(H,101,136)(H,102,130)(H,103,133)(H,104,131)(H,105,128)(H,106,137)(H,107,138)(H,108,135)(H,109,129)(H,110,134)(H,121,122)(H,123,124)(H,125,126)(H,139,140)/t53-,54+,55+,62-,63-,64-,65-,66-,67+,68-,69-,70-,71-,78-,79-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST5 receptor expressed in HEK293 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM50496022
(CHEMBL3122130)Show SMILES [H][C@]1(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O)[C@@H](C)O |r| Show InChI InChI=1S/C92H130N22O26S2/c1-53(98-74(120)46-111-31-33-112(47-75(121)122)35-37-114(49-77(125)126)38-36-113(34-32-111)48-76(123)124)80(127)97-45-73(119)99-70-51-141-142-52-71(92(139)140)108-88(135)69(50-115)107-91(138)79(55(3)117)110-87(134)66(41-58-23-11-6-12-24-58)106-90(137)78(54(2)116)109-82(129)63(28-16-18-30-94)100-85(132)67(42-59-44-96-61-26-14-13-25-60(59)61)104-84(131)65(40-57-21-9-5-10-22-57)102-83(130)64(39-56-19-7-4-8-20-56)103-86(133)68(43-72(95)118)105-81(128)62(101-89(70)136)27-15-17-29-93/h4-14,19-26,44,53-55,62-71,78-79,96,115-117H,15-18,27-43,45-52,93-94H2,1-3H3,(H2,95,118)(H,97,127)(H,98,120)(H,99,119)(H,100,132)(H,101,136)(H,102,130)(H,103,133)(H,104,131)(H,105,128)(H,106,137)(H,107,138)(H,108,135)(H,109,129)(H,110,134)(H,121,122)(H,123,124)(H,125,126)(H,139,140)/t53-,54+,55+,62-,63-,64-,65-,66-,67+,68-,69-,70-,71-,78-,79-/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST1 receptor expressed in CHO cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM50496021
(CHEMBL3122129)Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COCCOCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C85H120N20O23S2/c1-53(107)74-83(124)97-64(42-56-20-9-4-10-21-56)79(120)98-66(49-106)81(122)100-68(84(125)126)52-130-129-51-67(99-75(116)60(25-15-27-90-85(87)88)92-70(109)50-128-39-38-127-37-28-89-69(108)45-102-29-31-103(46-71(110)111)33-35-105(48-73(114)115)36-34-104(32-30-102)47-72(112)113)82(123)95-63(41-55-18-7-3-8-19-55)77(118)94-62(40-54-16-5-2-6-17-54)78(119)96-65(43-57-44-91-59-23-12-11-22-58(57)59)80(121)93-61(76(117)101-74)24-13-14-26-86/h2-12,16-23,44,53,60-68,74,91,106-107H,13-15,24-43,45-52,86H2,1H3,(H,89,108)(H,92,109)(H,93,121)(H,94,118)(H,95,123)(H,96,119)(H,97,124)(H,98,120)(H,99,116)(H,100,122)(H,101,117)(H,110,111)(H,112,113)(H,114,115)(H,125,126)(H4,87,88,90)/t53-,60+,61+,62+,63+,64+,65-,66+,67+,68+,74+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST5 receptor expressed in HEK293 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50496020
(CHEMBL3122127)Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C92H130N24O26S2/c1-52(100-73(122)45-113-30-32-114(46-74(123)124)34-36-116(48-76(127)128)37-35-115(33-31-113)47-75(125)126)79(129)99-44-72(121)101-69-50-143-144-51-70(91(141)142)110-87(137)68(49-117)109-90(140)78(54(3)119)112-86(136)65(40-57-22-11-6-12-23-57)108-89(139)77(53(2)118)111-81(131)61(26-15-16-28-93)102-84(134)66(41-58-43-98-60-25-14-13-24-59(58)60)106-83(133)64(39-56-20-9-5-10-21-56)104-82(132)63(38-55-18-7-4-8-19-55)105-85(135)67(42-71(94)120)107-80(130)62(103-88(69)138)27-17-29-97-92(95)96/h4-14,18-25,43,52-54,61-70,77-78,98,117-119H,15-17,26-42,44-51,93H2,1-3H3,(H2,94,120)(H,99,129)(H,100,122)(H,101,121)(H,102,134)(H,103,138)(H,104,132)(H,105,135)(H,106,133)(H,107,130)(H,108,139)(H,109,140)(H,110,137)(H,111,131)(H,112,136)(H,123,124)(H,125,126)(H,127,128)(H,141,142)(H4,95,96,97)/t52-,53+,54+,61-,62-,63-,64-,65-,66+,67-,68-,69-,70+,77-,78-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST3 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50496019
(CHEMBL3122123)Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](CO)C(=O)NCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C92H131N21O24S2/c1-4-5-28-64(99-74(116)47-96-81(126)56(2)98-75(117)49-110-34-36-111(50-77(120)121)38-40-113(52-79(124)125)41-39-112(37-35-110)51-78(122)123)83(128)100-65(30-17-19-32-93)84(129)107-72-54-138-139-55-73(91(136)106-71(53-114)82(127)97-48-76(118)119)108-88(133)69(44-60-25-13-8-14-26-60)105-92(137)80(57(3)115)109-85(130)66(31-18-20-33-94)101-89(134)70(45-61-46-95-63-29-16-15-27-62(61)63)104-87(132)67(42-58-21-9-6-10-22-58)102-86(131)68(103-90(72)135)43-59-23-11-7-12-24-59/h6-16,21-27,29,46,56-57,64-73,80,95,114-115H,4-5,17-20,28,30-45,47-55,93-94H2,1-3H3,(H,96,126)(H,97,127)(H,98,117)(H,99,116)(H,100,128)(H,101,134)(H,102,131)(H,103,135)(H,104,132)(H,105,137)(H,106,136)(H,107,129)(H,108,133)(H,109,130)(H,118,119)(H,120,121)(H,122,123)(H,124,125)/t56-,57+,64-,65-,66-,67-,68-,69-,70+,71-,72-,73-,80-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST3 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 1
(Homo sapiens (Human)) | BDBM50496017
(CHEMBL3122124)Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)C(=O)N[C@@H](CO)C(=O)NCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCC)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C92H131N21O24S2/c1-4-5-28-64(99-74(116)47-96-81(126)56(2)98-75(117)49-110-34-36-111(50-77(120)121)38-40-113(52-79(124)125)41-39-112(37-35-110)51-78(122)123)83(128)100-65(30-17-19-32-93)84(129)107-72-54-138-139-55-73(91(136)106-71(53-114)82(127)97-48-76(118)119)108-88(133)69(44-60-25-13-8-14-26-60)105-92(137)80(57(3)115)109-85(130)66(31-18-20-33-94)101-89(134)70(45-61-46-95-63-29-16-15-27-62(61)63)104-87(132)67(42-58-21-9-6-10-22-58)102-86(131)68(103-90(72)135)43-59-23-11-7-12-24-59/h6-16,21-27,29,46,56-57,64-73,80,95,114-115H,4-5,17-20,28,30-45,47-55,93-94H2,1-3H3,(H,96,126)(H,97,127)(H,98,117)(H,99,116)(H,100,128)(H,101,134)(H,102,131)(H,103,135)(H,104,132)(H,105,137)(H,106,136)(H,107,129)(H,108,133)(H,109,130)(H,118,119)(H,120,121)(H,122,123)(H,124,125)/t56-,57+,64-,65-,66-,67-,68-,69-,70+,71-,72+,73-,80-/m0/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST1 receptor expressed in CHO cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50496015
(CHEMBL3122128)Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)CNC(=O)COCCOCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C81H111N17O23S2/c1-51(100)72-80(117)91-61(39-54-19-9-4-10-20-54)76(113)92-63(47-99)78(115)93-65(81(118)119)50-123-122-49-64(86-66(101)42-85-68(103)48-121-36-35-120-34-25-83-67(102)43-95-26-28-96(44-69(104)105)30-32-98(46-71(108)109)33-31-97(29-27-95)45-70(106)107)79(116)89-60(38-53-17-7-3-8-18-53)74(111)88-59(37-52-15-5-2-6-16-52)75(112)90-62(40-55-41-84-57-22-12-11-21-56(55)57)77(114)87-58(73(110)94-72)23-13-14-24-82/h2-12,15-22,41,51,58-65,72,84,99-100H,13-14,23-40,42-50,82H2,1H3,(H,83,102)(H,85,103)(H,86,101)(H,87,114)(H,88,111)(H,89,116)(H,90,112)(H,91,117)(H,92,113)(H,93,115)(H,94,110)(H,104,105)(H,106,107)(H,108,109)(H,118,119)/t51-,58+,59+,60+,61+,62-,63+,64+,65+,72+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST3 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 3
(Homo sapiens (Human)) | BDBM50496021
(CHEMBL3122129)Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)COCCOCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C85H120N20O23S2/c1-53(107)74-83(124)97-64(42-56-20-9-4-10-21-56)79(120)98-66(49-106)81(122)100-68(84(125)126)52-130-129-51-67(99-75(116)60(25-15-27-90-85(87)88)92-70(109)50-128-39-38-127-37-28-89-69(108)45-102-29-31-103(46-71(110)111)33-35-105(48-73(114)115)36-34-104(32-30-102)47-72(112)113)82(123)95-63(41-55-18-7-3-8-19-55)77(118)94-62(40-54-16-5-2-6-17-54)78(119)96-65(43-57-44-91-59-23-12-11-22-58(57)59)80(121)93-61(76(117)101-74)24-13-14-26-86/h2-12,16-23,44,53,60-68,74,91,106-107H,13-15,24-43,45-52,86H2,1H3,(H,89,108)(H,92,109)(H,93,121)(H,94,118)(H,95,123)(H,96,119)(H,97,124)(H,98,120)(H,99,116)(H,100,122)(H,101,117)(H,110,111)(H,112,113)(H,114,115)(H,125,126)(H4,87,88,90)/t53-,60+,61+,62+,63+,64+,65-,66+,67+,68+,74+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST3 receptor expressed in Chinese hamster CCL-39 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
Somatostatin receptor type 5
(Homo sapiens (Human)) | BDBM50496020
(CHEMBL3122127)Show SMILES [H][C@]1(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSSC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)[C@@H](C)O |r| Show InChI InChI=1S/C92H130N24O26S2/c1-52(100-73(122)45-113-30-32-114(46-74(123)124)34-36-116(48-76(127)128)37-35-115(33-31-113)47-75(125)126)79(129)99-44-72(121)101-69-50-143-144-51-70(91(141)142)110-87(137)68(49-117)109-90(140)78(54(3)119)112-86(136)65(40-57-22-11-6-12-23-57)108-89(139)77(53(2)118)111-81(131)61(26-15-16-28-93)102-84(134)66(41-58-43-98-60-25-14-13-24-59(58)60)106-83(133)64(39-56-20-9-5-10-21-56)104-82(132)63(38-55-18-7-4-8-19-55)105-85(135)67(42-71(94)120)107-80(130)62(103-88(69)138)27-17-29-97-92(95)96/h4-14,18-25,43,52-54,61-70,77-78,98,117-119H,15-17,26-42,44-51,93H2,1-3H3,(H2,94,120)(H,99,129)(H,100,122)(H,101,121)(H,102,134)(H,103,138)(H,104,132)(H,105,135)(H,106,133)(H,107,130)(H,108,139)(H,109,140)(H,110,137)(H,111,131)(H,112,136)(H,123,124)(H,125,126)(H,127,128)(H,141,142)(H4,95,96,97)/t52-,53+,54+,61-,62-,63-,64-,65-,66+,67-,68-,69-,70+,77-,78-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
INRASTES
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[LTT]-SS28 from human SST5 receptor expressed in HEK293 cells after 2 hrs by autoradiographic analysis |
Eur J Med Chem 73: 30-7 (2014)
Article DOI: 10.1016/j.ejmech.2013.12.003
BindingDB Entry DOI: 10.7270/Q25H7K75 |
More data for this
Ligand-Target Pair | |
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