Found 4 hits of ic50 data for polymerid = 50006585 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Apelin
(Rattus norvegicus) | BDBM50009575
(CHEMBL3234446)Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C96H156N34O20S/c1-55(2)47-67(83(140)127-71(53-131)86(143)125-69(50-58-51-109-54-115-58)85(142)116-60(26-11-13-38-98)78(135)114-52-76(133)128-43-18-31-72(128)87(144)122-66(36-46-151-3)91(148)130-45-20-33-74(130)89(146)126-70(92(149)150)49-57-23-8-5-9-24-57)124-81(138)63(29-16-41-112-95(105)106)120-88(145)73-32-19-44-129(73)90(147)65(30-17-42-113-96(107)108)121-82(139)64(34-35-75(100)132)119-80(137)61(27-14-39-110-93(101)102)117-79(136)62(28-15-40-111-94(103)104)118-84(141)68(48-56-21-6-4-7-22-56)123-77(134)59(99)25-10-12-37-97/h4-9,21-24,51,54-55,59-74,131H,10-20,25-50,52-53,97-99H2,1-3H3,(H2,100,132)(H,109,115)(H,114,135)(H,116,142)(H,117,136)(H,118,141)(H,119,137)(H,120,145)(H,121,139)(H,122,144)(H,123,134)(H,124,138)(H,125,143)(H,126,146)(H,127,140)(H,149,150)(H4,101,102,110)(H4,103,104,111)(H4,105,106,112)(H4,107,108,113)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description
Agonist activity at rat apelin receptor expressed in CHO cell membranes coexpressing EGFP assessed as inhibition of forskolin-induced cAMP production... |
J Med Chem 57: 2908-19 (2014)
Article DOI: 10.1021/jm401789v
BindingDB Entry DOI: 10.7270/Q21J9C9F |
More data for this
Ligand-Target Pair | |
Apelin
(Rattus norvegicus) | BDBM50009560
(CHEMBL3234454)Show SMILES [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CCN(CC)c1ccc(cc1)C(=C1C=CC(C=C1)=[N+](CC)CC)c1ccc(cc1S([O-])(=O)=O)S(=O)(=O)NCCCC[C@H](NC(=O)Cc1csc(=[NH2+])n1C)C(=O)N[C@@H](Cc1cn(Cc2ccccc2)c[n+]1C)C(=O)NC1CC[NH+](C)CC1 |r,wU:77.78,wD:62.61,c:32,35,(42.23,-24.66,;40.91,-23.9,;40.91,-22.37,;39.59,-24.66,;38.27,-23.9,;39.59,-26.19,;38.26,-25.42,;20.73,-28.11,;19.41,-27.35,;19.41,-25.82,;18.09,-28.11,;16.76,-28.86,;18.09,-29.63,;16.76,-27.35,;12.36,-19.74,;11.03,-18.97,;11.03,-17.45,;9.71,-19.74,;9.71,-21.26,;8.39,-20.49,;8.39,-18.97,;16.42,-2.4,;17.75,-3.16,;17.76,-4.7,;16.44,-5.48,;16.45,-7.02,;19.1,-5.46,;20.43,-4.68,;21.77,-5.44,;21.78,-6.99,;20.45,-7.77,;19.11,-7.01,;23.11,-7.74,;24.44,-6.95,;25.77,-7.7,;27.08,-6.93,;27.07,-5.4,;25.74,-4.65,;24.43,-5.42,;28.39,-4.61,;29.73,-5.37,;31.06,-4.58,;28.38,-3.07,;27.03,-2.32,;23.13,-9.28,;21.8,-10.07,;21.82,-11.61,;23.16,-12.36,;24.49,-11.58,;24.47,-10.04,;25.8,-9.25,;24.45,-8.5,;27.12,-8.47,;27.14,-10.01,;23.18,-13.9,;22.42,-15.24,;21.64,-13.91,;24.52,-14.65,;24.51,-16.2,;25.85,-16.97,;25.85,-18.51,;27.18,-19.28,;27.18,-20.82,;28.51,-21.59,;29.85,-20.82,;29.85,-19.28,;31.18,-21.59,;32.51,-20.82,;32.67,-19.29,;34.18,-18.97,;34.95,-20.3,;36.48,-20.46,;33.92,-21.44,;34.31,-22.93,;25.85,-21.59,;25.85,-23.13,;24.51,-20.82,;23.18,-21.59,;23.18,-23.13,;24.36,-24.12,;25.83,-23.66,;26.72,-24.92,;28.23,-25.19,;28.76,-26.64,;27.76,-27.81,;28.28,-29.26,;29.8,-29.53,;30.79,-28.34,;30.27,-26.9,;25.79,-26.15,;24.33,-25.65,;23.23,-26.74,;21.85,-20.82,;21.85,-19.28,;20.51,-21.59,;19.18,-20.82,;17.84,-21.59,;16.51,-20.81,;16.51,-19.27,;15.42,-18.17,;17.85,-18.51,;19.18,-19.28,)| Show InChI InChI=1S/C59H77N11O8S3.3C2HF3O2/c1-8-69(9-2)46-24-20-43(21-25-46)56(44-22-26-47(27-23-44)70(10-3)11-4)51-29-28-50(37-54(51)81(76,77)78)80(74,75)61-32-16-15-19-52(63-55(71)36-49-40-79-59(60)67(49)7)57(72)64-53(58(73)62-45-30-33-65(5)34-31-45)35-48-39-68(41-66(48)6)38-42-17-13-12-14-18-42;3*3-2(4,5)1(6)7/h12-14,17-18,20-29,37,39-41,45,52-53,60-61H,8-11,15-16,19,30-36,38H2,1-7H3,(H2-2,62,63,64,71,72,73,76,77,78);3*(H,6,7)/t52-,53-;;;/m0.../s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description
Agonist activity at rat apelin receptor expressed in CHO cell membranes coexpressing EGFP assessed as inhibition of forskolin-induced cAMP production... |
J Med Chem 57: 2908-19 (2014)
Article DOI: 10.1021/jm401789v
BindingDB Entry DOI: 10.7270/Q21J9C9F |
More data for this
Ligand-Target Pair | |
Apelin
(Rattus norvegicus) | BDBM50009559
(CHEMBL3234453)Show SMILES [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCC[C@H](NC(=O)Cc3csc(=[NH2+])n3C)C(=O)N[C@@H](Cc3cn(Cc4ccccc4)c[n+]3C)C(=O)NC3CC[NH+](C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:64.63,wD:49.46,(33.95,-24.02,;32.63,-23.26,;32.63,-21.73,;31.31,-24.02,;29.98,-23.26,;31.31,-25.55,;29.98,-24.78,;11.46,-28.95,;10.14,-28.18,;10.14,-26.66,;8.82,-28.95,;7.49,-28.18,;8.82,-30.47,;7.49,-29.7,;2.43,-19.75,;1.11,-18.99,;1.11,-17.47,;-.21,-19.75,;-1.53,-18.99,;-.21,-21.28,;-1.54,-20.51,;7.43,-2.06,;8.76,-2.82,;8.77,-4.36,;7.45,-5.14,;7.46,-6.68,;10.11,-5.12,;10.12,-6.67,;11.46,-7.43,;12.78,-6.65,;14.12,-7.4,;14.14,-8.94,;12.81,-9.74,;12.83,-11.27,;14.17,-12.02,;15.5,-11.24,;15.48,-9.7,;16.81,-8.92,;15.46,-8.17,;18.13,-8.13,;18.15,-9.67,;14.19,-13.56,;12.65,-13.58,;13.43,-14.9,;15.53,-14.32,;15.52,-15.86,;16.86,-16.63,;16.86,-18.17,;18.19,-18.94,;18.19,-20.48,;19.52,-21.25,;20.86,-20.48,;20.86,-18.94,;22.19,-21.25,;23.52,-20.48,;23.68,-18.95,;25.19,-18.63,;25.96,-19.96,;27.49,-20.13,;24.93,-21.11,;25.32,-22.59,;16.86,-21.25,;16.86,-22.79,;15.52,-20.48,;14.19,-21.25,;14.19,-22.79,;15.37,-23.78,;16.84,-23.32,;17.73,-24.58,;19.24,-24.86,;19.76,-26.3,;21.28,-26.56,;21.8,-28.01,;20.81,-29.19,;19.29,-28.92,;18.77,-27.47,;16.8,-25.82,;15.34,-25.32,;14.24,-26.4,;12.85,-20.48,;12.85,-18.94,;11.52,-21.25,;10.19,-20.48,;10.19,-18.94,;8.86,-18.17,;7.52,-18.94,;6.43,-17.83,;7.52,-20.48,;8.85,-21.26,;15.45,-6.61,;16.77,-7.37,;18.09,-6.6,;18.08,-5.06,;16.75,-4.31,;15.44,-5.09,;14.1,-4.33,;12.78,-5.11,;11.44,-4.34,;19.4,-4.28,;20.74,-5.03,;22.07,-4.25,;19.39,-2.74,;18.04,-1.98,)| Show InChI InChI=1S/C59H75N11O9S3.3C2HF3O2/c1-8-69(9-2)42-20-23-47-52(32-42)79-53-33-43(70(10-3)11-4)21-24-48(53)56(47)49-25-22-46(35-54(49)82(76,77)78)81(74,75)61-28-16-15-19-50(63-55(71)34-45-38-80-59(60)67(45)7)57(72)64-51(58(73)62-41-26-29-65(5)30-27-41)31-44-37-68(39-66(44)6)36-40-17-13-12-14-18-40;3*3-2(4,5)1(6)7/h12-14,17-18,20-25,32-33,35,37-39,41,50-51,60-61H,8-11,15-16,19,26-31,34,36H2,1-7H3,(H2-2,62,63,64,71,72,73,76,77,78);3*(H,6,7)/t50-,51-;;;/m0.../s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description
Agonist activity at rat apelin receptor expressed in CHO cell membranes coexpressing EGFP assessed as inhibition of forskolin-induced cAMP production... |
J Med Chem 57: 2908-19 (2014)
Article DOI: 10.1021/jm401789v
BindingDB Entry DOI: 10.7270/Q21J9C9F |
More data for this
Ligand-Target Pair | |
Apelin
(Rattus norvegicus) | BDBM50009576
(CHEMBL3234447)Show SMILES CCN(CC)c1ccc2c(-c3ccc(cc3S([O-])(=O)=O)S(=O)(=O)NCCCCCCCCCCCCNC(=O)NCCCC[C@H](NC(=O)Cc3csc(=[NH2+])n3C)C(=O)N[C@@H](Cc3cn(Cc4ccccc4)c[n+]3C)C(=O)NC3CC[NH+](C)CC3)c3ccc(cc3oc2c1)=[N+](CC)CC |r,wU:59.61,wD:44.44,(40.79,-.36,;40.78,-1.9,;39.44,-2.66,;38.11,-1.89,;36.78,-2.65,;39.44,-4.2,;38.09,-4.97,;38.09,-6.51,;39.42,-7.28,;39.42,-8.82,;38.09,-9.59,;36.74,-8.82,;35.42,-9.59,;35.42,-11.12,;36.75,-11.9,;38.09,-11.13,;39.42,-11.9,;39.41,-10.35,;40.75,-12.67,;39.42,-13.44,;34.09,-11.89,;32.55,-11.89,;33.32,-10.56,;34.09,-13.43,;32.75,-14.2,;31.42,-13.43,;30.09,-14.2,;28.75,-13.43,;27.42,-14.2,;26.08,-13.43,;24.75,-14.2,;23.42,-13.43,;22.08,-14.2,;20.75,-13.43,;19.42,-14.2,;18.08,-13.43,;16.75,-14.2,;15.41,-13.43,;15.41,-11.89,;14.08,-14.2,;14.08,-15.74,;15.41,-16.51,;15.41,-18.05,;16.75,-18.82,;16.75,-20.36,;18.08,-21.13,;19.42,-20.36,;19.42,-18.82,;20.75,-21.13,;22.08,-20.36,;22.24,-18.83,;23.75,-18.51,;24.52,-19.84,;26.05,-20.01,;23.49,-20.99,;23.47,-22.53,;15.41,-21.13,;15.41,-22.67,;14.08,-20.36,;12.75,-21.13,;12.75,-22.67,;13.93,-23.66,;15.4,-23.2,;16.28,-24.46,;17.8,-24.74,;18.32,-26.18,;17.33,-27.35,;17.85,-28.8,;19.37,-29.07,;20.36,-27.89,;19.83,-26.44,;15.36,-25.69,;13.9,-25.2,;12.56,-25.96,;11.41,-20.36,;11.41,-18.82,;10.08,-21.13,;8.75,-20.36,;8.75,-18.82,;7.42,-18.05,;6.08,-18.82,;4.99,-17.71,;6.08,-20.36,;7.41,-21.14,;40.76,-9.58,;40.75,-11.11,;42.07,-11.88,;43.4,-11.11,;43.4,-9.59,;42.09,-8.83,;42.09,-7.29,;40.76,-6.52,;40.77,-4.98,;44.73,-11.88,;44.74,-13.42,;46.07,-14.19,;46.07,-11.11,;46.07,-9.57,)| Show InChI InChI=1S/C72H101N13O10S3/c1-8-84(9-2)54-30-33-59-64(44-54)95-65-45-55(85(10-3)11-4)31-34-60(65)68(59)61-35-32-58(47-66(61)98(92,93)94)97(90,91)76-40-25-19-17-15-13-12-14-16-18-24-38-74-72(89)75-39-26-23-29-62(78-67(86)46-57-50-96-71(73)82(57)7)69(87)79-63(70(88)77-53-36-41-80(5)42-37-53)43-56-49-83(51-81(56)6)48-52-27-21-20-22-28-52/h20-22,27-28,30-35,44-45,47,49-51,53,62-63,73,76H,8-19,23-26,29,36-43,46,48H2,1-7H3,(H4-2,74,75,77,78,79,86,87,88,89,92,93,94)/p+3/t62-,63-/m0/s1 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
UMR7200 CNRS/Universit£ de Strasbourg
Curated by ChEMBL
| Assay Description
Agonist activity at rat apelin receptor expressed in CHO cell membranes coexpressing EGFP assessed as inhibition of forskolin-induced cAMP production... |
J Med Chem 57: 2908-19 (2014)
Article DOI: 10.1021/jm401789v
BindingDB Entry DOI: 10.7270/Q21J9C9F |
More data for this
Ligand-Target Pair | |
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