Found 1247 hits with Last Name = 'panek' and Initial = 'rl' 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 |
|---|
Type-1 angiotensin II receptor A
(RAT) | BDBM82259
(CAS_123856 | L-158,809 | NSC_123856)Show SMILES CCc1nc2c(C)cc(C)nc2n1-c1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C23H21N7/c1-4-20-25-21-14(2)13-15(3)24-23(21)30(20)17-11-9-16(10-12-17)18-7-5-6-8-19(18)22-26-28-29-27-22/h5-13H,4H2,1-3H3,(H,26,27,28,29) | PDB
Reactome pathway
KEGG
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GoogleScholar
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| PC cid
PC sid
UniChem
| PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 963-9 (1995)
BindingDB Entry DOI: 10.7270/Q2J38R2N |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(RAT) | BDBM50009338
((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(d...)Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O |r,wU:60.63,wD:24.23,36.36,43.43,56.59,17.16,6.5,(6.84,-31.4,;5.3,-31.4,;4.53,-30.07,;2.99,-30.07,;2.22,-31.4,;2.22,-28.73,;2.99,-27.4,;4.53,-27.4,;5.3,-26.07,;4.53,-24.73,;5.3,-23.4,;6.84,-23.4,;7.61,-24.73,;7.61,-22.07,;2.22,-26.07,;2.99,-24.73,;.68,-26.07,;-.09,-24.73,;.68,-23.4,;2.22,-23.4,;-.09,-22.07,;-1.63,-24.73,;-2.4,-23.4,;-2.4,-26.07,;-3.94,-26.07,;-4.71,-24.73,;-6.25,-24.73,;-7.02,-23.4,;-8.56,-23.4,;-9.33,-24.73,;-10.87,-24.73,;-8.56,-26.07,;-7.02,-26.07,;-4.71,-27.4,;-6.25,-27.4,;-3.94,-28.73,;-4.71,-30.07,;-6.25,-30.07,;-7.02,-28.73,;-7.02,-31.4,;-3.94,-31.4,;-2.4,-31.4,;-4.71,-32.73,;-3.94,-34.07,;-4.71,-35.4,;-6.25,-35.4,;-7.15,-34.16,;-8.62,-34.63,;-8.62,-36.17,;-7.15,-36.65,;-2.4,-34.07,;-1.63,-32.73,;-1.63,-35.4,;-2.26,-36.81,;-1.12,-37.84,;.22,-37.07,;-.1,-35.56,;.93,-34.42,;.45,-32.95,;2.42,-34.82,;3.5,-33.73,;3.11,-32.24,;5,-34.13,;6.09,-33.04,;5.39,-35.61,)| Show InChI InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1 | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 963-9 (1995)
BindingDB Entry DOI: 10.7270/Q2J38R2N |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A
(RAT) | BDBM50009338
((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(d...)Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O |r,wU:60.63,wD:24.23,36.36,43.43,56.59,17.16,6.5,(6.84,-31.4,;5.3,-31.4,;4.53,-30.07,;2.99,-30.07,;2.22,-31.4,;2.22,-28.73,;2.99,-27.4,;4.53,-27.4,;5.3,-26.07,;4.53,-24.73,;5.3,-23.4,;6.84,-23.4,;7.61,-24.73,;7.61,-22.07,;2.22,-26.07,;2.99,-24.73,;.68,-26.07,;-.09,-24.73,;.68,-23.4,;2.22,-23.4,;-.09,-22.07,;-1.63,-24.73,;-2.4,-23.4,;-2.4,-26.07,;-3.94,-26.07,;-4.71,-24.73,;-6.25,-24.73,;-7.02,-23.4,;-8.56,-23.4,;-9.33,-24.73,;-10.87,-24.73,;-8.56,-26.07,;-7.02,-26.07,;-4.71,-27.4,;-6.25,-27.4,;-3.94,-28.73,;-4.71,-30.07,;-6.25,-30.07,;-7.02,-28.73,;-7.02,-31.4,;-3.94,-31.4,;-2.4,-31.4,;-4.71,-32.73,;-3.94,-34.07,;-4.71,-35.4,;-6.25,-35.4,;-7.15,-34.16,;-8.62,-34.63,;-8.62,-36.17,;-7.15,-36.65,;-2.4,-34.07,;-1.63,-32.73,;-1.63,-35.4,;-2.26,-36.81,;-1.12,-37.84,;.22,-37.07,;-.1,-35.56,;.93,-34.42,;.45,-32.95,;2.42,-34.82,;3.5,-33.73,;3.11,-32.24,;5,-34.13,;6.09,-33.04,;5.39,-35.61,)| Show InChI InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1 | PDB
Reactome pathway
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| 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 963-9 (1995)
BindingDB Entry DOI: 10.7270/Q2J38R2N |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A
(RAT) | BDBM50011977
((E)-2-butyl-1-(p-carboxybenzyl)-alpha-2-thenylimid...)Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+ | PDB
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| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 963-9 (1995)
BindingDB Entry DOI: 10.7270/Q2J38R2N |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A
(RAT) | BDBM82258
(CAS_114798-26-4 | Losartan | NSC_3961)Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28) | PDB
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| 12.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 963-9 (1995)
BindingDB Entry DOI: 10.7270/Q2J38R2N |
More data for this
Ligand-Target Pair | |
Fibroblast growth factor receptor 1
(Homo sapiens (Human)) | BDBM3443
(1-[2-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyr...)Show SMILES COc1cc(OC)cc(c1)-c1cc2cnc(N)nc2nc1NC(=O)NC(C)(C)C Show InChI InChI=1S/C20H24N6O3/c1-20(2,3)26-19(27)25-17-15(8-12-10-22-18(21)24-16(12)23-17)11-6-13(28-4)9-14(7-11)29-5/h6-10H,1-5H3,(H4,21,22,23,24,25,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
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| 45.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 286: 569-77 (1998)
BindingDB Entry DOI: 10.7270/Q2C24TZQ |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(RAT) | BDBM82259
(CAS_123856 | L-158,809 | NSC_123856)Show SMILES CCc1nc2c(C)cc(C)nc2n1-c1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C23H21N7/c1-4-20-25-21-14(2)13-15(3)24-23(21)30(20)17-11-9-16(10-12-17)18-7-5-6-8-19(18)22-26-28-29-27-22/h5-13H,4H2,1-3H3,(H,26,27,28,29) | PDB
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| PC cid
PC sid
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 963-9 (1995)
BindingDB Entry DOI: 10.7270/Q2J38R2N |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(RAT) | BDBM82258
(CAS_114798-26-4 | Losartan | NSC_3961)Show SMILES CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 Show InChI InChI=1S/C22H23ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 963-9 (1995)
BindingDB Entry DOI: 10.7270/Q2J38R2N |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(RAT) | BDBM50044576
(2-Propyl-3-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmet...)Show SMILES CCCc1nc(c(C(O)=O)n1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1)-n1cccc1C(=O)C(F)(F)F Show InChI InChI=1S/C27H22F3N7O3/c1-2-6-21-31-25(36-14-5-9-20(36)23(38)27(28,29)30)22(26(39)40)37(21)15-16-10-12-17(13-11-16)18-7-3-4-8-19(18)24-32-34-35-33-24/h3-5,7-14H,2,6,15H2,1H3,(H,39,40)(H,32,33,34,35) | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 963-9 (1995)
BindingDB Entry DOI: 10.7270/Q2J38R2N |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(RAT) | BDBM50011977
((E)-2-butyl-1-(p-carboxybenzyl)-alpha-2-thenylimid...)Show SMILES CCCCc1ncc(\C=C(/Cc2cccs2)C(O)=O)n1Cc1ccc(cc1)C(O)=O Show InChI InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+ | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 272: 963-9 (1995)
BindingDB Entry DOI: 10.7270/Q2J38R2N |
More data for this
Ligand-Target Pair | |
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50000558
(CHEMBL437472 | ET-1 | Endothelin -1 | Endothelin 1...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](CO)C(=O)N[C@H]2CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64+,66-,67-,68-,69+,70-,71-,72+,73-,74+,75-,76-,77+,78-,79+,80-,81-,82+,86-,87-,88-/m0/s1 | PDB
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| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of ET-1 binding to Endothelin A receptor in cultured rabbit renal artery vascular smooth muscle cells |
J Med Chem 35: 3301-3 (1992)
BindingDB Entry DOI: 10.7270/Q21C1XGJ |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50048114
(CHEMBL384352 | c[Sar1-Arg2-Mpt3-Tyr4-Hcy5-His6-Pro...)Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C47H63N13O10S2/c1-50-24-39(62)54-33(9-5-16-52-47(48)49)44(67)60-25-31-22-38(60)43(66)56-34(19-28-11-13-30(61)14-12-28)41(64)55-32(15-18-71-72-31)40(63)57-35(21-29-23-51-26-53-29)45(68)59-17-6-10-37(59)42(65)58-36(46(69)70)20-27-7-3-2-4-8-27/h2-4,7-8,11-14,23,26,31-38,50,61H,5-6,9-10,15-22,24-25H2,1H3,(H,51,53)(H,54,62)(H,55,64)(H,56,66)(H,57,63)(H,58,65)(H,69,70)(H4,48,49,52)/t31-,32+,33+,34+,35+,36+,37+,38+/m1/s1 | PDB
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| n/a | n/a | 0.470 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus. |
J Med Chem 36: 1902-13 (1993)
BindingDB Entry DOI: 10.7270/Q2N58KF4 |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50048119
(CHEMBL385283 | c[Sar1-Arg2-Hcy3-Tyr4-MPt5-His6-Pro...)Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCSS[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C47H63N13O10S2/c1-50-24-39(62)54-32(9-5-16-52-47(48)49)40(63)55-33-15-18-71-72-31-22-38(60(25-31)45(68)34(56-41(33)64)19-28-11-13-30(61)14-12-28)43(66)57-35(21-29-23-51-26-53-29)44(67)59-17-6-10-37(59)42(65)58-36(46(69)70)20-27-7-3-2-4-8-27/h2-4,7-8,11-14,23,26,31-38,50,61H,5-6,9-10,15-22,24-25H2,1H3,(H,51,53)(H,54,62)(H,55,63)(H,56,64)(H,57,66)(H,58,65)(H,69,70)(H4,48,49,52)/t31-,32+,33+,34+,35+,36+,37+,38+/m1/s1 | PDB
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| n/a | n/a | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus. |
J Med Chem 36: 1902-13 (1993)
BindingDB Entry DOI: 10.7270/Q2N58KF4 |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50048113
(CHEMBL414533 | c[Sar1-Arg2-Cys3-Tyr4-MPt5-His6-Pro...)Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSS[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C46H61N13O10S2/c1-49-22-38(61)53-31(9-5-15-51-46(47)48)39(62)57-35-24-70-71-30-20-37(59(23-30)44(67)32(54-40(35)63)17-27-11-13-29(60)14-12-27)42(65)55-33(19-28-21-50-25-52-28)43(66)58-16-6-10-36(58)41(64)56-34(45(68)69)18-26-7-3-2-4-8-26/h2-4,7-8,11-14,21,25,30-37,49,60H,5-6,9-10,15-20,22-24H2,1H3,(H,50,52)(H,53,61)(H,54,63)(H,55,65)(H,56,64)(H,57,62)(H,68,69)(H4,47,48,51)/t30-,31+,32+,33+,34+,35+,36+,37+/m1/s1 | PDB
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| n/a | n/a | 0.820 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus. |
J Med Chem 36: 1902-13 (1993)
BindingDB Entry DOI: 10.7270/Q2N58KF4 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/B
(RAT) | BDBM50228195
(Angiotensin Ii | CHEBI:2719)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1 | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
In vitro binding affinity to the angiotensin II receptor, type 1 in rat liver |
J Med Chem 36: 1902-13 (1993)
BindingDB Entry DOI: 10.7270/Q2N58KF4 |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50009338
((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(d...)Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O |r,wU:60.63,wD:24.23,36.36,43.43,56.59,17.16,6.5,(6.84,-31.4,;5.3,-31.4,;4.53,-30.07,;2.99,-30.07,;2.22,-31.4,;2.22,-28.73,;2.99,-27.4,;4.53,-27.4,;5.3,-26.07,;4.53,-24.73,;5.3,-23.4,;6.84,-23.4,;7.61,-24.73,;7.61,-22.07,;2.22,-26.07,;2.99,-24.73,;.68,-26.07,;-.09,-24.73,;.68,-23.4,;2.22,-23.4,;-.09,-22.07,;-1.63,-24.73,;-2.4,-23.4,;-2.4,-26.07,;-3.94,-26.07,;-4.71,-24.73,;-6.25,-24.73,;-7.02,-23.4,;-8.56,-23.4,;-9.33,-24.73,;-10.87,-24.73,;-8.56,-26.07,;-7.02,-26.07,;-4.71,-27.4,;-6.25,-27.4,;-3.94,-28.73,;-4.71,-30.07,;-6.25,-30.07,;-7.02,-28.73,;-7.02,-31.4,;-3.94,-31.4,;-2.4,-31.4,;-4.71,-32.73,;-3.94,-34.07,;-4.71,-35.4,;-6.25,-35.4,;-7.15,-34.16,;-8.62,-34.63,;-8.62,-36.17,;-7.15,-36.65,;-2.4,-34.07,;-1.63,-32.73,;-1.63,-35.4,;-2.26,-36.81,;-1.12,-37.84,;.22,-37.07,;-.1,-35.56,;.93,-34.42,;.45,-32.95,;2.42,-34.82,;3.5,-33.73,;3.11,-32.24,;5,-34.13,;6.09,-33.04,;5.39,-35.61,)| Show InChI InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1 | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus. |
J Med Chem 36: 1902-13 (1993)
BindingDB Entry DOI: 10.7270/Q2N58KF4 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/B
(RAT) | BDBM50048118
(2-({1-[2-{[11-[5-Guanidino-2-(2-methylamino-acetyl...)Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CCSSCC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C46H63N13O10S2/c1-49-25-38(61)53-31(9-5-17-51-46(47)48)39(62)54-32-15-19-70-71-20-16-33(55-42(65)34(56-40(32)63)21-28-11-13-30(60)14-12-28)41(64)57-35(23-29-24-50-26-52-29)44(67)59-18-6-10-37(59)43(66)58-36(45(68)69)22-27-7-3-2-4-8-27/h2-4,7-8,11-14,24,26,31-37,49,60H,5-6,9-10,15-23,25H2,1H3,(H,50,52)(H,53,61)(H,54,62)(H,55,65)(H,56,63)(H,57,64)(H,58,66)(H,68,69)(H4,47,48,51)/t31-,32+,33+,34+,35-,36-,37+/m0/s1 | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
In vitro binding affinity to the angiotensin II receptor, type 1 in rat liver |
J Med Chem 36: 1902-13 (1993)
BindingDB Entry DOI: 10.7270/Q2N58KF4 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/B
(RAT) | BDBM50048119
(CHEMBL385283 | c[Sar1-Arg2-Hcy3-Tyr4-MPt5-His6-Pro...)Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCSS[C@@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C47H63N13O10S2/c1-50-24-39(62)54-32(9-5-16-52-47(48)49)40(63)55-33-15-18-71-72-31-22-38(60(25-31)45(68)34(56-41(33)64)19-28-11-13-30(61)14-12-28)43(66)57-35(21-29-23-51-26-53-29)44(67)59-17-6-10-37(59)42(65)58-36(46(69)70)20-27-7-3-2-4-8-27/h2-4,7-8,11-14,23,26,31-38,50,61H,5-6,9-10,15-22,24-25H2,1H3,(H,51,53)(H,54,62)(H,55,63)(H,56,64)(H,57,66)(H,58,65)(H,69,70)(H4,48,49,52)/t31-,32+,33+,34+,35+,36+,37+,38+/m1/s1 | PDB
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
In vitro binding affinity to the angiotensin II receptor, type 1 in rat liver |
J Med Chem 36: 1902-13 (1993)
BindingDB Entry DOI: 10.7270/Q2N58KF4 |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(RAT) | BDBM50000558
(CHEMBL437472 | ET-1 | Endothelin -1 | Endothelin 1...)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@@H](N)C(=O)N[C@H](CO)C(=O)N[C@H]2CSSC[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC2=O)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C109H159N25O32S5/c1-12-56(9)87(107(163)125-76(109(165)166)39-60-43-113-65-24-18-17-23-63(60)65)134-108(164)88(57(10)13-2)133-99(155)75(42-85(143)144)123-94(150)70(36-54(5)6)118-97(153)73(40-61-44-112-52-114-61)121-103(159)80-49-169-168-48-64(111)89(145)126-77(45-135)102(158)131-81-50-170-171-51-82(105(161)132-86(55(7)8)106(162)124-72(38-59-26-28-62(138)29-27-59)95(151)120-71(96(152)130-80)37-58-21-15-14-16-22-58)129-91(147)67(30-31-83(139)140)116-90(146)66(25-19-20-33-110)115-98(154)74(41-84(141)142)122-92(148)68(32-34-167-11)117-93(149)69(35-53(3)4)119-100(156)78(46-136)127-101(157)79(47-137)128-104(81)160/h14-18,21-24,26-29,43-44,52-57,64,66-82,86-88,113,135-138H,12-13,19-20,25,30-42,45-51,110-111H2,1-11H3,(H,112,114)(H,115,154)(H,116,146)(H,117,149)(H,118,153)(H,119,156)(H,120,151)(H,121,159)(H,122,148)(H,123,150)(H,124,162)(H,125,163)(H,126,145)(H,127,157)(H,128,160)(H,129,147)(H,130,152)(H,131,158)(H,132,161)(H,133,155)(H,134,164)(H,139,140)(H,141,142)(H,143,144)(H,165,166)/t56-,57-,64+,66-,67-,68-,69+,70-,71-,72+,73-,74+,75-,76-,77+,78-,79+,80-,81-,82+,86-,87-,88-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibition of ET-1 binding to Endothelin B receptor in cultured rat cerebellar membranes |
J Med Chem 35: 3301-3 (1992)
BindingDB Entry DOI: 10.7270/Q21C1XGJ |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/B
(RAT) | BDBM50009338
((S)-2-((S)-1-((S)-2-((S)-2-((S)-2-((S)-2-((S)-5-(d...)Show SMILES CNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(O)=O |r,wU:60.63,wD:24.23,36.36,43.43,56.59,17.16,6.5,(6.84,-31.4,;5.3,-31.4,;4.53,-30.07,;2.99,-30.07,;2.22,-31.4,;2.22,-28.73,;2.99,-27.4,;4.53,-27.4,;5.3,-26.07,;4.53,-24.73,;5.3,-23.4,;6.84,-23.4,;7.61,-24.73,;7.61,-22.07,;2.22,-26.07,;2.99,-24.73,;.68,-26.07,;-.09,-24.73,;.68,-23.4,;2.22,-23.4,;-.09,-22.07,;-1.63,-24.73,;-2.4,-23.4,;-2.4,-26.07,;-3.94,-26.07,;-4.71,-24.73,;-6.25,-24.73,;-7.02,-23.4,;-8.56,-23.4,;-9.33,-24.73,;-10.87,-24.73,;-8.56,-26.07,;-7.02,-26.07,;-4.71,-27.4,;-6.25,-27.4,;-3.94,-28.73,;-4.71,-30.07,;-6.25,-30.07,;-7.02,-28.73,;-7.02,-31.4,;-3.94,-31.4,;-2.4,-31.4,;-4.71,-32.73,;-3.94,-34.07,;-4.71,-35.4,;-6.25,-35.4,;-7.15,-34.16,;-8.62,-34.63,;-8.62,-36.17,;-7.15,-36.65,;-2.4,-34.07,;-1.63,-32.73,;-1.63,-35.4,;-2.26,-36.81,;-1.12,-37.84,;.22,-37.07,;-.1,-35.56,;.93,-34.42,;.45,-32.95,;2.42,-34.82,;3.5,-33.73,;3.11,-32.24,;5,-34.13,;6.09,-33.04,;5.39,-35.61,)| Show InChI InChI=1S/C42H65N13O10/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65/h11-14,19,21-24,28-31,33-34,45,56H,7-10,15-18,20H2,1-6H3,(H,46,48)(H,49,60)(H,50,57)(H,51,61)(H,52,62)(H,53,58)(H,54,59)(H,64,65)(H4,43,44,47)/t24-,28-,29-,30-,31-,33-,34-/m0/s1 | PDB
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
In vitro binding affinity to the angiotensin II receptor, type 1 in rat liver |
J Med Chem 36: 1902-13 (1993)
BindingDB Entry DOI: 10.7270/Q2N58KF4 |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50048127
(Angiotensin III | CHEMBL56448)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C40H60N12O11/c1-20(2)31(50-34(57)26(7-5-13-45-40(42)43)47-33(56)25(41)17-30(54)55)36(59)48-27(15-22-9-11-24(53)12-10-22)35(58)51-32(21(3)4)37(60)49-28(16-23-18-44-19-46-23)38(61)52-14-6-8-29(52)39(62)63/h9-12,18-21,25-29,31-32,53H,5-8,13-17,41H2,1-4H3,(H,44,46)(H,47,56)(H,48,59)(H,49,60)(H,50,57)(H,51,58)(H,54,55)(H,62,63)(H4,42,43,45)/t25-,26-,27-,28-,29-,31-,32-/m0/s1 | PDB
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description
In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus. |
J Med Chem 36: 1902-13 (1993)
BindingDB Entry DOI: 10.7270/Q2N58KF4 |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50228195
(Angiotensin Ii | CHEBI:2719)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1 | PDB
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Washington University School of Medicine
Curated by ChEMBL
| Assay Description
In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus. |
J Med Chem 36: 1902-13 (1993)
BindingDB Entry DOI: 10.7270/Q2N58KF4 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/B
(RAT) | BDBM50048125
(2-({1-[2-{[11-[2-(2-Amino-acetylamino)-5-guanidino...)Show SMILES NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSCC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C44H59N13O10S2/c45-21-36(59)51-29(8-4-15-49-44(46)47)37(60)56-34-23-69-68-17-14-30(52-39(62)31(53-40(34)63)18-26-10-12-28(58)13-11-26)38(61)54-32(20-27-22-48-24-50-27)42(65)57-16-5-9-35(57)41(64)55-33(43(66)67)19-25-6-2-1-3-7-25/h1-3,6-7,10-13,22,24,29-35,58H,4-5,8-9,14-21,23,45H2,(H,48,50)(H,51,59)(H,52,62)(H,53,63)(H,54,61)(H,55,64)(H,56,60)(H,66,67)(H4,46,47,49)/t29-,30+,31+,32-,33-,34+,35+/m0/s1 | PDB
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Washington University School of Medicine
Curated by ChEMBL
| Assay Description
In vitro binding affinity to the angiotensin II receptor, type 1 in rat liver |
J Med Chem 36: 1902-13 (1993)
BindingDB Entry DOI: 10.7270/Q2N58KF4 |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50048120
(CHEMBL408886 | c[Sar1-Arg2-MPc3-Tyr4-Hcy5-His6-Pro...)Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCSS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C47H63N13O10S2/c1-50-24-39(62)54-33(9-5-16-52-47(48)49)44(67)60-25-31-22-38(60)43(66)56-34(19-28-11-13-30(61)14-12-28)41(64)55-32(15-18-71-72-31)40(63)57-35(21-29-23-51-26-53-29)45(68)59-17-6-10-37(59)42(65)58-36(46(69)70)20-27-7-3-2-4-8-27/h2-4,7-8,11-14,23,26,31-38,50,61H,5-6,9-10,15-22,24-25H2,1H3,(H,51,53)(H,54,62)(H,55,64)(H,56,66)(H,57,63)(H,58,65)(H,69,70)(H4,48,49,52)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1 | PDB
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Washington University School of Medicine
Curated by ChEMBL
| Assay Description
In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus. |
J Med Chem 36: 1902-13 (1993)
BindingDB Entry DOI: 10.7270/Q2N58KF4 |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor B
(RAT) | BDBM50009714
(CHEMBL191 | {2-Butyl-5-chloro-3-[2'-(2H-tetrazol-5...)Show SMILES CCCCC1=NC(Cl)C(CO)N1Cc1ccc(cc1)-c1ccccc1-c1nnn[nH]1 |t:4| Show InChI InChI=1S/C22H25ClN6O/c1-2-3-8-20-24-21(23)19(14-30)29(20)13-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22-25-27-28-26-22/h4-7,9-12,19,21,30H,2-3,8,13-14H2,1H3,(H,25,26,27,28) | PDB
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Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Binding affinity against angiotensin II receptor type 1 (AT1) from rat liver. |
J Med Chem 36: 1735-45 (1993)
BindingDB Entry DOI: 10.7270/Q28W3CCP |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/B
(RAT) | BDBM50048127
(Angiotensin III | CHEMBL56448)Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C40H60N12O11/c1-20(2)31(50-34(57)26(7-5-13-45-40(42)43)47-33(56)25(41)17-30(54)55)36(59)48-27(15-22-9-11-24(53)12-10-22)35(58)51-32(21(3)4)37(60)49-28(16-23-18-44-19-46-23)38(61)52-14-6-8-29(52)39(62)63/h9-12,18-21,25-29,31-32,53H,5-8,13-17,41H2,1-4H3,(H,44,46)(H,47,56)(H,48,59)(H,49,60)(H,50,57)(H,51,58)(H,54,55)(H,62,63)(H4,42,43,45)/t25-,26-,27-,28-,29-,31-,32-/m0/s1 | PDB
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Washington University School of Medicine
Curated by ChEMBL
| Assay Description
In vitro binding affinity to the angiotensin II receptor, type 1 in rat liver |
J Med Chem 36: 1902-13 (1993)
BindingDB Entry DOI: 10.7270/Q2N58KF4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3085
(6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl...)Show SMILES Cn1c2nc(Nc3cccc(CO)c3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-10.82,-5.05,;-12.15,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26) | PDB
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Parke-Davis Pharmaceutical Research
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 41: 3276-92 (1998)
Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P8WK3 |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50048121
(CHEMBL408773 | c[Sar1-Arg2-Mpt3-Tyr4-Cys5-His6-Pro...)Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C46H61N13O10S2/c1-49-22-38(61)53-31(9-5-15-51-46(47)48)43(66)59-23-30-20-37(59)42(65)54-32(17-27-11-13-29(60)14-12-27)39(62)57-35(24-70-71-30)40(63)55-33(19-28-21-50-25-52-28)44(67)58-16-6-10-36(58)41(64)56-34(45(68)69)18-26-7-3-2-4-8-26/h2-4,7-8,11-14,21,25,30-37,49,60H,5-6,9-10,15-20,22-24H2,1H3,(H,50,52)(H,53,61)(H,54,65)(H,55,63)(H,56,64)(H,57,62)(H,68,69)(H4,47,48,51)/t30-,31+,32+,33+,34+,35+,36+,37+/m1/s1 | PDB
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Washington University School of Medicine
Curated by ChEMBL
| Assay Description
In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus. |
J Med Chem 36: 1902-13 (1993)
BindingDB Entry DOI: 10.7270/Q2N58KF4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3451
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[4-(diet...)Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C)C)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C26H35Cl2N7O/c1-6-35(7-2)14-9-8-13-29-24-30-16-17-15-18(21-19(27)11-10-12-20(21)28)23(31-22(17)32-24)33-25(36)34-26(3,4)5/h10-12,15-16H,6-9,13-14H2,1-5H3,(H3,29,30,31,32,33,34,36) | PDB
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Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50048124
(CHEMBL384125 | c[Sar1-Arg2-Cys3-Tyr4-MPc5-His6-Pro...)Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSS[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C46H61N13O10S2/c1-49-22-38(61)53-31(9-5-15-51-46(47)48)39(62)57-35-24-70-71-30-20-37(59(23-30)44(67)32(54-40(35)63)17-27-11-13-29(60)14-12-27)42(65)55-33(19-28-21-50-25-52-28)43(66)58-16-6-10-36(58)41(64)56-34(45(68)69)18-26-7-3-2-4-8-26/h2-4,7-8,11-14,21,25,30-37,49,60H,5-6,9-10,15-20,22-24H2,1H3,(H,50,52)(H,53,61)(H,54,63)(H,55,65)(H,56,64)(H,57,62)(H,68,69)(H4,47,48,51)/t30-,31-,32-,33-,34-,35-,36-,37-/m0/s1 | PDB
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Washington University School of Medicine
Curated by ChEMBL
| Assay Description
In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus. |
J Med Chem 36: 1902-13 (1993)
BindingDB Entry DOI: 10.7270/Q2N58KF4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3453
(3-[6-(2,6-dichlorophenyl)-2-{[4-(diethylamino)buty...)Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)Nc3ccccc3)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.83,-4.29,;2.83,-5.83,;4.16,-6.6,;5.49,-5.83,;5.49,-4.29,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C28H31Cl2N7O/c1-3-37(4-2)16-9-8-15-31-27-32-18-19-17-21(24-22(29)13-10-14-23(24)30)26(34-25(19)35-27)36-28(38)33-20-11-6-5-7-12-20/h5-7,10-14,17-18H,3-4,8-9,15-16H2,1-2H3,(H3,31,32,33,34,35,36,38) | PDB
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Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/B
(RAT) | BDBM50048112
(2-({1-[2-{[10-[2-(2-Amino-acetylamino)-5-guanidino...)Show SMILES NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C43H57N13O10S2/c44-19-35(58)50-28(8-4-14-48-43(45)46)36(59)54-32-21-67-68-22-33(55-37(60)29(51-38(32)61)16-25-10-12-27(57)13-11-25)39(62)52-30(18-26-20-47-23-49-26)41(64)56-15-5-9-34(56)40(63)53-31(42(65)66)17-24-6-2-1-3-7-24/h1-3,6-7,10-13,20,23,28-34,57H,4-5,8-9,14-19,21-22,44H2,(H,47,49)(H,50,58)(H,51,61)(H,52,62)(H,53,63)(H,54,59)(H,55,60)(H,65,66)(H4,45,46,48)/t28-,29+,30-,31-,32+,33+,34+/m0/s1 | PDB
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Washington University School of Medicine
Curated by ChEMBL
| Assay Description
In vitro binding affinity to the angiotensin II receptor, type 1 in rat liver |
J Med Chem 36: 1902-13 (1993)
BindingDB Entry DOI: 10.7270/Q2N58KF4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM4213
(6-(2,6-dichlorophenyl)-8-methyl-2-{[4-(morpholin-4...)Show SMILES Cn1c2nc(Nc3ccc(cc3)N3CCOCC3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-.52,-2.15,;-.52,-.61,;-1.86,.16,;-3.19,-.61,;-4.53,.16,;-5.86,-.61,;-7.19,.16,;-8.55,-.56,;-9.86,.26,;-9.8,1.8,;-8.44,2.52,;-7.14,1.7,;-11.11,2.62,;-11.11,4.16,;-12.44,4.93,;-13.78,4.16,;-13.78,2.62,;-12.44,1.85,;-4.53,1.7,;-3.19,2.47,;-1.86,1.7,;-.52,2.47,;.81,1.7,;2.14,2.47,;2.14,4.01,;.81,4.78,;3.48,4.78,;4.81,4.01,;4.81,2.47,;3.48,1.7,;3.48,.16,;.81,.16,;2.14,-.61,)| Show InChI InChI=1S/C24H21Cl2N5O2/c1-30-22-15(13-18(23(30)32)21-19(25)3-2-4-20(21)26)14-27-24(29-22)28-16-5-7-17(8-6-16)31-9-11-33-12-10-31/h2-8,13-14H,9-12H2,1H3,(H,27,28,29) | PDB
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University of Auckland
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 43: 3134-47 (2000)
Article DOI: 10.1021/jm000148t
BindingDB Entry DOI: 10.7270/Q2028PQ1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3102
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 69 | 6-(2,...)Show SMILES CN1CCN(Cc2ccc(Nc3ncc4cc(-c5c(Cl)cccc5Cl)c(=O)n(C)c4n3)cc2)CC1 |(-13.49,-9.67,;-12.15,-8.9,;-12.15,-7.36,;-10.82,-6.59,;-9.48,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-9.48,-4.28,;-9.48,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-6.82,-2.74,;-6.82,-4.28,;-9.48,-8.9,;-10.82,-9.67,)| Show InChI InChI=1S/C26H26Cl2N6O/c1-32-10-12-34(13-11-32)16-17-6-8-19(9-7-17)30-26-29-15-18-14-20(25(35)33(2)24(18)31-26)23-21(27)4-3-5-22(23)28/h3-9,14-15H,10-13,16H2,1-2H3,(H,29,30,31) | PDB
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Parke-Davis Pharmaceutical Research
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 41: 3276-92 (1998)
Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P8WK3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3100
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 67 | 6-(2,...)Show SMILES Cn1c2nc(Nc3ccc(OCCN4CCCCC4)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-8.15,-6.59,;-6.82,-7.36,;-5.48,-6.59,;-4.15,-7.36,;-4.19,-8.9,;-2.88,-9.71,;-1.53,-8.98,;-1.48,-7.44,;-2.79,-6.63,;-9.48,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C27H27Cl2N5O2/c1-33-25-18(16-21(26(33)35)24-22(28)6-5-7-23(24)29)17-30-27(32-25)31-19-8-10-20(11-9-19)36-15-14-34-12-3-2-4-13-34/h5-11,16-17H,2-4,12-15H2,1H3,(H,30,31,32) | PDB
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Parke-Davis Pharmaceutical Research
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 41: 3276-92 (1998)
Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P8WK3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3096
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one deriv. | 6...)Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.3,-10.68,;-6.82,-11.08,;-5.73,-9.99,;-4.24,-10.39,;-3.15,-9.3,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)| Show InChI InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31) | PDB
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Parke-Davis Pharmaceutical Research
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 41: 4365-77 (1998)
Article DOI: 10.1021/jm980398y
BindingDB Entry DOI: 10.7270/Q2CC0XWN |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3103
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 70 | 3-[6-...)Show SMILES Cn1c2nc(Nc3cccc(c3)C(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-9.48,-2.74,;-10.82,-5.05,;-12.15,-4.28,;-10.82,-6.59,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C21H14Cl2N4O3/c1-27-18-12(9-14(19(27)28)17-15(22)6-3-7-16(17)23)10-24-21(26-18)25-13-5-2-4-11(8-13)20(29)30/h2-10H,1H3,(H,29,30)(H,24,25,26) | PDB
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| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 41: 3276-92 (1998)
Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P8WK3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3093
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 60 | 6-(2,...)Show SMILES CN(C)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-4.15,-8.9,;-5.48,-9.67,;-5.48,-11.21,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)| Show InChI InChI=1S/C24H23Cl2N5O2/c1-30(2)11-12-33-17-9-7-16(8-10-17)28-24-27-14-15-13-18(23(32)31(3)22(15)29-24)21-19(25)5-4-6-20(21)26/h4-10,13-14H,11-12H2,1-3H3,(H,27,28,29) | PDB
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Parke-Davis Pharmaceutical Research
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 41: 3276-92 (1998)
Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P8WK3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3095
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 62 | 6-(2,...)Show SMILES CCN(CC)CCOc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1 |(-13.08,-10.99,;-11.59,-10.59,;-10.82,-9.26,;-9.48,-10.03,;-8.4,-8.94,;-11.59,-7.93,;-10.82,-6.59,;-10.82,-5.05,;-9.48,-4.28,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,)| Show InChI InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)12-13-35-19-9-6-8-18(15-19)30-26-29-16-17-14-20(25(34)32(3)24(17)31-26)23-21(27)10-7-11-22(23)28/h6-11,14-16H,4-5,12-13H2,1-3H3,(H,29,30,31) | PDB
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Parke-Davis Pharmaceutical Research
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 41: 3276-92 (1998)
Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P8WK3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3096
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one deriv. | 6...)Show SMILES CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.3,-10.68,;-6.82,-11.08,;-5.73,-9.99,;-4.24,-10.39,;-3.15,-9.3,;-6.82,-8.9,;-6.82,-7.36,;-8.15,-6.59,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)| Show InChI InChI=1S/C26H27Cl2N5O2/c1-4-33(5-2)13-14-35-19-11-9-18(10-12-19)30-26-29-16-17-15-20(25(34)32(3)24(17)31-26)23-21(27)7-6-8-22(23)28/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,29,30,31) | PDB
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Parke-Davis Pharmaceutical Research
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 41: 3276-92 (1998)
Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P8WK3 |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50048123
(CHEMBL406290 | c[Sar1-Arg2-Hcy3-Tyr4-MPc5-His6-Pro...)Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CCSS[C@H]2C[C@H](N(C2)C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C47H63N13O10S2/c1-50-24-39(62)54-32(9-5-16-52-47(48)49)40(63)55-33-15-18-71-72-31-22-38(60(25-31)45(68)34(56-41(33)64)19-28-11-13-30(61)14-12-28)43(66)57-35(21-29-23-51-26-53-29)44(67)59-17-6-10-37(59)42(65)58-36(46(69)70)20-27-7-3-2-4-8-27/h2-4,7-8,11-14,23,26,31-38,50,61H,5-6,9-10,15-22,24-25H2,1H3,(H,51,53)(H,54,62)(H,55,63)(H,56,64)(H,57,66)(H,58,65)(H,69,70)(H4,48,49,52)/t31-,32-,33-,34-,35-,36-,37-,38-/m0/s1 | PDB
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Washington University School of Medicine
Curated by ChEMBL
| Assay Description
In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus. |
J Med Chem 36: 1902-13 (1993)
BindingDB Entry DOI: 10.7270/Q2N58KF4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3075
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 42 | 6-(2,...)Show SMILES Cn1c2nc(Nc3ccncc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C19H13Cl2N5O/c1-26-17-11(10-23-19(25-17)24-12-5-7-22-8-6-12)9-13(18(26)27)16-14(20)3-2-4-15(16)21/h2-10H,1H3,(H,22,23,24,25) | PDB
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Parke-Davis Pharmaceutical Research
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 41: 3276-92 (1998)
Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P8WK3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3101
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 68 | 6-(2,...)Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1 |(-8.03,-11.21,;-8.03,-9.67,;-9.39,-8.95,;-9.45,-7.41,;-8.15,-6.59,;-6.79,-7.31,;-6.73,-8.85,;-8.15,-5.05,;-6.82,-4.28,;-6.82,-2.74,;-8.15,-1.97,;-8.15,-.43,;-6.82,.34,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,;-2.82,-.43,;-2.82,-1.97,;-4.15,.34,;-5.48,-.43,;-9.48,-2.74,;-9.48,-4.28,)| Show InChI InChI=1S/C25H24Cl2N6O/c1-31-10-12-33(13-11-31)18-8-6-17(7-9-18)29-25-28-15-16-14-19(24(34)32(2)23(16)30-25)22-20(26)4-3-5-21(22)27/h3-9,14-15H,10-13H2,1-2H3,(H,28,29,30) | PDB
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Parke-Davis Pharmaceutical Research
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 41: 3276-92 (1998)
Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P8WK3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3467
(3-tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[4-(4-me...)Show SMILES CN1CCN(CCCCNc2ncc3cc(c(NC(=O)NC(C)(C)C)nc3n2)-c2c(Cl)cccc2Cl)CC1 |(-15.76,4.51,;-14.27,4.11,;-12.91,4.83,;-11.61,4.02,;-11.66,2.48,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;5.49,-4.29,;2.83,-4.29,;4.16,-5.06,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,;-13.02,1.76,;-14.33,2.57,)| Show InChI InChI=1S/C27H36Cl2N8O/c1-27(2,3)35-26(38)34-24-19(22-20(28)8-7-9-21(22)29)16-18-17-31-25(33-23(18)32-24)30-10-5-6-11-37-14-12-36(4)13-15-37/h7-9,16-17H,5-6,10-15H2,1-4H3,(H3,30,31,32,33,34,35,38) | PDB
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Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3104
(2-(4-{[6-(2,6-dichlorophenyl)-8-methyl-7-oxo-7H,8H...)Show SMILES Cn1c2nc(Nc3ccc(CC(O)=O)cc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-9.48,-2.74,;-9.48,-4.28,;-8.15,-5.05,;-8.15,-6.59,;-7.38,-7.93,;-5.84,-7.93,;-8.15,-9.26,;-6.82,-4.28,;-6.82,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C22H16Cl2N4O3/c1-28-20-13(10-15(21(28)31)19-16(23)3-2-4-17(19)24)11-25-22(27-20)26-14-7-5-12(6-8-14)9-18(29)30/h2-8,10-11H,9H2,1H3,(H,29,30)(H,25,26,27) | PDB
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Parke-Davis Pharmaceutical Research
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 41: 3276-92 (1998)
Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P8WK3 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM4193
(1,6-naphthyridin-2(1H)-one deriv. 8r | 3-(2,6-Dich...)Show SMILES CCN(CC)CCCOc1ccc(Nc2cc3[nH]c(=O)c(cc3cn2)-c2c(Cl)cccc2Cl)cc1 |(-18.31,-.65,;-18.31,.89,;-16.98,1.66,;-16.98,3.2,;-15.65,3.97,;-15.65,.89,;-14.31,1.66,;-13.04,.79,;-11.65,1.45,;-10.39,.57,;-10.51,-.96,;-9.24,-1.84,;-7.85,-1.18,;-6.52,-1.95,;-5.18,-1.18,;-3.85,-1.95,;-2.52,-1.12,;-1.18,-1.89,;.15,-1.12,;1.48,-1.89,;.15,.42,;-1.18,1.19,;-2.52,.42,;-3.85,1.13,;-5.18,.36,;1.48,1.19,;1.48,2.73,;.15,3.5,;2.82,3.5,;4.15,2.73,;4.15,1.19,;2.82,.42,;2.82,-1.12,;-7.73,.36,;-8.99,1.23,)| Show InChI InChI=1S/C27H28Cl2N4O2/c1-3-33(4-2)13-6-14-35-20-11-9-19(10-12-20)31-25-16-24-18(17-30-25)15-21(27(34)32-24)26-22(28)7-5-8-23(26)29/h5,7-12,15-17H,3-4,6,13-14H2,1-2H3,(H,30,31)(H,32,34) | PDB
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University of Auckland
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 43: 3134-47 (2000)
Article DOI: 10.1021/jm000148t
BindingDB Entry DOI: 10.7270/Q2028PQ1 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3452
(1-cyclohexyl-3-[6-(2,6-dichlorophenyl)-2-{[4-(diet...)Show SMILES CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC3CCCCC3)nc2n1)-c1c(Cl)cccc1Cl |(-13.55,.59,;-13.15,2.08,;-11.66,2.48,;-11.26,3.96,;-9.78,4.36,;-10.57,1.39,;-9.09,1.79,;-8,.7,;-6.51,1.1,;-5.18,.33,;-3.84,1.1,;-3.84,2.64,;-2.51,3.41,;-1.17,2.64,;.16,3.41,;1.49,2.64,;1.49,1.1,;2.83,.33,;2.83,-1.21,;1.49,-1.98,;4.16,-1.98,;4.16,-3.52,;2.83,-4.29,;2.83,-5.83,;4.16,-6.6,;5.49,-5.83,;5.49,-4.29,;.16,.33,;-1.17,1.1,;-2.51,.33,;2.83,3.41,;2.83,4.95,;1.49,5.72,;4.16,5.72,;5.49,4.95,;5.49,3.41,;4.16,2.64,;4.16,1.1,)| Show InChI InChI=1S/C28H37Cl2N7O/c1-3-37(4-2)16-9-8-15-31-27-32-18-19-17-21(24-22(29)13-10-14-23(24)30)26(34-25(19)35-27)36-28(38)33-20-11-6-5-7-12-20/h10,13-14,17-18,20H,3-9,11-12,15-16H2,1-2H3,(H3,31,32,33,34,35,36,38) | PDB
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Pfizer
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 44: 1915-26 (2001)
Article DOI: 10.1021/jm0004291
BindingDB Entry DOI: 10.7270/Q29K48DG |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor A/B
(RAT) | BDBM50048117
(CHEMBL413034 | c[Sar1-Arg2-Asp3-Tyr4-Lys5-His6-Pro...)Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C48H66N14O11/c1-51-26-40(65)56-32(12-7-19-54-48(49)50)41(66)59-35-24-39(64)53-18-6-5-11-33(57-43(68)34(58-44(35)69)21-29-14-16-31(63)17-15-29)42(67)60-36(23-30-25-52-27-55-30)46(71)62-20-8-13-38(62)45(70)61-37(47(72)73)22-28-9-3-2-4-10-28/h2-4,9-10,14-17,25,27,32-38,51,63H,5-8,11-13,18-24,26H2,1H3,(H,52,55)(H,53,64)(H,56,65)(H,57,68)(H,58,69)(H,59,66)(H,60,67)(H,61,70)(H,72,73)(H4,49,50,54)/t32-,33-,34-,35-,36-,37+,38-/m0/s1 | PDB
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Washington University School of Medicine
Curated by ChEMBL
| Assay Description
In vitro binding affinity to the angiotensin II receptor, type 1 in rat liver |
J Med Chem 36: 1902-13 (1993)
BindingDB Entry DOI: 10.7270/Q2N58KF4 |
More data for this
Ligand-Target Pair | |
Type-2 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50048116
(CHEMBL413925 | c[Sar1-Arg2-MPc3-Tyr4-Cys5-His6-Pro...)Show SMILES CNCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CSS2)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(O)=O Show InChI InChI=1S/C46H61N13O10S2/c1-49-22-38(61)53-31(9-5-15-51-46(47)48)43(66)59-23-30-20-37(59)42(65)54-32(17-27-11-13-29(60)14-12-27)39(62)57-35(24-70-71-30)40(63)55-33(19-28-21-50-25-52-28)44(67)58-16-6-10-36(58)41(64)56-34(45(68)69)18-26-7-3-2-4-8-26/h2-4,7-8,11-14,21,25,30-37,49,60H,5-6,9-10,15-20,22-24H2,1H3,(H,50,52)(H,53,61)(H,54,65)(H,55,63)(H,56,64)(H,57,62)(H,68,69)(H4,47,48,51)/t30-,31-,32-,33-,34-,35-,36-,37-/m0/s1 | PDB
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Washington University School of Medicine
Curated by ChEMBL
| Assay Description
In vitro binding affinity at angiotensin II (type 2) receptor in rabbit uterus. |
J Med Chem 36: 1902-13 (1993)
BindingDB Entry DOI: 10.7270/Q2N58KF4 |
More data for this
Ligand-Target Pair | |
Proto-oncogene tyrosine-protein kinase Src
(Homo sapiens (Human)) | BDBM3076
(2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 43 | 6-(2,...)Show SMILES CCn1c2nc(Nc3ccncc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-1.73,-3.06,;-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.82,-2.74,;-6.82,-4.28,;-8.15,-5.05,;-9.48,-4.28,;-9.48,-2.74,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C20H15Cl2N5O/c1-2-27-18-12(11-24-20(26-18)25-13-6-8-23-9-7-13)10-14(19(27)28)17-15(21)4-3-5-16(17)22/h3-11H,2H2,1H3,(H,23,24,25,26) | PDB
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Parke-Davis Pharmaceutical Research
| Assay Description
IC50 is the inhibitor concentration which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-32P] labe... |
J Med Chem 41: 3276-92 (1998)
Article DOI: 10.1021/jm9802259
BindingDB Entry DOI: 10.7270/Q27P8WK3 |
More data for this
Ligand-Target Pair | |
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