Found 351 hits with Last Name = 'capolino' and Initial = 'a' 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 |
|---|
Cholecystokinin
(GUINEA PIG) | BDBM21147
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 273: 1015-22 (1995)
BindingDB Entry DOI: 10.7270/Q2QV3K1C |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(GUINEA PIG) | BDBM82403
(CAS_108186 | CI-988 | NSC_108186)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(NC(=O)CCC(O)=O)c1ccccc1 |TLB:25:24:18.19.20:22,THB:15:16:18.19.20:22,20:19:16:21.22.23,20:21:16:18.19.25,25:19:22:16.23.24,(.76,2.29,;.32,.82,;-.11,-.66,;.95,-1.78,;.68,-3.29,;2.03,-4.02,;3.15,-2.96,;4.68,-3.07,;5.55,-1.8,;4.88,-.42,;3.35,-.3,;2.48,-1.57,;1.8,.38,;2.92,1.45,;2.55,2.94,;4.39,1.01,;5.51,2.08,;6.88,2.77,;6.88,4.17,;7.72,5.64,;9.09,4.95,;9.09,3.55,;8.25,2.08,;7.72,2.85,;6.35,3.55,;6.35,4.95,;-1.15,1.25,;-1.52,2.75,;-2.27,.19,;-3.75,.62,;-4.86,-.44,;-6.34,-.01,;-7.45,-1.07,;-7.09,-2.57,;-8.93,-.64,;-10.04,-1.7,;-11.52,-1.27,;-11.89,.23,;-12.64,-2.33,;-4.5,-1.94,;-3.02,-2.37,;-2.65,-3.87,;-3.77,-4.93,;-5.25,-4.5,;-5.61,-3,)| Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 273: 1015-22 (1995)
BindingDB Entry DOI: 10.7270/Q2QV3K1C |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(GUINEA PIG) | BDBM50005463
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 273: 1015-22 (1995)
BindingDB Entry DOI: 10.7270/Q2QV3K1C |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(GUINEA PIG) | BDBM82404
(Glycinamide,N-[[[3-(2-sulfoethyl)phenyl]amino]carb...)Show SMILES COc1cccc(c1)N(C(=O)CNC(=O)c1cccc(CCS(O)(=O)=O)c1)C(=O)N(C)c1ccccc1 Show InChI InChI=1S/C26H27N3O7S/c1-28(21-10-4-3-5-11-21)26(32)29(22-12-7-13-23(17-22)36-2)24(30)18-27-25(31)20-9-6-8-19(16-20)14-15-37(33,34)35/h3-13,16-17H,14-15,18H2,1-2H3,(H,27,31)(H,33,34,35) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 273: 1015-22 (1995)
BindingDB Entry DOI: 10.7270/Q2QV3K1C |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(GUINEA PIG) | BDBM82404
(Glycinamide,N-[[[3-(2-sulfoethyl)phenyl]amino]carb...)Show SMILES COc1cccc(c1)N(C(=O)CNC(=O)c1cccc(CCS(O)(=O)=O)c1)C(=O)N(C)c1ccccc1 Show InChI InChI=1S/C26H27N3O7S/c1-28(21-10-4-3-5-11-21)26(32)29(22-12-7-13-23(17-22)36-2)24(30)18-27-25(31)20-9-6-8-19(16-20)14-15-37(33,34)35/h3-13,16-17H,14-15,18H2,1-2H3,(H,27,31)(H,33,34,35) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 273: 1015-22 (1995)
BindingDB Entry DOI: 10.7270/Q2QV3K1C |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(GUINEA PIG) | BDBM21147
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 273: 1015-22 (1995)
BindingDB Entry DOI: 10.7270/Q2QV3K1C |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(GUINEA PIG) | BDBM82403
(CAS_108186 | CI-988 | NSC_108186)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(NC(=O)CCC(O)=O)c1ccccc1 |TLB:25:24:18.19.20:22,THB:15:16:18.19.20:22,20:19:16:21.22.23,20:21:16:18.19.25,25:19:22:16.23.24,(.76,2.29,;.32,.82,;-.11,-.66,;.95,-1.78,;.68,-3.29,;2.03,-4.02,;3.15,-2.96,;4.68,-3.07,;5.55,-1.8,;4.88,-.42,;3.35,-.3,;2.48,-1.57,;1.8,.38,;2.92,1.45,;2.55,2.94,;4.39,1.01,;5.51,2.08,;6.88,2.77,;6.88,4.17,;7.72,5.64,;9.09,4.95,;9.09,3.55,;8.25,2.08,;7.72,2.85,;6.35,3.55,;6.35,4.95,;-1.15,1.25,;-1.52,2.75,;-2.27,.19,;-3.75,.62,;-4.86,-.44,;-6.34,-.01,;-7.45,-1.07,;-7.09,-2.57,;-8.93,-.64,;-10.04,-1.7,;-11.52,-1.27,;-11.89,.23,;-12.64,-2.33,;-4.5,-1.94,;-3.02,-2.37,;-2.65,-3.87,;-3.77,-4.93,;-5.25,-4.5,;-5.61,-3,)| Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 273: 1015-22 (1995)
BindingDB Entry DOI: 10.7270/Q2QV3K1C |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(GUINEA PIG) | BDBM82241
(CAS_5534-95-2 | NSC_444007 | Pentagastrin)Show SMILES CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OCC(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O Show InChI InChI=1S/C37H49N7O9S/c1-22(2)21-53-37(52)39-15-13-31(45)41-29(18-24-20-40-26-12-8-7-11-25(24)26)35(50)42-27(14-16-54-3)34(49)44-30(19-32(46)47)36(51)43-28(33(38)48)17-23-9-5-4-6-10-23/h4-12,20,22,27-30,40H,13-19,21H2,1-3H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 273: 1015-22 (1995)
BindingDB Entry DOI: 10.7270/Q2QV3K1C |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(GUINEA PIG) | BDBM50061220
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 273: 1015-22 (1995)
BindingDB Entry DOI: 10.7270/Q2QV3K1C |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(GUINEA PIG) | BDBM82235
(Gastrin I | Gastrin-17 | Gastrin-I-(1-17))Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:4.4,138.143,38.41,52.60,70.78,88.95,96.98,wD:8.20,130.135,26.37,43.51,61.69,79.87,103.106,110.122,121.125,(26,6.14,;24.67,5.35,;24.67,3.8,;23.32,3.01,;23.32,1.49,;22,.73,;20.68,1.49,;20.68,3.04,;19.35,.73,;19.35,-.76,;20.68,-1.52,;21.94,-.7,;23.15,-1.69,;22.59,-3.1,;23.29,-4.48,;22.45,-5.77,;20.9,-5.71,;20.2,-4.31,;21.04,-2.98,;18,1.49,;16.68,.7,;16.68,-.76,;15.36,1.49,;14.03,.7,;12.68,1.46,;12.68,3.01,;11.36,.68,;11.36,-.79,;12.71,-1.55,;12.71,-3.1,;14.03,-3.86,;15.36,-3.07,;16.71,-3.86,;15.36,-1.55,;14.03,-.79,;10.01,1.44,;8.66,.68,;8.66,-.82,;7.33,1.44,;7.3,2.98,;6.01,.65,;4.66,1.44,;4.66,2.98,;3.34,.65,;3.34,-.84,;4.66,-1.6,;4.66,-3.15,;6.01,-3.91,;3.34,-3.91,;2.01,1.44,;.66,.65,;.66,-.84,;-.61,1.44,;-.61,2.96,;.66,3.74,;.66,5.32,;2.01,6.11,;-.61,6.11,;-1.93,.65,;-3.28,1.41,;-3.28,2.96,;-4.6,.65,;-4.6,-.84,;-3.28,-1.6,;-3.28,-3.15,;-1.93,-3.94,;-4.6,-3.94,;-5.93,1.41,;-7.28,.65,;-7.28,-.84,;-8.6,1.44,;-8.6,2.96,;-7.28,3.74,;-7.28,5.32,;-5.93,6.11,;-8.6,6.11,;-9.95,.65,;-11.33,1.44,;-11.33,2.98,;-12.65,.65,;-12.65,-.82,;-11.33,-1.6,;-11.33,-3.15,;-9.95,-3.94,;-12.65,-3.91,;-13.98,1.44,;-15.33,.68,;-15.33,-.79,;-16.65,1.44,;-16.65,2.96,;-15.3,3.77,;-15.3,5.29,;-13.98,6.08,;-17.97,.68,;-19.32,1.44,;-19.32,2.98,;-20.62,.68,;-19.69,1.83,;-20.39,3.26,;-21.91,2.96,;-21.91,1.44,;-23.24,.68,;-23.24,-.96,;-24.7,1.52,;-23.97,.34,;-24.56,-.98,;-26.16,-.7,;-26.16,.68,;-27.52,1.44,;-27.52,2.98,;-28.84,.68,;-28.84,-.82,;-27.52,-1.55,;-27.52,-3.1,;-26.14,-3.86,;-26.11,-5.4,;-27.52,-6.16,;-24.78,-6.16,;-30.19,1.44,;-31.51,.68,;-31.51,-.82,;-32.84,1.41,;-31.85,.28,;-32.55,-1.1,;-34.07,-.79,;-35.37,-1.58,;-34.07,.68,;24.67,.73,;24.67,-.73,;26,1.49,;27.35,.7,;27.35,-.76,;28.7,-1.55,;30.02,-.76,;28.7,-3.07,;28.7,1.49,;28.7,3.04,;30.02,.7,;31.34,1.49,;31.34,3.01,;32.7,3.83,;32.7,5.38,;34.02,6.16,;35.37,5.38,;35.37,3.83,;34.02,3.01,;32.7,.7,;34.02,1.49,;32.7,-.76,)| Show InChI InChI=1S/C94H128N22O31S2/c1-48(79(133)113-65(43-50-19-21-52(117)22-20-50)80(134)100-47-71(119)103-66(44-51-46-99-54-15-8-7-14-53(51)54)89(143)109-61(35-40-148-2)88(142)114-67(45-77(130)131)90(144)112-64(78(95)132)42-49-12-5-4-6-13-49)101-81(135)56(24-30-72(120)121)104-83(137)57(25-31-73(122)123)105-84(138)58(26-32-74(124)125)106-85(139)59(27-33-75(126)127)107-86(140)60(28-34-76(128)129)108-87(141)62(36-41-149-3)110-91(145)68-17-10-38-115(68)93(147)69-18-11-39-116(69)92(146)63(16-9-37-98-94(96)97)111-82(136)55-23-29-70(118)102-55/h4-8,12-15,19-22,46,48,55-69,99,117H,9-11,16-18,23-45,47H2,1-3H3,(H2,95,132)(H,100,134)(H,101,135)(H,102,118)(H,103,119)(H,104,137)(H,105,138)(H,106,139)(H,107,140)(H,108,141)(H,109,143)(H,110,145)(H,111,136)(H,112,144)(H,113,133)(H,114,142)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H4,96,97,98)/t48-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 273: 1015-22 (1995)
BindingDB Entry DOI: 10.7270/Q2QV3K1C |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(GUINEA PIG) | BDBM82235
(Gastrin I | Gastrin-17 | Gastrin-I-(1-17))Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:4.4,138.143,38.41,52.60,70.78,88.95,96.98,wD:8.20,130.135,26.37,43.51,61.69,79.87,103.106,110.122,121.125,(26,6.14,;24.67,5.35,;24.67,3.8,;23.32,3.01,;23.32,1.49,;22,.73,;20.68,1.49,;20.68,3.04,;19.35,.73,;19.35,-.76,;20.68,-1.52,;21.94,-.7,;23.15,-1.69,;22.59,-3.1,;23.29,-4.48,;22.45,-5.77,;20.9,-5.71,;20.2,-4.31,;21.04,-2.98,;18,1.49,;16.68,.7,;16.68,-.76,;15.36,1.49,;14.03,.7,;12.68,1.46,;12.68,3.01,;11.36,.68,;11.36,-.79,;12.71,-1.55,;12.71,-3.1,;14.03,-3.86,;15.36,-3.07,;16.71,-3.86,;15.36,-1.55,;14.03,-.79,;10.01,1.44,;8.66,.68,;8.66,-.82,;7.33,1.44,;7.3,2.98,;6.01,.65,;4.66,1.44,;4.66,2.98,;3.34,.65,;3.34,-.84,;4.66,-1.6,;4.66,-3.15,;6.01,-3.91,;3.34,-3.91,;2.01,1.44,;.66,.65,;.66,-.84,;-.61,1.44,;-.61,2.96,;.66,3.74,;.66,5.32,;2.01,6.11,;-.61,6.11,;-1.93,.65,;-3.28,1.41,;-3.28,2.96,;-4.6,.65,;-4.6,-.84,;-3.28,-1.6,;-3.28,-3.15,;-1.93,-3.94,;-4.6,-3.94,;-5.93,1.41,;-7.28,.65,;-7.28,-.84,;-8.6,1.44,;-8.6,2.96,;-7.28,3.74,;-7.28,5.32,;-5.93,6.11,;-8.6,6.11,;-9.95,.65,;-11.33,1.44,;-11.33,2.98,;-12.65,.65,;-12.65,-.82,;-11.33,-1.6,;-11.33,-3.15,;-9.95,-3.94,;-12.65,-3.91,;-13.98,1.44,;-15.33,.68,;-15.33,-.79,;-16.65,1.44,;-16.65,2.96,;-15.3,3.77,;-15.3,5.29,;-13.98,6.08,;-17.97,.68,;-19.32,1.44,;-19.32,2.98,;-20.62,.68,;-19.69,1.83,;-20.39,3.26,;-21.91,2.96,;-21.91,1.44,;-23.24,.68,;-23.24,-.96,;-24.7,1.52,;-23.97,.34,;-24.56,-.98,;-26.16,-.7,;-26.16,.68,;-27.52,1.44,;-27.52,2.98,;-28.84,.68,;-28.84,-.82,;-27.52,-1.55,;-27.52,-3.1,;-26.14,-3.86,;-26.11,-5.4,;-27.52,-6.16,;-24.78,-6.16,;-30.19,1.44,;-31.51,.68,;-31.51,-.82,;-32.84,1.41,;-31.85,.28,;-32.55,-1.1,;-34.07,-.79,;-35.37,-1.58,;-34.07,.68,;24.67,.73,;24.67,-.73,;26,1.49,;27.35,.7,;27.35,-.76,;28.7,-1.55,;30.02,-.76,;28.7,-3.07,;28.7,1.49,;28.7,3.04,;30.02,.7,;31.34,1.49,;31.34,3.01,;32.7,3.83,;32.7,5.38,;34.02,6.16,;35.37,5.38,;35.37,3.83,;34.02,3.01,;32.7,.7,;34.02,1.49,;32.7,-.76,)| Show InChI InChI=1S/C94H128N22O31S2/c1-48(79(133)113-65(43-50-19-21-52(117)22-20-50)80(134)100-47-71(119)103-66(44-51-46-99-54-15-8-7-14-53(51)54)89(143)109-61(35-40-148-2)88(142)114-67(45-77(130)131)90(144)112-64(78(95)132)42-49-12-5-4-6-13-49)101-81(135)56(24-30-72(120)121)104-83(137)57(25-31-73(122)123)105-84(138)58(26-32-74(124)125)106-85(139)59(27-33-75(126)127)107-86(140)60(28-34-76(128)129)108-87(141)62(36-41-149-3)110-91(145)68-17-10-38-115(68)93(147)69-18-11-39-116(69)92(146)63(16-9-37-98-94(96)97)111-82(136)55-23-29-70(118)102-55/h4-8,12-15,19-22,46,48,55-69,99,117H,9-11,16-18,23-45,47H2,1-3H3,(H2,95,132)(H,100,134)(H,101,135)(H,102,118)(H,103,119)(H,104,137)(H,105,138)(H,106,139)(H,107,140)(H,108,141)(H,109,143)(H,110,145)(H,111,136)(H,112,144)(H,113,133)(H,114,142)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H4,96,97,98)/t48-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 5.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 273: 1015-22 (1995)
BindingDB Entry DOI: 10.7270/Q2QV3K1C |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(GUINEA PIG) | BDBM82241
(CAS_5534-95-2 | NSC_444007 | Pentagastrin)Show SMILES CSCCC(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OCC(C)C)C(=O)NC(CC(O)=O)C(=O)NC(Cc1ccccc1)C(N)=O Show InChI InChI=1S/C37H49N7O9S/c1-22(2)21-53-37(52)39-15-13-31(45)41-29(18-24-20-40-26-12-8-7-11-25(24)26)35(50)42-27(14-16-54-3)34(49)44-30(19-32(46)47)36(51)43-28(33(38)48)17-23-9-5-4-6-10-23/h4-12,20,22,27-30,40H,13-19,21H2,1-3H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 273: 1015-22 (1995)
BindingDB Entry DOI: 10.7270/Q2QV3K1C |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(GUINEA PIG) | BDBM50061220
(1-((S)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benz...)Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| 7.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 273: 1015-22 (1995)
BindingDB Entry DOI: 10.7270/Q2QV3K1C |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(GUINEA PIG) | BDBM50005463
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1 | Reactome pathway
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MCE
KEGG
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| PubMed
| 87 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 273: 1015-22 (1995)
BindingDB Entry DOI: 10.7270/Q2QV3K1C |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(GUINEA PIG) | BDBM50005463
((R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-...)Show SMILES CN1c2ccccc2C(=N[C@H](NC(=O)c2cc3ccccc3[nH]2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C25H20N4O2/c1-29-21-14-8-6-12-18(21)22(16-9-3-2-4-10-16)27-23(25(29)31)28-24(30)20-15-17-11-5-7-13-19(17)26-20/h2-15,23,26H,1H3,(H,28,30)/t23-/m1/s1 | Reactome pathway
KEGG
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CHEMBL
MCE
KEGG
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PC sid
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Patents
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| PubMed
| 141 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 273: 1015-22 (1995)
BindingDB Entry DOI: 10.7270/Q2QV3K1C |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(GUINEA PIG) | BDBM82235
(Gastrin I | Gastrin-17 | Gastrin-I-(1-17))Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r,wU:4.4,138.143,38.41,52.60,70.78,88.95,96.98,wD:8.20,130.135,26.37,43.51,61.69,79.87,103.106,110.122,121.125,(26,6.14,;24.67,5.35,;24.67,3.8,;23.32,3.01,;23.32,1.49,;22,.73,;20.68,1.49,;20.68,3.04,;19.35,.73,;19.35,-.76,;20.68,-1.52,;21.94,-.7,;23.15,-1.69,;22.59,-3.1,;23.29,-4.48,;22.45,-5.77,;20.9,-5.71,;20.2,-4.31,;21.04,-2.98,;18,1.49,;16.68,.7,;16.68,-.76,;15.36,1.49,;14.03,.7,;12.68,1.46,;12.68,3.01,;11.36,.68,;11.36,-.79,;12.71,-1.55,;12.71,-3.1,;14.03,-3.86,;15.36,-3.07,;16.71,-3.86,;15.36,-1.55,;14.03,-.79,;10.01,1.44,;8.66,.68,;8.66,-.82,;7.33,1.44,;7.3,2.98,;6.01,.65,;4.66,1.44,;4.66,2.98,;3.34,.65,;3.34,-.84,;4.66,-1.6,;4.66,-3.15,;6.01,-3.91,;3.34,-3.91,;2.01,1.44,;.66,.65,;.66,-.84,;-.61,1.44,;-.61,2.96,;.66,3.74,;.66,5.32,;2.01,6.11,;-.61,6.11,;-1.93,.65,;-3.28,1.41,;-3.28,2.96,;-4.6,.65,;-4.6,-.84,;-3.28,-1.6,;-3.28,-3.15,;-1.93,-3.94,;-4.6,-3.94,;-5.93,1.41,;-7.28,.65,;-7.28,-.84,;-8.6,1.44,;-8.6,2.96,;-7.28,3.74,;-7.28,5.32,;-5.93,6.11,;-8.6,6.11,;-9.95,.65,;-11.33,1.44,;-11.33,2.98,;-12.65,.65,;-12.65,-.82,;-11.33,-1.6,;-11.33,-3.15,;-9.95,-3.94,;-12.65,-3.91,;-13.98,1.44,;-15.33,.68,;-15.33,-.79,;-16.65,1.44,;-16.65,2.96,;-15.3,3.77,;-15.3,5.29,;-13.98,6.08,;-17.97,.68,;-19.32,1.44,;-19.32,2.98,;-20.62,.68,;-19.69,1.83,;-20.39,3.26,;-21.91,2.96,;-21.91,1.44,;-23.24,.68,;-23.24,-.96,;-24.7,1.52,;-23.97,.34,;-24.56,-.98,;-26.16,-.7,;-26.16,.68,;-27.52,1.44,;-27.52,2.98,;-28.84,.68,;-28.84,-.82,;-27.52,-1.55,;-27.52,-3.1,;-26.14,-3.86,;-26.11,-5.4,;-27.52,-6.16,;-24.78,-6.16,;-30.19,1.44,;-31.51,.68,;-31.51,-.82,;-32.84,1.41,;-31.85,.28,;-32.55,-1.1,;-34.07,-.79,;-35.37,-1.58,;-34.07,.68,;24.67,.73,;24.67,-.73,;26,1.49,;27.35,.7,;27.35,-.76,;28.7,-1.55,;30.02,-.76,;28.7,-3.07,;28.7,1.49,;28.7,3.04,;30.02,.7,;31.34,1.49,;31.34,3.01,;32.7,3.83,;32.7,5.38,;34.02,6.16,;35.37,5.38,;35.37,3.83,;34.02,3.01,;32.7,.7,;34.02,1.49,;32.7,-.76,)| Show InChI InChI=1S/C94H128N22O31S2/c1-48(79(133)113-65(43-50-19-21-52(117)22-20-50)80(134)100-47-71(119)103-66(44-51-46-99-54-15-8-7-14-53(51)54)89(143)109-61(35-40-148-2)88(142)114-67(45-77(130)131)90(144)112-64(78(95)132)42-49-12-5-4-6-13-49)101-81(135)56(24-30-72(120)121)104-83(137)57(25-31-73(122)123)105-84(138)58(26-32-74(124)125)106-85(139)59(27-33-75(126)127)107-86(140)60(28-34-76(128)129)108-87(141)62(36-41-149-3)110-91(145)68-17-10-38-115(68)93(147)69-18-11-39-116(69)92(146)63(16-9-37-98-94(96)97)111-82(136)55-23-29-70(118)102-55/h4-8,12-15,19-22,46,48,55-69,99,117H,9-11,16-18,23-45,47H2,1-3H3,(H2,95,132)(H,100,134)(H,101,135)(H,102,118)(H,103,119)(H,104,137)(H,105,138)(H,106,139)(H,107,140)(H,108,141)(H,109,143)(H,110,145)(H,111,136)(H,112,144)(H,113,133)(H,114,142)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,130,131)(H4,96,97,98)/t48-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1 | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 883 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 273: 1015-22 (1995)
BindingDB Entry DOI: 10.7270/Q2QV3K1C |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(GUINEA PIG) | BDBM82403
(CAS_108186 | CI-988 | NSC_108186)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(NC(=O)CCC(O)=O)c1ccccc1 |TLB:25:24:18.19.20:22,THB:15:16:18.19.20:22,20:19:16:21.22.23,20:21:16:18.19.25,25:19:22:16.23.24,(.76,2.29,;.32,.82,;-.11,-.66,;.95,-1.78,;.68,-3.29,;2.03,-4.02,;3.15,-2.96,;4.68,-3.07,;5.55,-1.8,;4.88,-.42,;3.35,-.3,;2.48,-1.57,;1.8,.38,;2.92,1.45,;2.55,2.94,;4.39,1.01,;5.51,2.08,;6.88,2.77,;6.88,4.17,;7.72,5.64,;9.09,4.95,;9.09,3.55,;8.25,2.08,;7.72,2.85,;6.35,3.55,;6.35,4.95,;-1.15,1.25,;-1.52,2.75,;-2.27,.19,;-3.75,.62,;-4.86,-.44,;-6.34,-.01,;-7.45,-1.07,;-7.09,-2.57,;-8.93,-.64,;-10.04,-1.7,;-11.52,-1.27,;-11.89,.23,;-12.64,-2.33,;-4.5,-1.94,;-3.02,-2.37,;-2.65,-3.87,;-3.77,-4.93,;-5.25,-4.5,;-5.61,-3,)| Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| PubMed
| 1.44E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 273: 1015-22 (1995)
BindingDB Entry DOI: 10.7270/Q2QV3K1C |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(GUINEA PIG) | BDBM82404
(Glycinamide,N-[[[3-(2-sulfoethyl)phenyl]amino]carb...)Show SMILES COc1cccc(c1)N(C(=O)CNC(=O)c1cccc(CCS(O)(=O)=O)c1)C(=O)N(C)c1ccccc1 Show InChI InChI=1S/C26H27N3O7S/c1-28(21-10-4-3-5-11-21)26(32)29(22-12-7-13-23(17-22)36-2)24(30)18-27-25(31)20-9-6-8-19(16-20)14-15-37(33,34)35/h3-13,16-17H,14-15,18H2,1-2H3,(H,27,31)(H,33,34,35) | PDB
UniProtKB/TrEMBL
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| PubMed
| 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 273: 1015-22 (1995)
BindingDB Entry DOI: 10.7270/Q2QV3K1C |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(GUINEA PIG) | BDBM50008673
(2-(4-Chloro-benzoylamino)-3-(1H-indol-3-yl)-propio...)Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H15ClN2O3/c19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15/h1-8,10,16,20H,9H2,(H,21,22)(H,23,24) | Reactome pathway
KEGG
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CHEMBL
MCE
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 273: 1015-22 (1995)
BindingDB Entry DOI: 10.7270/Q2QV3K1C |
More data for this
Ligand-Target Pair | |
Cholecystokinin
(GUINEA PIG) | BDBM50008673
(2-(4-Chloro-benzoylamino)-3-(1H-indol-3-yl)-propio...)Show SMILES OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H15ClN2O3/c19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15/h1-8,10,16,20H,9H2,(H,21,22)(H,23,24) | Reactome pathway
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 273: 1015-22 (1995)
BindingDB Entry DOI: 10.7270/Q2QV3K1C |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50172022
(4-(5-Fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2...)Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cc12 Show InChI InChI=1S/C22H20F4N2O5/c1-11-15-9-13(5-6-14(15)18(30)33-28-11)27-19(31)21(32,22(24,25)26)10-20(2,3)16-8-12(23)4-7-17(16)29/h4-9,29,32H,10H2,1-3H3,(H,27,31) | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50172021
(4-(5-Fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2...)Show SMILES CC(C)(CC(O)(C(=O)Nc1ccc2C(=O)OCc2c1)C(F)(F)F)c1cc(F)ccc1O Show InChI InChI=1S/C21H19F4NO5/c1-19(2,15-8-12(22)3-6-16(15)27)10-20(30,21(23,24)25)18(29)26-13-4-5-14-11(7-13)9-31-17(14)28/h3-8,27,30H,9-10H2,1-2H3,(H,26,29) | PDB
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Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50172020
(2-Cyclohexylmethyl-4-(5-fluoro-2-hydroxy-phenyl)-2...)Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCCC3)CC(C)(C)c3cc(F)ccc3O)cc12 Show InChI InChI=1S/C28H33FN2O5/c1-17-22-14-20(10-11-21(22)25(33)36-31-17)30-26(34)28(35,15-18-7-5-4-6-8-18)16-27(2,3)23-13-19(29)9-12-24(23)32/h9-14,18,32,35H,4-8,15-16H2,1-3H3,(H,30,34) | PDB
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Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50172032
(2-Benzyl-2-hydroxy-4-methyl-4-phenyl-pentanoic aci...)Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(Cc3ccccc3)CC(C)(C)c3ccccc3)cc12 Show InChI InChI=1S/C28H28N2O4/c1-19-24-16-22(14-15-23(24)25(31)34-30-19)29-26(32)28(33,17-20-10-6-4-7-11-20)18-27(2,3)21-12-8-5-9-13-21/h4-16,33H,17-18H2,1-3H3,(H,29,32) | PDB
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Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50172033
(2-Benzyl-4-(5-fluoro-2-hydroxy-phenyl)-2-hydroxy-4...)Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(Cc3ccccc3)CC(C)(C)c3cc(F)ccc3O)cc12 Show InChI InChI=1S/C28H27FN2O5/c1-17-22-14-20(10-11-21(22)25(33)36-31-17)30-26(34)28(35,15-18-7-5-4-6-8-18)16-27(2,3)23-13-19(29)9-12-24(23)32/h4-14,32,35H,15-16H2,1-3H3,(H,30,34) | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50172034
(2-Cyclohexylmethyl-2-hydroxy-4-methyl-4-phenyl-pen...)Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCCC3)CC(C)(C)c3ccccc3)cc12 Show InChI InChI=1S/C28H34N2O4/c1-19-24-16-22(14-15-23(24)25(31)34-30-19)29-26(32)28(33,17-20-10-6-4-7-11-20)18-27(2,3)21-12-8-5-9-13-21/h5,8-9,12-16,20,33H,4,6-7,10-11,17-18H2,1-3H3,(H,29,32) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50172025
(2-Cyclohexylmethyl-2-hydroxy-4-methyl-4-phenyl-pen...)Show SMILES CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1 Show InChI InChI=1S/C27H33NO4/c1-26(2,21-11-7-4-8-12-21)18-27(31,16-19-9-5-3-6-10-19)25(30)28-22-13-14-23-20(15-22)17-32-24(23)29/h4,7-8,11-15,19,31H,3,5-6,9-10,16-18H2,1-2H3,(H,28,30) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50172025
(2-Cyclohexylmethyl-2-hydroxy-4-methyl-4-phenyl-pen...)Show SMILES CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1 Show InChI InChI=1S/C27H33NO4/c1-26(2,21-11-7-4-8-12-21)18-27(31,16-19-9-5-3-6-10-19)25(30)28-22-13-14-23-20(15-22)17-32-24(23)29/h4,7-8,11-15,19,31H,3,5-6,9-10,16-18H2,1-2H3,(H,28,30) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50172025
(2-Cyclohexylmethyl-2-hydroxy-4-methyl-4-phenyl-pen...)Show SMILES CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1 Show InChI InChI=1S/C27H33NO4/c1-26(2,21-11-7-4-8-12-21)18-27(31,16-19-9-5-3-6-10-19)25(30)28-22-13-14-23-20(15-22)17-32-24(23)29/h4,7-8,11-15,19,31H,3,5-6,9-10,16-18H2,1-2H3,(H,28,30) | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50172023
(2-Benzyl-2-hydroxy-4-methyl-4-phenyl-pentanoic aci...)Show SMILES CC(C)(CC(O)(Cc1ccccc1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1 Show InChI InChI=1S/C27H27NO4/c1-26(2,21-11-7-4-8-12-21)18-27(31,16-19-9-5-3-6-10-19)25(30)28-22-13-14-23-20(15-22)17-32-24(23)29/h3-15,31H,16-18H2,1-2H3,(H,28,30) | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50172021
(4-(5-Fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2...)Show SMILES CC(C)(CC(O)(C(=O)Nc1ccc2C(=O)OCc2c1)C(F)(F)F)c1cc(F)ccc1O Show InChI InChI=1S/C21H19F4NO5/c1-19(2,15-8-12(22)3-6-16(15)27)10-20(30,21(23,24)25)18(29)26-13-4-5-14-11(7-13)9-31-17(14)28/h3-8,27,30H,9-10H2,1-2H3,(H,26,29) | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50172025
(2-Cyclohexylmethyl-2-hydroxy-4-methyl-4-phenyl-pen...)Show SMILES CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1 Show InChI InChI=1S/C27H33NO4/c1-26(2,21-11-7-4-8-12-21)18-27(31,16-19-9-5-3-6-10-19)25(30)28-22-13-14-23-20(15-22)17-32-24(23)29/h4,7-8,11-15,19,31H,3,5-6,9-10,16-18H2,1-2H3,(H,28,30) | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50172025
(2-Cyclohexylmethyl-2-hydroxy-4-methyl-4-phenyl-pen...)Show SMILES CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1 Show InChI InChI=1S/C27H33NO4/c1-26(2,21-11-7-4-8-12-21)18-27(31,16-19-9-5-3-6-10-19)25(30)28-22-13-14-23-20(15-22)17-32-24(23)29/h4,7-8,11-15,19,31H,3,5-6,9-10,16-18H2,1-2H3,(H,28,30) | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM50172027
(2-Cyclohexylmethyl-4-(5-fluoro-2-hydroxy-phenyl)-2...)Show SMILES CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc1ccc2C(=O)OCc2c1)c1cc(F)ccc1O Show InChI InChI=1S/C27H32FNO5/c1-26(2,22-13-19(28)8-11-23(22)30)16-27(33,14-17-6-4-3-5-7-17)25(32)29-20-9-10-21-18(12-20)15-34-24(21)31/h8-13,17,30,33H,3-7,14-16H2,1-2H3,(H,29,32) | PDB
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards glucocorticoid receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50172022
(4-(5-Fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2...)Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cc12 Show InChI InChI=1S/C22H20F4N2O5/c1-11-15-9-13(5-6-14(15)18(30)33-28-11)27-19(31)21(32,22(24,25)26)10-20(2,3)16-8-12(23)4-7-17(16)29/h4-9,29,32H,10H2,1-3H3,(H,27,31) | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50172032
(2-Benzyl-2-hydroxy-4-methyl-4-phenyl-pentanoic aci...)Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(Cc3ccccc3)CC(C)(C)c3ccccc3)cc12 Show InChI InChI=1S/C28H28N2O4/c1-19-24-16-22(14-15-23(24)25(31)34-30-19)29-26(32)28(33,17-20-10-6-4-7-11-20)18-27(2,3)21-12-8-5-9-13-21/h4-16,33H,17-18H2,1-3H3,(H,29,32) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50172023
(2-Benzyl-2-hydroxy-4-methyl-4-phenyl-pentanoic aci...)Show SMILES CC(C)(CC(O)(Cc1ccccc1)C(=O)Nc1ccc2C(=O)OCc2c1)c1ccccc1 Show InChI InChI=1S/C27H27NO4/c1-26(2,21-11-7-4-8-12-21)18-27(31,16-19-9-5-3-6-10-19)25(30)28-22-13-14-23-20(15-22)17-32-24(23)29/h3-15,31H,16-18H2,1-2H3,(H,28,30) | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50172021
(4-(5-Fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2...)Show SMILES CC(C)(CC(O)(C(=O)Nc1ccc2C(=O)OCc2c1)C(F)(F)F)c1cc(F)ccc1O Show InChI InChI=1S/C21H19F4NO5/c1-19(2,15-8-12(22)3-6-16(15)27)10-20(30,21(23,24)25)18(29)26-13-4-5-14-11(7-13)9-31-17(14)28/h3-8,27,30H,9-10H2,1-2H3,(H,26,29) | PDB
MMDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards mineralocorticoid receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50172033
(2-Benzyl-4-(5-fluoro-2-hydroxy-phenyl)-2-hydroxy-4...)Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(Cc3ccccc3)CC(C)(C)c3cc(F)ccc3O)cc12 Show InChI InChI=1S/C28H27FN2O5/c1-17-22-14-20(10-11-21(22)25(33)36-31-17)30-26(34)28(35,15-18-7-5-4-6-8-18)16-27(2,3)23-13-19(29)9-12-24(23)32/h4-14,32,35H,15-16H2,1-3H3,(H,30,34) | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50172038
(4-(5-Fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2...)Show SMILES Cc1cccc(CC(O)(CC(C)(C)c2cc(F)ccc2O)C(=O)Nc2ccc3C(=O)OCc3c2)c1 Show InChI InChI=1S/C28H28FNO5/c1-17-5-4-6-18(11-17)14-28(34,16-27(2,3)23-13-20(29)7-10-24(23)31)26(33)30-21-8-9-22-19(12-21)15-35-25(22)32/h4-13,31,34H,14-16H2,1-3H3,(H,30,33) | PDB
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Glucocorticoid receptor
(Homo sapiens (Human)) | BDBM18746
(6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-[1-(pr...)Show SMILES COc1ccc(F)cc1-c1ccc2NC(C)(C)C=C(C(C)OCC=C)c2c1 |t:18| Show InChI InChI=1S/C23H26FNO2/c1-6-11-27-15(2)20-14-23(3,4)25-21-9-7-16(12-19(20)21)18-13-17(24)8-10-22(18)26-5/h6-10,12-15,25H,1,11H2,2-5H3 | PDB
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Boehringer Ingelheim Pharmaceuticals Inc.
| Assay Description
IC50 values shown are means of a single experiment done in duplicate 11-point concentration-effect curves. |
Bioorg Med Chem Lett 17: 5091-5 (2007)
Article DOI: 10.1016/j.bmcl.2007.07.021
BindingDB Entry DOI: 10.7270/Q21J981M |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50172024
(2-Benzyl-4-(5-fluoro-2-hydroxy-phenyl)-2-hydroxy-4...)Show SMILES CC(C)(CC(O)(Cc1ccccc1)C(=O)Nc1ccc2C(=O)OCc2c1)c1cc(F)ccc1O Show InChI InChI=1S/C27H26FNO5/c1-26(2,22-13-19(28)8-11-23(22)30)16-27(33,14-17-6-4-3-5-7-17)25(32)29-20-9-10-21-18(12-20)15-34-24(21)31/h3-13,30,33H,14-16H2,1-2H3,(H,29,32) | PDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50172046
(2-Benzyl-4-(5-fluoro-2-methoxy-phenyl)-2-hydroxy-4...)Show SMILES COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1)C(=O)Nc1ccc2C(=O)OCc2c1 Show InChI InChI=1S/C28H28FNO5/c1-27(2,23-14-20(29)9-12-24(23)34-3)17-28(33,15-18-7-5-4-6-8-18)26(32)30-21-10-11-22-19(13-21)16-35-25(22)31/h4-14,33H,15-17H2,1-3H3,(H,30,32) | PDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50172020
(2-Cyclohexylmethyl-4-(5-fluoro-2-hydroxy-phenyl)-2...)Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCCC3)CC(C)(C)c3cc(F)ccc3O)cc12 Show InChI InChI=1S/C28H33FN2O5/c1-17-22-14-20(10-11-21(22)25(33)36-31-17)30-26(34)28(35,15-18-7-5-4-6-8-18)16-27(2,3)23-13-19(29)9-12-24(23)32/h9-14,18,32,35H,4-8,15-16H2,1-3H3,(H,30,34) | PDB
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| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50172028
(2-Hydroxy-4-methyl-4-phenyl-2-trifluoromethyl-pent...)Show SMILES CC(C)(CC(O)(C(=O)Nc1ccc2C(=O)OCc2c1)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C21H20F3NO4/c1-19(2,14-6-4-3-5-7-14)12-20(28,21(22,23)24)18(27)25-15-8-9-16-13(10-15)11-29-17(16)26/h3-10,28H,11-12H2,1-2H3,(H,25,27) | PDB
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50172037
(4-(5-Fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2...)Show SMILES Cc1ccccc1CC(O)(CC(C)(C)c1cc(F)ccc1O)C(=O)Nc1ccc2C(=O)OCc2c1 Show InChI InChI=1S/C28H28FNO5/c1-17-6-4-5-7-18(17)14-28(34,16-27(2,3)23-13-20(29)8-11-24(23)31)26(33)30-21-9-10-22-19(12-21)15-35-25(22)32/h4-13,31,34H,14-16H2,1-3H3,(H,30,33) | PDB
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50172034
(2-Cyclohexylmethyl-2-hydroxy-4-methyl-4-phenyl-pen...)Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCCC3)CC(C)(C)c3ccccc3)cc12 Show InChI InChI=1S/C28H34N2O4/c1-19-24-16-22(14-15-23(24)25(31)34-30-19)29-26(32)28(33,17-20-10-6-4-7-11-20)18-27(2,3)21-12-8-5-9-13-21/h5,8-9,12-16,20,33H,4,6-7,10-11,17-18H2,1-3H3,(H,29,32) | PDB
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Mineralocorticoid receptor
(Homo sapiens (Human)) | BDBM50172022
(4-(5-Fluoro-2-hydroxy-phenyl)-2-hydroxy-4-methyl-2...)Show SMILES Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cc12 Show InChI InChI=1S/C22H20F4N2O5/c1-11-15-9-13(5-6-14(15)18(30)33-28-11)27-19(31)21(32,22(24,25)26)10-20(2,3)16-8-12(23)4-7-17(16)29/h4-9,29,32H,10H2,1-3H3,(H,27,31) | PDB
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards mineralocorticoid receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
Inhibitor of nuclear factor kappa-B kinase subunit beta
(Homo sapiens (Human)) | BDBM50302163
(3-amino-6-(4-aminopiperidin-1-yl)-4-propylthieno[2...)Show InChI InChI=1S/C16H23N5OS/c1-2-3-9-8-11(21-6-4-10(17)5-7-21)20-16-12(9)13(18)14(23-16)15(19)22/h8,10H,2-7,17-18H2,1H3,(H2,19,22) | PDB
NCI pathway
Reactome pathway
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of Flag epitope-tagged IKK-beta preincubated for 5 mins by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5547-51 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.054
BindingDB Entry DOI: 10.7270/Q22Z16G1 |
More data for this
Ligand-Target Pair | |
Progesterone receptor
(Homo sapiens (Human)) | BDBM50172027
(2-Cyclohexylmethyl-4-(5-fluoro-2-hydroxy-phenyl)-2...)Show SMILES CC(C)(CC(O)(CC1CCCCC1)C(=O)Nc1ccc2C(=O)OCc2c1)c1cc(F)ccc1O Show InChI InChI=1S/C27H32FNO5/c1-26(2,22-13-19(28)8-11-23(22)30)16-27(33,14-17-6-4-3-5-7-17)25(32)29-20-9-10-21-18(12-20)15-34-24(21)31/h8-13,17,30,33H,3-7,14-16H2,1-2H3,(H,29,32) | PDB
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Binding affinity towards progesterone receptor using fluorescence polarization competitive binding assay |
Bioorg Med Chem Lett 15: 4761-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.025
BindingDB Entry DOI: 10.7270/Q24T6K5P |
More data for this
Ligand-Target Pair | |
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