Found 3 hits of Enzyme Inhibition Constant Data 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 |
|---|
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50279041
((2S)-N1-((5S,8S,11S,17S,20S,23S,26S,29S,35S,38S)-1...)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)CCCCCNC(=O)C(CS)NC(=O)CNC(=O)CN)C(C)C)C(N)=O |r,wU:34.35,82.92,8.12,53.61,wD:93.101,39.52,74.81,30.31,62.69,16.23,4.4,(45,-28.45,;43.67,-27.66,;43.68,-26.13,;42.36,-25.34,;42.37,-23.8,;41.04,-23.02,;39.7,-23.78,;39.69,-25.32,;38.37,-23,;38.39,-21.46,;39.73,-20.7,;39.74,-19.16,;41.05,-21.48,;37.03,-23.76,;35.7,-22.98,;35.72,-21.44,;34.36,-23.74,;34.35,-25.28,;35.68,-26.06,;37.1,-25.45,;38.11,-26.6,;37.33,-27.93,;35.83,-27.6,;33.03,-22.97,;31.69,-23.72,;31.67,-25.27,;30.35,-22.95,;29.01,-23.7,;27.68,-22.93,;27.69,-21.39,;26.34,-23.68,;25.01,-22.91,;23.67,-23.66,;23.65,-25.2,;22.34,-22.89,;22.35,-21.35,;21,-23.65,;19.67,-22.86,;19.68,-21.33,;18.33,-23.62,;18.32,-25.16,;19.64,-25.95,;21.06,-25.32,;22.08,-26.48,;21.31,-27.81,;21.76,-29.28,;20.72,-30.42,;19.22,-30.09,;18.76,-28.62,;19.8,-27.48,;17,-22.84,;15.66,-23.6,;15.65,-25.14,;14.33,-22.82,;14.34,-21.28,;15.69,-20.51,;15.7,-18.97,;14.36,-18.2,;17.04,-18.22,;12.99,-23.58,;11.66,-22.8,;11.67,-21.26,;10.32,-23.55,;10.31,-25.1,;11.64,-25.88,;12.97,-25.12,;11.62,-27.42,;8.99,-22.78,;7.65,-23.54,;7.63,-25.08,;6.31,-22.77,;4.97,-23.52,;3.63,-22.76,;3.64,-21.21,;2.29,-23.51,;2.28,-25.06,;3.61,-25.84,;3.59,-27.38,;4.95,-25.08,;.97,-22.72,;-.37,-23.48,;-.39,-25.02,;-1.7,-22.7,;-1.69,-21.16,;-.35,-20.39,;-.34,-18.86,;1,-18.09,;1.02,-16.55,;-.29,-15.77,;2.36,-15.79,;-3.04,-23.46,;-4.38,-22.7,;-4.37,-21.17,;-5.71,-23.46,;-5.72,-25,;-4.4,-25.78,;-4.41,-27.32,;-3.08,-28.1,;-5.75,-28.08,;-7.03,-22.68,;-8.37,-23.45,;-8.37,-24.99,;-9.71,-22.68,;-11.05,-23.45,;-12.39,-22.68,;-13.74,-23.45,;-15.08,-22.68,;-16.43,-23.45,;-17.76,-22.68,;-17.76,-21.14,;-19.09,-23.46,;-19.1,-25,;-20.44,-25.78,;-20.42,-22.69,;-21.2,-21.35,;-20.42,-20.01,;-22.75,-21.35,;-23.52,-22.69,;-24.87,-23.45,;-26.22,-22.66,;-24.89,-25,;-23.56,-25.79,;26.33,-25.23,;27.66,-26.01,;24.99,-25.99,;43.71,-23.04,;45.04,-23.82,;43.72,-21.5,)| Show InChI InChI=1S/C79H127N27O20S2/c1-40(2)27-52(103-71(119)49(17-14-25-89-79(85)86)101-72(120)50(19-21-58(81)107)96-61(110)18-10-9-13-24-88-70(118)57(38-127)99-63(112)35-91-62(111)32-80)69(117)92-36-64(113)98-56(31-60(83)109)77(125)102-51(20-22-59(82)108)73(121)105-54(29-44-33-90-47-16-12-11-15-46(44)47)74(122)95-43(7)68(116)106-66(42(5)6)78(126)93-37-65(114)97-55(30-45-34-87-39-94-45)76(124)104-53(28-41(3)4)75(123)100-48(67(84)115)23-26-128-8/h11-12,15-16,33-34,39-43,48-57,66,90,127H,9-10,13-14,17-32,35-38,80H2,1-8H3,(H2,81,107)(H2,82,108)(H2,83,109)(H2,84,115)(H,87,94)(H,88,118)(H,91,111)(H,92,117)(H,93,126)(H,95,122)(H,96,110)(H,97,114)(H,98,113)(H,99,112)(H,100,123)(H,101,120)(H,102,125)(H,103,119)(H,104,124)(H,105,121)(H,106,116)(H4,85,86,89)/t43-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57?,66-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.590 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutes of Radioisotopes-Radiodiagnostic Products and Biology
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr4]BN form BB2 receptor in human PC3 cells |
J Med Chem 52: 4234-46 (2009)
Article DOI: 10.1021/jm900360d
BindingDB Entry DOI: 10.7270/Q2BP02PD |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50279043
((S)-N1-((5S,8S,11S,17S,20S,23S,26S,29S,35S,38S)-11...)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](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)[C@@H](C)O)C(C)C)C(N)=O |r,wU:34.35,78.88,8.12,53.61,98.100,104.109,wD:89.97,39.52,74.77,30.31,62.69,16.23,4.4,(53.85,-12.22,;52.52,-11.43,;52.53,-9.89,;51.2,-9.11,;51.21,-7.57,;49.88,-6.79,;48.54,-7.55,;48.53,-9.09,;47.22,-6.77,;47.23,-5.23,;48.58,-4.46,;48.59,-2.93,;49.9,-5.25,;45.88,-7.53,;44.55,-6.75,;44.56,-5.21,;43.21,-7.51,;43.2,-9.05,;44.53,-9.83,;45.94,-9.22,;46.96,-10.37,;46.18,-11.7,;44.68,-11.36,;41.88,-6.74,;40.53,-7.49,;40.52,-9.03,;39.2,-6.72,;37.86,-7.47,;36.53,-6.7,;36.54,-5.15,;35.19,-7.45,;33.86,-6.68,;32.52,-7.43,;32.5,-8.97,;31.18,-6.66,;31.2,-5.12,;29.84,-7.41,;28.52,-6.63,;28.52,-5.09,;27.18,-7.39,;27.17,-8.93,;28.49,-9.72,;29.9,-9.09,;30.92,-10.25,;30.16,-11.58,;30.61,-13.05,;29.57,-14.19,;28.06,-13.86,;27.6,-12.39,;28.65,-11.25,;25.85,-6.61,;24.51,-7.36,;24.49,-8.9,;23.17,-6.59,;23.19,-5.05,;24.54,-4.28,;24.54,-2.74,;23.21,-1.97,;25.89,-1.98,;21.83,-7.35,;20.5,-6.57,;20.52,-5.02,;19.16,-7.32,;19.15,-8.87,;20.48,-9.65,;21.81,-8.89,;20.47,-11.19,;17.83,-6.55,;16.49,-7.3,;16.48,-8.85,;15.16,-6.53,;13.82,-7.29,;12.47,-6.53,;12.49,-4.98,;11.14,-7.28,;9.81,-6.49,;8.47,-7.24,;8.46,-8.78,;7.15,-6.47,;7.16,-4.93,;8.49,-4.16,;8.51,-2.62,;9.85,-1.86,;9.87,-.32,;8.55,.47,;11.2,.44,;5.81,-7.23,;4.47,-6.47,;4.47,-4.93,;3.14,-7.23,;3.12,-8.77,;4.45,-9.55,;4.43,-11.09,;5.76,-11.87,;3.09,-11.85,;1.81,-6.44,;.47,-7.2,;.45,-8.74,;-.85,-6.41,;-1,-4.88,;-2.51,-4.54,;-3.29,-5.87,;-4.82,-6.01,;-2.27,-7.03,;11.12,-8.83,;12.45,-9.6,;9.78,-9.59,;35.17,-9,;36.51,-9.78,;33.83,-9.76,;52.56,-6.81,;53.88,-7.59,;52.57,-5.27,)| Show InChI InChI=1S/C69H106N24O19S/c1-32(2)23-45(64(108)86-40(57(73)101)20-22-113-7)90-65(109)47(25-37-28-76-31-81-37)84-53(99)29-79-67(111)55(33(3)4)92-58(102)34(5)82-63(107)46(24-36-27-78-39-12-9-8-11-38(36)39)91-61(105)44(15-18-50(71)96)89-66(110)48(26-51(72)97)85-54(100)30-80-68(112)56(35(6)94)93-62(106)41(13-10-21-77-69(74)75)87-60(104)43(14-17-49(70)95)88-59(103)42-16-19-52(98)83-42/h8-9,11-12,27-28,31-35,40-48,55-56,78,94H,10,13-26,29-30H2,1-7H3,(H2,70,95)(H2,71,96)(H2,72,97)(H2,73,101)(H,76,81)(H,79,111)(H,80,112)(H,82,107)(H,83,98)(H,84,99)(H,85,100)(H,86,108)(H,87,104)(H,88,103)(H,89,110)(H,90,109)(H,91,105)(H,92,102)(H,93,106)(H4,74,75,77)/t34-,35+,40-,41-,42-,43-,44-,45-,46-,47-,48-,55-,56-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.24 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutes of Radioisotopes-Radiodiagnostic Products and Biology
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr4]BN form BB2 receptor in human PC3 cells |
J Med Chem 52: 4234-46 (2009)
Article DOI: 10.1021/jm900360d
BindingDB Entry DOI: 10.7270/Q2BP02PD |
More data for this
Ligand-Target Pair | |
Gastrin-releasing peptide receptor
(Homo sapiens (Human)) | BDBM50279042
((2S)-N1-((5S,8S,11S,17S,20S,23S)-11-((1H-imidazol-...)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)CCCCCNC(=O)C(CS)NC(=O)CNC(=O)CN)C(C)C)C(N)=O |r| Show InChI InChI=1S/C56H87N17O13S2/c1-30(2)20-39(54(84)70-37(49(59)79)17-19-88-6)71-55(85)41(22-34-25-60-29-65-34)68-47(78)27-64-56(86)48(31(3)4)73-50(80)32(5)66-53(83)40(21-33-24-62-36-13-10-9-12-35(33)36)72-52(82)38(15-16-43(58)74)67-44(75)14-8-7-11-18-61-51(81)42(28-87)69-46(77)26-63-45(76)23-57/h9-10,12-13,24-25,29-32,37-42,48,62,87H,7-8,11,14-23,26-28,57H2,1-6H3,(H2,58,74)(H2,59,79)(H,60,65)(H,61,81)(H,63,76)(H,64,86)(H,66,83)(H,67,75)(H,68,78)(H,69,77)(H,70,84)(H,71,85)(H,72,82)(H,73,80)/t32-,37-,38-,39-,40-,41-,42?,48-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.45 | n/a | n/a | n/a | n/a | n/a | n/a |
Institutes of Radioisotopes-Radiodiagnostic Products and Biology
Curated by ChEMBL
| Assay Description
Displacement of [125I-Tyr4]BN form BB2 receptor in human PC3 cells |
J Med Chem 52: 4234-46 (2009)
Article DOI: 10.1021/jm900360d
BindingDB Entry DOI: 10.7270/Q2BP02PD |
More data for this
Ligand-Target Pair | |
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