Found 48 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Cholecystokinin receptor type A
(RAT) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | 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 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50007439
(3-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-ind...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NC[C@H](NC(=O)C=CC(O)=O)c1ccccc1 |w:35.40,wU:21.28,17.19,1.0,wD:1.13,30.35,19.20,23.24,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(7.42,-12.42,;7.33,-10.91,;7.31,-9.36,;8.4,-8.29,;7.5,-7.05,;8.4,-5.8,;9.88,-6.28,;11.19,-5.5,;12.54,-6.27,;12.54,-7.82,;11.19,-8.59,;9.88,-7.82,;5.99,-11.7,;4.64,-10.94,;4.64,-9.4,;3.32,-11.71,;1.78,-11.71,;1.07,-13.06,;-.42,-13.72,;-1.41,-12.58,;-2.95,-12.26,;-1.31,-11.68,;-.63,-10.35,;.78,-10.54,;-.7,-11.16,;-.34,-12.73,;8.66,-11.67,;9.99,-10.87,;8.68,-13.21,;10.03,-13.96,;11.36,-13.19,;12.67,-12.38,;14.22,-12.38,;14.22,-10.84,;15.53,-11.61,;16.88,-12.37,;18.22,-11.58,;19.55,-12.35,;18.2,-10.04,;12.69,-13.95,;14.01,-13.16,;15.34,-13.92,;15.37,-15.47,;14.04,-16.24,;12.69,-15.49,)| Show InChI InChI=1S/C35H40N4O6/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/h2-12,19,21-22,24-25,29,32,36H,13-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21-,22+,24-,25+,29-,32?,35+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex Cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50452998
(CHEMBL2112693)Show SMILES O.[H][C@@](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@@]2([H])C[C@]3([H])C[C@@]([H])(C[C@@]1([H])C3)C2)(NC(=O)CC(O)=O)c1ccccc1 |wU:7.6,24.25,30.31,2.0,wD:2.40,33.35,27.28,TLB:22:23:26:30.36.29,THB:32:33:26:30.36.29,32:30:23.33.35:26,29:30:23:27.35.26,29:27:23:30.36.32,(21.23,-10.12,;15.18,-14.74,;15.19,-16.28,;13.87,-17.07,;12.52,-16.31,;12.51,-14.77,;13.84,-13.99,;11.18,-14,;11.27,-15.53,;11.17,-12.48,;12.26,-11.4,;11.34,-10.15,;12.26,-8.9,;13.71,-9.38,;15.05,-8.61,;16.37,-9.38,;16.37,-10.92,;15.05,-11.69,;13.71,-10.92,;9.85,-14.8,;8.5,-14.03,;8.48,-12.49,;7.17,-14.82,;5.63,-14.8,;4.65,-13.65,;5.37,-12.3,;3.24,-13.45,;2.57,-14.77,;1.55,-13.61,;.91,-15.37,;2.45,-15.67,;1.67,-17,;3.44,-16.82,;4.92,-16.15,;5.98,-17.27,;3.51,-15.83,;3.16,-14.26,;16.52,-15.5,;18.06,-15.5,;18.04,-13.96,;19.38,-14.73,;20.73,-15.48,;22.05,-14.69,;20.74,-17.02,;16.53,-17.05,;17.85,-16.27,;19.19,-17.02,;19.2,-18.56,;17.88,-19.35,;16.53,-18.59,)| Show InChI InChI=1S/C34H40N4O6.H2O/c1-34(17-25-18-35-27-10-6-5-9-26(25)27,38-33(43)44-31-23-12-20-11-21(14-23)15-24(31)13-20)32(42)36-19-28(22-7-3-2-4-8-22)37-29(39)16-30(40)41;/h2-10,18,20-21,23-24,28,31,35H,11-17,19H2,1H3,(H,36,42)(H,37,39)(H,38,43)(H,40,41);1H2/t20-,21+,23-,24+,28-,31?,34+;/m0./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex Cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50007449
(3-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-ind...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)C=CC(O)=O)Cc1ccccc1 |w:35.40,wU:19.27,17.29,23.24,29.33,1.0,wD:1.13,21.23,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,20:21:16:19.18.24,(21.99,-13.05,;21.9,-11.54,;21.87,-10,;22.97,-8.93,;22.07,-7.68,;22.97,-6.43,;24.44,-6.91,;25.76,-6.13,;27.11,-6.9,;27.11,-8.45,;25.76,-9.23,;24.44,-8.45,;20.56,-12.33,;19.21,-11.57,;19.21,-10.03,;17.89,-12.34,;16.34,-12.33,;15.36,-11.17,;13.94,-10.98,;13.27,-12.31,;11.63,-12.89,;13.16,-13.21,;14.16,-14.35,;15.65,-13.69,;14.23,-13.36,;13.88,-11.79,;23.22,-12.3,;24.56,-11.5,;23.24,-13.84,;24.59,-14.59,;24.6,-16.13,;23.28,-16.92,;23.29,-18.46,;24.63,-19.21,;21.96,-19.24,;20.62,-18.49,;19.3,-19.27,;17.95,-18.5,;19.31,-20.82,;25.92,-13.82,;27.26,-14.58,;28.57,-13.78,;29.9,-14.54,;29.93,-16.1,;28.61,-16.87,;27.26,-16.12,)| Show InChI InChI=1S/C36H42N4O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-35(45)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(44)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-12,20,23-26,28,33,37H,13-19,21H2,1H3,(H,38,41)(H,39,44)(H,40,45)(H,42,43)/t23-,24+,25-,26+,28-,33?,36+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50024321
(3-{2-[2-(3-tert-Butoxycarbonylamino-propionylamino...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50449787
(CHEMBL2062154 | PD-134308)Show SMILES [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1)[C@@]([H])(C2)C3 |wU:30.41,14.15,45.49,3.3,wD:6.6,1.0,TLB:5:3:47:9.6.8,10:9:47:3.48.2,THB:5:6:47:3.48.2,10:9:1.47.8:3.5.48,2:3:9:1.47.8,2:1:9:3.5.48,(-14.99,-2.1,;-13.56,-2.66,;-14.77,-3.94,;-13.26,-3.53,;-13.35,-5.06,;-11.86,-4.09,;-10.83,-2.82,;-9.38,-3.33,;-12.24,-3.16,;-10.83,-1.28,;-9.29,-1.31,;-8.5,.01,;-9.25,1.36,;-6.96,-.01,;-6.19,1.3,;-5.42,-.02,;-7.44,2.2,;-7.28,3.74,;-8.44,4.76,;-7.81,6.18,;-6.29,6.03,;-5.14,7.07,;-3.69,6.6,;-3.34,5.08,;-4.49,4.06,;-5.94,4.52,;-4.66,1.42,;-3.99,2.8,;-3.79,.15,;-2.27,.27,;-1.4,-1.02,;-2.08,-2.4,;-1.22,-3.69,;.32,-3.58,;-1.9,-5.07,;-3.43,-5.16,;-4.1,-6.57,;-5.64,-6.67,;-3.25,-7.83,;.14,-.91,;.99,-2.2,;2.51,-2.08,;3.19,-.7,;2.32,.59,;.8,.47,;-12.23,-.7,;-12.2,.82,;-13.58,-1.18,;-13.27,-1.94,)| 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)/t21-,22+,24-,25+,29-,32?,35+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex Cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50007448
(CHEMBL131754 | N-{2-[2-(Adamantan-2-yloxycarbonyla...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CC(O)=O)Cc1ccccc1 |wU:19.27,17.29,29.33,1.0,wD:1.13,21.23,23.26,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(17.95,-9.98,;17.85,-8.45,;17.85,-6.93,;18.94,-5.85,;18.03,-4.6,;18.94,-3.35,;20.41,-3.83,;21.73,-3.06,;23.07,-3.83,;23.07,-5.37,;21.73,-6.14,;20.41,-5.37,;16.53,-9.25,;15.19,-8.48,;15.18,-6.94,;13.86,-9.27,;12.32,-9.25,;11.34,-8.1,;9.92,-7.9,;9.25,-9.22,;7.6,-9.82,;9.12,-10.12,;10.12,-11.27,;11.61,-10.6,;10.2,-10.28,;9.85,-8.71,;19.2,-9.22,;20.51,-8.44,;19.2,-10.76,;20.54,-11.52,;20.57,-13.06,;19.23,-13.84,;19.25,-15.38,;20.58,-16.14,;17.91,-16.15,;16.59,-15.41,;15.25,-16.18,;16.57,-13.87,;21.88,-10.73,;23.21,-11.5,;23.21,-13.04,;24.55,-13.8,;25.87,-13,;25.87,-11.46,;24.52,-10.72,)| Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-29-10-6-5-9-28(26)29,39-34(44)45-32-24-12-22-11-23(14-24)15-25(32)13-22)33(43)38-27(16-21-7-3-2-4-8-21)20-37-30(40)17-31(41)42/h2-10,19,22-25,27,32,36H,11-18,20H2,1H3,(H,37,40)(H,38,43)(H,39,44)(H,41,42)/t22-,23+,24-,25+,27-,32?,35+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50007436
(CHEMBL334346 | Succinic acid mono-{2-[2-(adamantan...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](COC(=O)CCC(O)=O)Cc1ccccc1 |wU:21.28,23.26,17.19,29.33,1.0,wD:1.13,19.20,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,20:19:16:21.22.25,(16.6,-9.44,;16.5,-7.94,;16.49,-6.4,;17.58,-5.3,;16.66,-4.07,;17.58,-2.82,;19.04,-3.3,;20.37,-2.51,;21.7,-3.28,;21.7,-4.84,;20.37,-5.61,;19.04,-4.84,;15.18,-8.71,;13.83,-7.96,;13.81,-6.42,;12.49,-8.74,;10.95,-8.71,;10.25,-10.07,;8.77,-10.73,;7.78,-9.59,;6.24,-9.28,;7.89,-8.69,;8.57,-7.36,;9.98,-7.55,;8.48,-8.18,;8.83,-9.73,;17.84,-8.67,;19.16,-7.9,;17.85,-10.21,;19.2,-10.98,;19.2,-12.52,;17.88,-13.29,;17.88,-14.83,;19.23,-15.6,;16.57,-15.62,;15.22,-14.87,;13.9,-15.66,;12.56,-14.9,;13.9,-17.2,;20.51,-10.2,;21.86,-10.95,;23.18,-10.18,;24.51,-10.92,;24.52,-12.48,;23.21,-13.26,;21.86,-12.49,)| Show InChI InChI=1S/C36H43N3O7/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,39-35(44)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(43)38-28(18-22-7-3-2-4-8-22)21-45-32(42)12-11-31(40)41/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,43)(H,39,44)(H,40,41)/t23-,24+,25-,26+,28-,33?,36+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50007446
(CHEMBL335914 | N-{2-[2-(Adamantan-2-yloxycarbonyla...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1 |wU:21.28,17.19,29.33,1.0,wD:1.13,19.20,23.24,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(5.95,-4.92,;5.95,-3.38,;5.95,-1.84,;7.06,-.78,;6.14,.47,;7.06,1.72,;8.51,1.24,;9.85,2.01,;11.18,1.24,;11.18,-.3,;9.85,-1.07,;8.51,-.3,;4.65,-4.18,;3.3,-3.41,;3.28,-1.87,;1.97,-4.18,;.43,-4.18,;-.28,-5.53,;-1.76,-6.2,;-2.76,-5.05,;-4.29,-4.73,;-2.63,-4.15,;-1.96,-2.83,;-.55,-3.03,;-2.04,-3.64,;-1.69,-5.21,;7.29,-4.15,;7.29,-5.69,;8.63,-3.38,;9.96,-4.15,;9.96,-5.69,;8.63,-6.46,;9.14,-7.9,;10.65,-8.19,;8.15,-9.06,;6.64,-8.8,;5.63,-9.96,;6.14,-11.4,;4.11,-9.67,;11.29,-3.35,;12.62,-4.12,;13.96,-3.35,;15.28,-4.12,;15.3,-5.66,;13.96,-6.43,;12.62,-5.66,)| Show InChI InChI=1S/C36H44N4O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-35(45)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(44)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,41)(H,39,44)(H,40,45)(H,42,43)/t23-,24+,25-,26+,28-,33?,36+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex Cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50007443
(4-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-ind...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CCCC(O)=O)Cc1ccccc1 |wU:21.28,23.26,17.19,29.33,1.0,wD:1.13,19.20,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,20:19:16:21.22.25,(11.41,-8.37,;11.31,-6.86,;11.29,-5.31,;12.38,-4.24,;11.48,-3,;12.38,-1.75,;13.86,-2.23,;15.18,-1.45,;16.53,-2.22,;16.53,-3.77,;15.18,-4.54,;13.86,-3.77,;9.97,-7.65,;8.62,-6.89,;8.62,-5.35,;7.31,-7.66,;5.75,-7.65,;5.06,-9.01,;3.57,-9.67,;2.57,-8.53,;1.04,-8.21,;2.68,-7.63,;3.35,-6.3,;4.77,-6.49,;3.29,-7.11,;3.64,-8.68,;12.64,-7.62,;13.98,-6.82,;12.66,-9.16,;14.01,-9.91,;14.02,-11.45,;12.7,-12.25,;12.71,-13.79,;14.05,-14.54,;11.38,-14.57,;10.04,-13.82,;8.71,-14.6,;7.36,-13.83,;6.02,-14.62,;7.34,-12.29,;15.34,-9.14,;16.68,-9.9,;16.68,-11.42,;18.03,-12.19,;19.36,-11.42,;19.33,-9.87,;18,-9.11,)| Show InChI InChI=1S/C37H46N4O6/c1-37(20-28-21-38-31-11-6-5-10-30(28)31,41-36(46)47-34-26-15-24-14-25(17-26)18-27(34)16-24)35(45)40-29(19-23-8-3-2-4-9-23)22-39-32(42)12-7-13-33(43)44/h2-6,8-11,21,24-27,29,34,38H,7,12-20,22H2,1H3,(H,39,42)(H,40,45)(H,41,46)(H,43,44)/t24-,25+,26-,27+,29-,34?,37+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex Cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM81962
(S-L-365,260)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |r,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-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50007437
(CHEMBL423329 | [1-(1-Hydroxymethyl-2-phenyl-ethylc...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CO)Cc1ccccc1 |wU:21.28,23.26,17.19,29.33,1.0,wD:1.13,19.20,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,20:19:16:21.22.25,(14.92,-9.95,;14.82,-8.44,;14.8,-6.9,;15.89,-5.82,;14.99,-4.57,;15.89,-3.32,;17.37,-3.8,;18.68,-3.03,;20.03,-3.8,;20.03,-5.34,;18.68,-6.11,;17.37,-5.34,;13.49,-9.22,;12.14,-8.45,;12.14,-6.91,;10.82,-9.24,;9.27,-9.22,;8.58,-10.57,;7.09,-11.24,;6.1,-10.08,;4.57,-9.79,;6.2,-9.19,;6.88,-7.87,;8.29,-8.06,;6.81,-8.67,;7.17,-10.25,;16.15,-9.19,;17.49,-8.41,;16.17,-10.73,;17.52,-11.49,;17.53,-13.03,;16.2,-13.81,;18.84,-10.69,;20.18,-11.46,;20.18,-13,;21.53,-13.76,;22.85,-12.97,;22.82,-11.43,;21.5,-10.68,)| Show InChI InChI=1S/C32H39N3O4/c1-32(17-25-18-33-28-10-6-5-9-27(25)28,30(37)34-26(19-36)16-20-7-3-2-4-8-20)35-31(38)39-29-23-12-21-11-22(14-23)15-24(29)13-21/h2-10,18,21-24,26,29,33,36H,11-17,19H2,1H3,(H,34,37)(H,35,38)/t21-,22+,23-,24+,26-,29?,32+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50453000
(CHEMBL2112695)Show SMILES [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)NCC(OC(=O)CCC(O)=O)c1ccccc1)[C@@]([H])(C2)C3 |wU:14.15,1.0,6.6,wD:3.3,45.49,TLB:10:9:5:1.8.2,THB:47:45:5:1.8.2,47:1:5:9.45.48,2:3:9:1.8.47,2:1:9:3.5.48,(-2.04,-16.44,;-1.27,-15.12,;-2.79,-14.8,;-1.14,-14.22,;-2.15,-13.07,;-.47,-12.9,;.94,-13.09,;1.67,-11.75,;-.55,-13.71,;1.92,-14.26,;3.46,-14.26,;4.79,-13.49,;4.78,-11.95,;6.14,-14.24,;7.45,-13.45,;7.55,-14.96,;7.44,-11.91,;8.54,-10.84,;7.64,-9.6,;8.54,-8.35,;10.01,-8.83,;11.34,-8.05,;12.67,-8.82,;12.67,-10.37,;11.34,-11.14,;10.01,-10.37,;8.8,-14.21,;10.12,-13.42,;8.8,-15.75,;10.15,-16.5,;11.21,-15.35,;12.8,-14.95,;14.13,-14.16,;14.12,-12.62,;15.47,-14.92,;16.79,-14.13,;18.14,-14.89,;19.45,-14.1,;18.16,-16.43,;12.81,-16.49,;14.13,-15.7,;15.47,-16.46,;15.5,-18.01,;14.16,-18.78,;12.81,-18.03,;1.22,-15.6,;2.26,-16.73,;-.28,-16.27,;-.19,-15.27,)| Show InChI InChI=1S/C35H41N3O7/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,38-34(43)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(42)37-20-29(23-7-3-2-4-8-23)44-31(41)12-11-30(39)40/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,42)(H,38,43)(H,39,40)/t21-,22+,24-,25+,29?,32?,35-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50452999
(CHEMBL2112694)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NC[C@H](NC(=O)CCCC(O)=O)c1ccccc1 |TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,20:19:16:21.25.22| Show InChI InChI=1S/C36H44N4O6.C2H4O2/c1-36(19-27-20-37-29-11-6-5-10-28(27)29,40-35(45)46-33-25-15-22-14-23(17-25)18-26(33)16-22)34(44)38-21-30(24-8-3-2-4-9-24)39-31(41)12-7-13-32(42)43;1-2(3)4/h2-6,8-11,20,22-23,25-26,30,33,37H,7,12-19,21H2,1H3,(H,38,44)(H,39,41)(H,40,45)(H,42,43);1H3,(H,3,4)/t22-,23+,25-,26+,30-,33?,36+;/m0./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex Cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50007442
(CHEMBL337661 | N-{2-[2-(Adamantan-2-yloxycarbonyla...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@@H](CNC(=O)CCC(O)=O)Cc1ccccc1 |wU:21.28,17.19,1.0,wD:1.13,19.20,23.24,29.33,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(5.56,-4.95,;5.56,-3.41,;5.56,-1.87,;6.65,-.78,;5.72,.44,;6.65,1.69,;8.1,1.21,;9.44,2.01,;10.76,1.24,;10.76,-.33,;9.44,-1.1,;8.1,-.33,;4.25,-4.18,;2.9,-3.44,;2.87,-1.9,;1.55,-4.21,;.01,-4.21,;-.69,-5.56,;-2.17,-6.2,;-3.17,-5.08,;-4.71,-4.76,;-3.04,-4.18,;-2.36,-2.83,;-.95,-3.03,;-2.46,-3.67,;-2.11,-5.21,;6.88,-4.18,;6.88,-5.72,;8.22,-3.38,;9.54,-4.15,;9.54,-5.69,;8.22,-6.46,;8.74,-7.9,;10.25,-8.19,;7.74,-9.09,;6.23,-8.8,;5.21,-9.99,;5.72,-11.43,;3.7,-9.7,;10.89,-3.38,;12.2,-4.15,;13.55,-3.38,;14.87,-4.12,;14.9,-5.69,;13.55,-6.46,;12.2,-5.69,)| Show InChI InChI=1S/C36H44N4O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-35(45)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(44)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,41)(H,39,44)(H,40,45)(H,42,43)/t23-,24+,25-,26+,28-,33?,36-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | 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
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50007453
(CHEMBL321946 | [(S)-2-(1H-Indol-3-yl)-1-methyl-1-p...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 |TLB:25:21:24:16.17.18,THB:20:21:16:19.24.18,20:19:16:21.22.25| Show InChI InChI=1S/C31H37N3O3/c1-31(18-25-19-33-27-10-6-5-9-26(25)27,29(35)32-12-11-20-7-3-2-4-8-20)34-30(36)37-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,33H,11-18H2,1H3,(H,32,35)(H,34,36)/t21-,22+,23-,24+,28?,31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50452996
(CHEMBL2111884)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25| Show InChI InChI=1S/C36H44N4O6/c1-36(20-27-21-38-30-10-6-5-9-28(27)30,40-35(45)46-33-25-16-22-15-23(18-25)19-26(33)17-22)34(44)37-14-13-29(24-7-3-2-4-8-24)39-31(41)11-12-32(42)43/h2-10,21-23,25-26,29,33,38H,11-20H2,1H3,(H,37,44)(H,39,41)(H,40,45)(H,42,43)/t22-,23+,25-,26+,29-,33?,36+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005823
(CHEMBL291033 | [2-(1H-Indol-3-yl)-1-methyl-1-phene...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 |wU:21.23,23.26,17.19,wD:19.27,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,20:19:16:21.22.25,(13.64,-8.63,;12.89,-7.3,;11.64,-6.4,;11.8,-4.86,;10.64,-3.84,;11.27,-2.42,;12.8,-2.57,;13.93,-1.52,;15.4,-1.99,;15.74,-3.52,;14.58,-4.54,;13.13,-4.08,;12.1,-8.62,;10.56,-8.6,;9.82,-7.25,;9.79,-9.91,;8.24,-9.88,;8.24,-11.43,;7.21,-12.7,;5.8,-12.13,;4.31,-12.55,;5.51,-11.27,;5.48,-9.79,;6.85,-9.3,;5.8,-10.55,;6.83,-11.77,;14.42,-7.18,;15.09,-5.8,;15.29,-8.46,;16.82,-8.34,;17.66,-9.63,;19.21,-9.52,;19.88,-8.14,;21.42,-8.02,;22.28,-9.3,;21.61,-10.69,;20.08,-10.78,)| Show InChI InChI=1S/C31H37N3O3/c1-31(18-25-19-33-27-10-6-5-9-26(25)27,29(35)32-12-11-20-7-3-2-4-8-20)34-30(36)37-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,33H,11-18H2,1H3,(H,32,35)(H,34,36)/t21-,22+,23-,24+,28?,31? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50007445
(CHEMBL133101 | N-{3-[2-(Adamantan-2-yloxycarbonyla...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |wU:19.20,23.24,wD:31.36,21.28,17.19,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(6.19,-9.8,;6.2,-8.26,;6.19,-6.74,;7.28,-5.66,;6.36,-4.41,;7.28,-3.15,;8.74,-3.64,;10.07,-2.87,;11.4,-3.64,;11.4,-5.18,;10.07,-5.95,;8.74,-5.18,;4.88,-9.06,;3.53,-8.29,;3.51,-6.75,;2.19,-9.08,;.65,-9.06,;-.32,-7.9,;-1.73,-7.71,;-2.41,-9.03,;-4.06,-9.62,;-2.52,-9.92,;-1.53,-11.08,;-.05,-10.41,;-1.46,-10.08,;-1.82,-8.51,;7.52,-9.03,;7.52,-10.57,;8.85,-8.26,;10.18,-9.03,;10.18,-10.57,;11.53,-11.33,;12.87,-10.56,;14.19,-11.33,;14.19,-12.87,;15.53,-10.53,;16.85,-11.3,;18.2,-10.53,;19.52,-11.3,;18.19,-8.99,;11.53,-12.87,;10.2,-13.64,;10.21,-15.18,;11.55,-15.95,;12.88,-15.15,;12.88,-13.61,)| Show InChI InChI=1S/C36H44N4O6/c1-36(20-27-21-38-30-10-6-5-9-28(27)30,40-35(45)46-33-25-16-22-15-23(18-25)19-26(33)17-22)34(44)37-14-13-29(24-7-3-2-4-8-24)39-31(41)11-12-32(42)43/h2-10,21-23,25-26,29,33,38H,11-20H2,1H3,(H,37,44)(H,39,41)(H,40,45)(H,42,43)/t22-,23+,25-,26+,29-,33?,36?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50452997
(CHEMBL2112692)Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25| Show InChI InChI=1S/C36H44N4O6/c1-36(20-27-21-38-30-10-6-5-9-28(27)30,40-35(45)46-33-25-16-22-15-23(18-25)19-26(33)17-22)34(44)37-14-13-29(24-7-3-2-4-8-24)39-31(41)11-12-32(42)43/h2-10,21-23,25-26,29,33,38H,11-20H2,1H3,(H,37,44)(H,39,41)(H,40,45)(H,42,43)/t22-,23+,25-,26+,29-,33?,36-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50007452
(CHEMBL130578 | N-{2-[2-(Adamantan-2-yloxycarbonyla...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@@H](CNC(=O)CCC(O)=O)Cc1ccccc1 |wU:21.28,17.19,wD:19.20,23.24,29.33,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(13.83,-9.63,;13.84,-8.09,;13.83,-6.56,;14.92,-5.47,;14,-4.24,;14.92,-2.98,;16.37,-3.47,;17.71,-2.67,;19.04,-3.44,;19.04,-5.01,;17.71,-5.78,;16.37,-5.01,;12.51,-8.87,;11.17,-8.12,;11.14,-6.58,;9.83,-8.9,;8.29,-8.89,;7.58,-10.23,;6.11,-10.89,;5.11,-9.75,;3.57,-9.44,;5.23,-8.86,;5.9,-7.52,;7.32,-7.71,;5.82,-8.34,;6.17,-9.89,;15.15,-8.86,;15.15,-10.4,;16.49,-8.06,;17.82,-8.83,;17.82,-10.37,;16.5,-11.14,;17.02,-12.61,;18.52,-12.88,;16.01,-13.77,;14.5,-13.49,;13.49,-14.66,;14,-16.12,;11.98,-14.38,;19.15,-8.06,;20.48,-8.83,;21.82,-8.05,;23.14,-8.8,;23.16,-10.36,;21.83,-11.14,;20.48,-10.37,)| Show InChI InChI=1S/C36H44N4O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-35(45)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(44)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,41)(H,39,44)(H,40,45)(H,42,43)/t23-,24+,25-,26+,28-,33?,36?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50007441
(CHEMBL337461 | N-{2-[2-(Adamantan-2-yloxycarbonyla...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1 |wU:21.28,17.19,29.33,wD:19.20,23.24,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(13.68,-12.84,;13.68,-11.3,;13.68,-9.76,;14.77,-8.69,;13.86,-7.45,;14.77,-6.2,;16.23,-6.68,;17.56,-5.9,;18.9,-6.67,;18.9,-8.22,;17.56,-8.99,;16.23,-8.22,;12.36,-12.1,;11.02,-11.34,;11,-9.8,;9.69,-12.11,;8.15,-12.11,;7.44,-13.45,;5.95,-14.12,;4.95,-12.97,;3.43,-12.65,;5.08,-12.07,;5.75,-10.75,;7.17,-10.92,;5.68,-11.56,;6.03,-13.12,;15.02,-12.07,;15.02,-13.61,;16.34,-11.29,;17.68,-12.06,;17.68,-13.6,;16.34,-14.37,;16.85,-15.83,;18.36,-16.11,;15.86,-16.98,;14.35,-16.72,;13.35,-17.88,;13.86,-19.33,;11.82,-17.59,;19,-11.27,;20.34,-12.04,;21.67,-11.27,;23,-12.03,;23.01,-13.58,;21.67,-14.35,;20.34,-13.58,)| Show InChI InChI=1S/C36H44N4O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-35(45)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(44)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,41)(H,39,44)(H,40,45)(H,42,43)/t23-,24+,25-,26+,28-,33?,36?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM81962
(S-L-365,260)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |r,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-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005823
(CHEMBL291033 | [2-(1H-Indol-3-yl)-1-methyl-1-phene...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 |wU:21.23,23.26,17.19,wD:19.27,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,20:19:16:21.22.25,(13.64,-8.63,;12.89,-7.3,;11.64,-6.4,;11.8,-4.86,;10.64,-3.84,;11.27,-2.42,;12.8,-2.57,;13.93,-1.52,;15.4,-1.99,;15.74,-3.52,;14.58,-4.54,;13.13,-4.08,;12.1,-8.62,;10.56,-8.6,;9.82,-7.25,;9.79,-9.91,;8.24,-9.88,;8.24,-11.43,;7.21,-12.7,;5.8,-12.13,;4.31,-12.55,;5.51,-11.27,;5.48,-9.79,;6.85,-9.3,;5.8,-10.55,;6.83,-11.77,;14.42,-7.18,;15.09,-5.8,;15.29,-8.46,;16.82,-8.34,;17.66,-9.63,;19.21,-9.52,;19.88,-8.14,;21.42,-8.02,;22.28,-9.3,;21.61,-10.69,;20.08,-10.78,)| Show InChI InChI=1S/C31H37N3O3/c1-31(18-25-19-33-27-10-6-5-9-26(25)27,29(35)32-12-11-20-7-3-2-4-8-20)34-30(36)37-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,33H,11-18H2,1H3,(H,32,35)(H,34,36)/t21-,22+,23-,24+,28?,31? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005823
(CHEMBL291033 | [2-(1H-Indol-3-yl)-1-methyl-1-phene...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 |wU:21.23,23.26,17.19,wD:19.27,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,20:19:16:21.22.25,(13.64,-8.63,;12.89,-7.3,;11.64,-6.4,;11.8,-4.86,;10.64,-3.84,;11.27,-2.42,;12.8,-2.57,;13.93,-1.52,;15.4,-1.99,;15.74,-3.52,;14.58,-4.54,;13.13,-4.08,;12.1,-8.62,;10.56,-8.6,;9.82,-7.25,;9.79,-9.91,;8.24,-9.88,;8.24,-11.43,;7.21,-12.7,;5.8,-12.13,;4.31,-12.55,;5.51,-11.27,;5.48,-9.79,;6.85,-9.3,;5.8,-10.55,;6.83,-11.77,;14.42,-7.18,;15.09,-5.8,;15.29,-8.46,;16.82,-8.34,;17.66,-9.63,;19.21,-9.52,;19.88,-8.14,;21.42,-8.02,;22.28,-9.3,;21.61,-10.69,;20.08,-10.78,)| Show InChI InChI=1S/C31H37N3O3/c1-31(18-25-19-33-27-10-6-5-9-26(25)27,29(35)32-12-11-20-7-3-2-4-8-20)34-30(36)37-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,33H,11-18H2,1H3,(H,32,35)(H,34,36)/t21-,22+,23-,24+,28?,31? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50007449
(3-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-ind...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)C=CC(O)=O)Cc1ccccc1 |w:35.40,wU:19.27,17.29,23.24,29.33,1.0,wD:1.13,21.23,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,20:21:16:19.18.24,(21.99,-13.05,;21.9,-11.54,;21.87,-10,;22.97,-8.93,;22.07,-7.68,;22.97,-6.43,;24.44,-6.91,;25.76,-6.13,;27.11,-6.9,;27.11,-8.45,;25.76,-9.23,;24.44,-8.45,;20.56,-12.33,;19.21,-11.57,;19.21,-10.03,;17.89,-12.34,;16.34,-12.33,;15.36,-11.17,;13.94,-10.98,;13.27,-12.31,;11.63,-12.89,;13.16,-13.21,;14.16,-14.35,;15.65,-13.69,;14.23,-13.36,;13.88,-11.79,;23.22,-12.3,;24.56,-11.5,;23.24,-13.84,;24.59,-14.59,;24.6,-16.13,;23.28,-16.92,;23.29,-18.46,;24.63,-19.21,;21.96,-19.24,;20.62,-18.49,;19.3,-19.27,;17.95,-18.5,;19.31,-20.82,;25.92,-13.82,;27.26,-14.58,;28.57,-13.78,;29.9,-14.54,;29.93,-16.1,;28.61,-16.87,;27.26,-16.12,)| Show InChI InChI=1S/C36H42N4O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-35(45)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(44)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-12,20,23-26,28,33,37H,13-19,21H2,1H3,(H,38,41)(H,39,44)(H,40,45)(H,42,43)/t23-,24+,25-,26+,28-,33?,36+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50007448
(CHEMBL131754 | N-{2-[2-(Adamantan-2-yloxycarbonyla...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CC(O)=O)Cc1ccccc1 |wU:19.27,17.29,29.33,1.0,wD:1.13,21.23,23.26,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,(17.95,-9.98,;17.85,-8.45,;17.85,-6.93,;18.94,-5.85,;18.03,-4.6,;18.94,-3.35,;20.41,-3.83,;21.73,-3.06,;23.07,-3.83,;23.07,-5.37,;21.73,-6.14,;20.41,-5.37,;16.53,-9.25,;15.19,-8.48,;15.18,-6.94,;13.86,-9.27,;12.32,-9.25,;11.34,-8.1,;9.92,-7.9,;9.25,-9.22,;7.6,-9.82,;9.12,-10.12,;10.12,-11.27,;11.61,-10.6,;10.2,-10.28,;9.85,-8.71,;19.2,-9.22,;20.51,-8.44,;19.2,-10.76,;20.54,-11.52,;20.57,-13.06,;19.23,-13.84,;19.25,-15.38,;20.58,-16.14,;17.91,-16.15,;16.59,-15.41,;15.25,-16.18,;16.57,-13.87,;21.88,-10.73,;23.21,-11.5,;23.21,-13.04,;24.55,-13.8,;25.87,-13,;25.87,-11.46,;24.52,-10.72,)| Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-29-10-6-5-9-28(26)29,39-34(44)45-32-24-12-22-11-23(14-24)15-25(32)13-22)33(43)38-27(16-21-7-3-2-4-8-21)20-37-30(40)17-31(41)42/h2-10,19,22-25,27,32,36H,11-18,20H2,1H3,(H,37,40)(H,38,43)(H,39,44)(H,41,42)/t22-,23+,24-,25+,27-,32?,35+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50007452
(CHEMBL130578 | N-{2-[2-(Adamantan-2-yloxycarbonyla...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@@H](CNC(=O)CCC(O)=O)Cc1ccccc1 |wU:21.28,17.19,wD:19.20,23.24,29.33,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(13.83,-9.63,;13.84,-8.09,;13.83,-6.56,;14.92,-5.47,;14,-4.24,;14.92,-2.98,;16.37,-3.47,;17.71,-2.67,;19.04,-3.44,;19.04,-5.01,;17.71,-5.78,;16.37,-5.01,;12.51,-8.87,;11.17,-8.12,;11.14,-6.58,;9.83,-8.9,;8.29,-8.89,;7.58,-10.23,;6.11,-10.89,;5.11,-9.75,;3.57,-9.44,;5.23,-8.86,;5.9,-7.52,;7.32,-7.71,;5.82,-8.34,;6.17,-9.89,;15.15,-8.86,;15.15,-10.4,;16.49,-8.06,;17.82,-8.83,;17.82,-10.37,;16.5,-11.14,;17.02,-12.61,;18.52,-12.88,;16.01,-13.77,;14.5,-13.49,;13.49,-14.66,;14,-16.12,;11.98,-14.38,;19.15,-8.06,;20.48,-8.83,;21.82,-8.05,;23.14,-8.8,;23.16,-10.36,;21.83,-11.14,;20.48,-10.37,)| Show InChI InChI=1S/C36H44N4O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-35(45)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(44)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,41)(H,39,44)(H,40,45)(H,42,43)/t23-,24+,25-,26+,28-,33?,36?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 580 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50024321
(3-{2-[2-(3-tert-Butoxycarbonylamino-propionylamino...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005823
(CHEMBL291033 | [2-(1H-Indol-3-yl)-1-methyl-1-phene...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 |wU:21.23,23.26,17.19,wD:19.27,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:16.23.24:18,20:19:16:21.22.25,(13.64,-8.63,;12.89,-7.3,;11.64,-6.4,;11.8,-4.86,;10.64,-3.84,;11.27,-2.42,;12.8,-2.57,;13.93,-1.52,;15.4,-1.99,;15.74,-3.52,;14.58,-4.54,;13.13,-4.08,;12.1,-8.62,;10.56,-8.6,;9.82,-7.25,;9.79,-9.91,;8.24,-9.88,;8.24,-11.43,;7.21,-12.7,;5.8,-12.13,;4.31,-12.55,;5.51,-11.27,;5.48,-9.79,;6.85,-9.3,;5.8,-10.55,;6.83,-11.77,;14.42,-7.18,;15.09,-5.8,;15.29,-8.46,;16.82,-8.34,;17.66,-9.63,;19.21,-9.52,;19.88,-8.14,;21.42,-8.02,;22.28,-9.3,;21.61,-10.69,;20.08,-10.78,)| Show InChI InChI=1S/C31H37N3O3/c1-31(18-25-19-33-27-10-6-5-9-26(25)27,29(35)32-12-11-20-7-3-2-4-8-20)34-30(36)37-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,33H,11-18H2,1H3,(H,32,35)(H,34,36)/t21-,22+,23-,24+,28?,31? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50007453
(CHEMBL321946 | [(S)-2-(1H-Indol-3-yl)-1-methyl-1-p...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCCc1ccccc1 |TLB:25:21:24:16.17.18,THB:20:21:16:19.24.18,20:19:16:21.22.25| Show InChI InChI=1S/C31H37N3O3/c1-31(18-25-19-33-27-10-6-5-9-26(25)27,29(35)32-12-11-20-7-3-2-4-8-20)34-30(36)37-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,33H,11-18H2,1H3,(H,32,35)(H,34,36)/t21-,22+,23-,24+,28?,31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50007436
(CHEMBL334346 | Succinic acid mono-{2-[2-(adamantan...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](COC(=O)CCC(O)=O)Cc1ccccc1 |wU:21.28,23.26,17.19,29.33,1.0,wD:1.13,19.20,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,20:19:16:21.22.25,(16.6,-9.44,;16.5,-7.94,;16.49,-6.4,;17.58,-5.3,;16.66,-4.07,;17.58,-2.82,;19.04,-3.3,;20.37,-2.51,;21.7,-3.28,;21.7,-4.84,;20.37,-5.61,;19.04,-4.84,;15.18,-8.71,;13.83,-7.96,;13.81,-6.42,;12.49,-8.74,;10.95,-8.71,;10.25,-10.07,;8.77,-10.73,;7.78,-9.59,;6.24,-9.28,;7.89,-8.69,;8.57,-7.36,;9.98,-7.55,;8.48,-8.18,;8.83,-9.73,;17.84,-8.67,;19.16,-7.9,;17.85,-10.21,;19.2,-10.98,;19.2,-12.52,;17.88,-13.29,;17.88,-14.83,;19.23,-15.6,;16.57,-15.62,;15.22,-14.87,;13.9,-15.66,;12.56,-14.9,;13.9,-17.2,;20.51,-10.2,;21.86,-10.95,;23.18,-10.18,;24.51,-10.92,;24.52,-12.48,;23.21,-13.26,;21.86,-12.49,)| Show InChI InChI=1S/C36H43N3O7/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,39-35(44)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(43)38-28(18-22-7-3-2-4-8-22)21-45-32(42)12-11-31(40)41/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,43)(H,39,44)(H,40,41)/t23-,24+,25-,26+,28-,33?,36+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50007437
(CHEMBL423329 | [1-(1-Hydroxymethyl-2-phenyl-ethylc...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CO)Cc1ccccc1 |wU:21.28,23.26,17.19,29.33,1.0,wD:1.13,19.20,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,20:19:16:21.22.25,(14.92,-9.95,;14.82,-8.44,;14.8,-6.9,;15.89,-5.82,;14.99,-4.57,;15.89,-3.32,;17.37,-3.8,;18.68,-3.03,;20.03,-3.8,;20.03,-5.34,;18.68,-6.11,;17.37,-5.34,;13.49,-9.22,;12.14,-8.45,;12.14,-6.91,;10.82,-9.24,;9.27,-9.22,;8.58,-10.57,;7.09,-11.24,;6.1,-10.08,;4.57,-9.79,;6.2,-9.19,;6.88,-7.87,;8.29,-8.06,;6.81,-8.67,;7.17,-10.25,;16.15,-9.19,;17.49,-8.41,;16.17,-10.73,;17.52,-11.49,;17.53,-13.03,;16.2,-13.81,;18.84,-10.69,;20.18,-11.46,;20.18,-13,;21.53,-13.76,;22.85,-12.97,;22.82,-11.43,;21.5,-10.68,)| Show InChI InChI=1S/C32H39N3O4/c1-32(17-25-18-33-28-10-6-5-9-27(25)28,30(37)34-26(19-36)16-20-7-3-2-4-8-20)35-31(38)39-29-23-12-21-11-22(14-23)15-24(29)13-21/h2-10,18,21-24,26,29,33,36H,11-17,19H2,1H3,(H,34,37)(H,35,38)/t21-,22+,23-,24+,26-,29?,32+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50007439
(3-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-ind...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NC[C@H](NC(=O)C=CC(O)=O)c1ccccc1 |w:35.40,wU:21.28,17.19,1.0,wD:1.13,30.35,19.20,23.24,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(7.42,-12.42,;7.33,-10.91,;7.31,-9.36,;8.4,-8.29,;7.5,-7.05,;8.4,-5.8,;9.88,-6.28,;11.19,-5.5,;12.54,-6.27,;12.54,-7.82,;11.19,-8.59,;9.88,-7.82,;5.99,-11.7,;4.64,-10.94,;4.64,-9.4,;3.32,-11.71,;1.78,-11.71,;1.07,-13.06,;-.42,-13.72,;-1.41,-12.58,;-2.95,-12.26,;-1.31,-11.68,;-.63,-10.35,;.78,-10.54,;-.7,-11.16,;-.34,-12.73,;8.66,-11.67,;9.99,-10.87,;8.68,-13.21,;10.03,-13.96,;11.36,-13.19,;12.67,-12.38,;14.22,-12.38,;14.22,-10.84,;15.53,-11.61,;16.88,-12.37,;18.22,-11.58,;19.55,-12.35,;18.2,-10.04,;12.69,-13.95,;14.01,-13.16,;15.34,-13.92,;15.37,-15.47,;14.04,-16.24,;12.69,-15.49,)| Show InChI InChI=1S/C35H40N4O6/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/h2-12,19,21-22,24-25,29,32,36H,13-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21-,22+,24-,25+,29-,32?,35+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas Cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50453000
(CHEMBL2112695)Show SMILES [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)NCC(OC(=O)CCC(O)=O)c1ccccc1)[C@@]([H])(C2)C3 |wU:14.15,1.0,6.6,wD:3.3,45.49,TLB:10:9:5:1.8.2,THB:47:45:5:1.8.2,47:1:5:9.45.48,2:3:9:1.8.47,2:1:9:3.5.48,(-2.04,-16.44,;-1.27,-15.12,;-2.79,-14.8,;-1.14,-14.22,;-2.15,-13.07,;-.47,-12.9,;.94,-13.09,;1.67,-11.75,;-.55,-13.71,;1.92,-14.26,;3.46,-14.26,;4.79,-13.49,;4.78,-11.95,;6.14,-14.24,;7.45,-13.45,;7.55,-14.96,;7.44,-11.91,;8.54,-10.84,;7.64,-9.6,;8.54,-8.35,;10.01,-8.83,;11.34,-8.05,;12.67,-8.82,;12.67,-10.37,;11.34,-11.14,;10.01,-10.37,;8.8,-14.21,;10.12,-13.42,;8.8,-15.75,;10.15,-16.5,;11.21,-15.35,;12.8,-14.95,;14.13,-14.16,;14.12,-12.62,;15.47,-14.92,;16.79,-14.13,;18.14,-14.89,;19.45,-14.1,;18.16,-16.43,;12.81,-16.49,;14.13,-15.7,;15.47,-16.46,;15.5,-18.01,;14.16,-18.78,;12.81,-18.03,;1.22,-15.6,;2.26,-16.73,;-.28,-16.27,;-.19,-15.27,)| Show InChI InChI=1S/C35H41N3O7/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,38-34(43)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(42)37-20-29(23-7-3-2-4-8-23)44-31(41)12-11-30(39)40/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,42)(H,38,43)(H,39,40)/t21-,22+,24-,25+,29?,32?,35-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 810 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50007442
(CHEMBL337661 | N-{2-[2-(Adamantan-2-yloxycarbonyla...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@@H](CNC(=O)CCC(O)=O)Cc1ccccc1 |wU:21.28,17.19,1.0,wD:1.13,19.20,23.24,29.33,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(5.56,-4.95,;5.56,-3.41,;5.56,-1.87,;6.65,-.78,;5.72,.44,;6.65,1.69,;8.1,1.21,;9.44,2.01,;10.76,1.24,;10.76,-.33,;9.44,-1.1,;8.1,-.33,;4.25,-4.18,;2.9,-3.44,;2.87,-1.9,;1.55,-4.21,;.01,-4.21,;-.69,-5.56,;-2.17,-6.2,;-3.17,-5.08,;-4.71,-4.76,;-3.04,-4.18,;-2.36,-2.83,;-.95,-3.03,;-2.46,-3.67,;-2.11,-5.21,;6.88,-4.18,;6.88,-5.72,;8.22,-3.38,;9.54,-4.15,;9.54,-5.69,;8.22,-6.46,;8.74,-7.9,;10.25,-8.19,;7.74,-9.09,;6.23,-8.8,;5.21,-9.99,;5.72,-11.43,;3.7,-9.7,;10.89,-3.38,;12.2,-4.15,;13.55,-3.38,;14.87,-4.12,;14.9,-5.69,;13.55,-6.46,;12.2,-5.69,)| Show InChI InChI=1S/C36H44N4O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-35(45)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(44)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,41)(H,39,44)(H,40,45)(H,42,43)/t23-,24+,25-,26+,28-,33?,36-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50452998
(CHEMBL2112693)Show SMILES O.[H][C@@](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@@]2([H])C[C@]3([H])C[C@@]([H])(C[C@@]1([H])C3)C2)(NC(=O)CC(O)=O)c1ccccc1 |wU:7.6,24.25,30.31,2.0,wD:2.40,33.35,27.28,TLB:22:23:26:30.36.29,THB:32:33:26:30.36.29,32:30:23.33.35:26,29:30:23:27.35.26,29:27:23:30.36.32,(21.23,-10.12,;15.18,-14.74,;15.19,-16.28,;13.87,-17.07,;12.52,-16.31,;12.51,-14.77,;13.84,-13.99,;11.18,-14,;11.27,-15.53,;11.17,-12.48,;12.26,-11.4,;11.34,-10.15,;12.26,-8.9,;13.71,-9.38,;15.05,-8.61,;16.37,-9.38,;16.37,-10.92,;15.05,-11.69,;13.71,-10.92,;9.85,-14.8,;8.5,-14.03,;8.48,-12.49,;7.17,-14.82,;5.63,-14.8,;4.65,-13.65,;5.37,-12.3,;3.24,-13.45,;2.57,-14.77,;1.55,-13.61,;.91,-15.37,;2.45,-15.67,;1.67,-17,;3.44,-16.82,;4.92,-16.15,;5.98,-17.27,;3.51,-15.83,;3.16,-14.26,;16.52,-15.5,;18.06,-15.5,;18.04,-13.96,;19.38,-14.73,;20.73,-15.48,;22.05,-14.69,;20.74,-17.02,;16.53,-17.05,;17.85,-16.27,;19.19,-17.02,;19.2,-18.56,;17.88,-19.35,;16.53,-18.59,)| Show InChI InChI=1S/C34H40N4O6.H2O/c1-34(17-25-18-35-27-10-6-5-9-26(25)27,38-33(43)44-31-23-12-20-11-21(14-23)15-24(31)13-20)32(42)36-19-28(22-7-3-2-4-8-22)37-29(39)16-30(40)41;/h2-10,18,20-21,23-24,28,31,35H,11-17,19H2,1H3,(H,36,42)(H,37,39)(H,38,43)(H,40,41);1H2/t20-,21+,23-,24+,28-,31?,34+;/m0./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 870 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas Cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50007446
(CHEMBL335914 | N-{2-[2-(Adamantan-2-yloxycarbonyla...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1 |wU:21.28,17.19,29.33,1.0,wD:1.13,19.20,23.24,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(5.95,-4.92,;5.95,-3.38,;5.95,-1.84,;7.06,-.78,;6.14,.47,;7.06,1.72,;8.51,1.24,;9.85,2.01,;11.18,1.24,;11.18,-.3,;9.85,-1.07,;8.51,-.3,;4.65,-4.18,;3.3,-3.41,;3.28,-1.87,;1.97,-4.18,;.43,-4.18,;-.28,-5.53,;-1.76,-6.2,;-2.76,-5.05,;-4.29,-4.73,;-2.63,-4.15,;-1.96,-2.83,;-.55,-3.03,;-2.04,-3.64,;-1.69,-5.21,;7.29,-4.15,;7.29,-5.69,;8.63,-3.38,;9.96,-4.15,;9.96,-5.69,;8.63,-6.46,;9.14,-7.9,;10.65,-8.19,;8.15,-9.06,;6.64,-8.8,;5.63,-9.96,;6.14,-11.4,;4.11,-9.67,;11.29,-3.35,;12.62,-4.12,;13.96,-3.35,;15.28,-4.12,;15.3,-5.66,;13.96,-6.43,;12.62,-5.66,)| Show InChI InChI=1S/C36H44N4O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-35(45)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(44)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,41)(H,39,44)(H,40,45)(H,42,43)/t23-,24+,25-,26+,28-,33?,36+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 950 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas Cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50007441
(CHEMBL337461 | N-{2-[2-(Adamantan-2-yloxycarbonyla...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CCC(O)=O)Cc1ccccc1 |wU:21.28,17.19,29.33,wD:19.20,23.24,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(13.68,-12.84,;13.68,-11.3,;13.68,-9.76,;14.77,-8.69,;13.86,-7.45,;14.77,-6.2,;16.23,-6.68,;17.56,-5.9,;18.9,-6.67,;18.9,-8.22,;17.56,-8.99,;16.23,-8.22,;12.36,-12.1,;11.02,-11.34,;11,-9.8,;9.69,-12.11,;8.15,-12.11,;7.44,-13.45,;5.95,-14.12,;4.95,-12.97,;3.43,-12.65,;5.08,-12.07,;5.75,-10.75,;7.17,-10.92,;5.68,-11.56,;6.03,-13.12,;15.02,-12.07,;15.02,-13.61,;16.34,-11.29,;17.68,-12.06,;17.68,-13.6,;16.34,-14.37,;16.85,-15.83,;18.36,-16.11,;15.86,-16.98,;14.35,-16.72,;13.35,-17.88,;13.86,-19.33,;11.82,-17.59,;19,-11.27,;20.34,-12.04,;21.67,-11.27,;23,-12.03,;23.01,-13.58,;21.67,-14.35,;20.34,-13.58,)| Show InChI InChI=1S/C36H44N4O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-35(45)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(44)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-10,20,23-26,28,33,37H,11-19,21H2,1H3,(H,38,41)(H,39,44)(H,40,45)(H,42,43)/t23-,24+,25-,26+,28-,33?,36?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50007443
(4-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-ind...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)CCCC(O)=O)Cc1ccccc1 |wU:21.28,23.26,17.19,29.33,1.0,wD:1.13,19.20,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,20:19:16:21.22.25,(11.41,-8.37,;11.31,-6.86,;11.29,-5.31,;12.38,-4.24,;11.48,-3,;12.38,-1.75,;13.86,-2.23,;15.18,-1.45,;16.53,-2.22,;16.53,-3.77,;15.18,-4.54,;13.86,-3.77,;9.97,-7.65,;8.62,-6.89,;8.62,-5.35,;7.31,-7.66,;5.75,-7.65,;5.06,-9.01,;3.57,-9.67,;2.57,-8.53,;1.04,-8.21,;2.68,-7.63,;3.35,-6.3,;4.77,-6.49,;3.29,-7.11,;3.64,-8.68,;12.64,-7.62,;13.98,-6.82,;12.66,-9.16,;14.01,-9.91,;14.02,-11.45,;12.7,-12.25,;12.71,-13.79,;14.05,-14.54,;11.38,-14.57,;10.04,-13.82,;8.71,-14.6,;7.36,-13.83,;6.02,-14.62,;7.34,-12.29,;15.34,-9.14,;16.68,-9.9,;16.68,-11.42,;18.03,-12.19,;19.36,-11.42,;19.33,-9.87,;18,-9.11,)| Show InChI InChI=1S/C37H46N4O6/c1-37(20-28-21-38-31-11-6-5-10-30(28)31,41-36(46)47-34-26-15-24-14-25(17-26)18-27(34)16-24)35(45)40-29(19-23-8-3-2-4-9-23)22-39-32(42)12-7-13-33(43)44/h2-6,8-11,21,24-27,29,34,38H,7,12-20,22H2,1H3,(H,39,42)(H,40,45)(H,41,46)(H,43,44)/t24-,25+,26-,27+,29-,34?,37+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas Cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50452999
(CHEMBL2112694)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NC[C@H](NC(=O)CCCC(O)=O)c1ccccc1 |TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,20:19:16:21.25.22| Show InChI InChI=1S/C36H44N4O6.C2H4O2/c1-36(19-27-20-37-29-11-6-5-10-28(27)29,40-35(45)46-33-25-15-22-14-23(17-25)18-26(33)16-22)34(44)38-21-30(24-8-3-2-4-9-24)39-31(41)12-7-13-32(42)43;1-2(3)4/h2-6,8-11,20,22-23,25-26,30,33,37H,7,12-19,21H2,1H3,(H,38,44)(H,39,41)(H,40,45)(H,42,43);1H3,(H,3,4)/t22-,23+,25-,26+,30-,33?,36+;/m0./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas Cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50452997
(CHEMBL2112692)Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25| Show InChI InChI=1S/C36H44N4O6/c1-36(20-27-21-38-30-10-6-5-9-28(27)30,40-35(45)46-33-25-16-22-15-23(18-25)19-26(33)17-22)34(44)37-14-13-29(24-7-3-2-4-8-24)39-31(41)11-12-32(42)43/h2-10,21-23,25-26,29,33,38H,11-20H2,1H3,(H,37,44)(H,39,41)(H,40,45)(H,42,43)/t22-,23+,25-,26+,29-,33?,36-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50452996
(CHEMBL2111884)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25| Show InChI InChI=1S/C36H44N4O6/c1-36(20-27-21-38-30-10-6-5-9-28(27)30,40-35(45)46-33-25-16-22-15-23(18-25)19-26(33)17-22)34(44)37-14-13-29(24-7-3-2-4-8-24)39-31(41)11-12-32(42)43/h2-10,21-23,25-26,29,33,38H,11-20H2,1H3,(H,37,44)(H,39,41)(H,40,45)(H,42,43)/t22-,23+,25-,26+,29-,33?,36+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50449787
(CHEMBL2062154 | PD-134308)Show SMILES [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1)[C@@]([H])(C2)C3 |wU:30.41,14.15,45.49,3.3,wD:6.6,1.0,TLB:5:3:47:9.6.8,10:9:47:3.48.2,THB:5:6:47:3.48.2,10:9:1.47.8:3.5.48,2:3:9:1.47.8,2:1:9:3.5.48,(-14.99,-2.1,;-13.56,-2.66,;-14.77,-3.94,;-13.26,-3.53,;-13.35,-5.06,;-11.86,-4.09,;-10.83,-2.82,;-9.38,-3.33,;-12.24,-3.16,;-10.83,-1.28,;-9.29,-1.31,;-8.5,.01,;-9.25,1.36,;-6.96,-.01,;-6.19,1.3,;-5.42,-.02,;-7.44,2.2,;-7.28,3.74,;-8.44,4.76,;-7.81,6.18,;-6.29,6.03,;-5.14,7.07,;-3.69,6.6,;-3.34,5.08,;-4.49,4.06,;-5.94,4.52,;-4.66,1.42,;-3.99,2.8,;-3.79,.15,;-2.27,.27,;-1.4,-1.02,;-2.08,-2.4,;-1.22,-3.69,;.32,-3.58,;-1.9,-5.07,;-3.43,-5.16,;-4.1,-6.57,;-5.64,-6.67,;-3.25,-7.83,;.14,-.91,;.99,-2.2,;2.51,-2.08,;3.19,-.7,;2.32,.59,;.8,.47,;-12.23,-.7,;-12.2,.82,;-13.58,-1.18,;-13.27,-1.94,)| 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)/t21-,22+,24-,25+,29-,32?,35+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas Cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50007445
(CHEMBL133101 | N-{3-[2-(Adamantan-2-yloxycarbonyla...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NCC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |wU:19.20,23.24,wD:31.36,21.28,17.19,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(6.19,-9.8,;6.2,-8.26,;6.19,-6.74,;7.28,-5.66,;6.36,-4.41,;7.28,-3.15,;8.74,-3.64,;10.07,-2.87,;11.4,-3.64,;11.4,-5.18,;10.07,-5.95,;8.74,-5.18,;4.88,-9.06,;3.53,-8.29,;3.51,-6.75,;2.19,-9.08,;.65,-9.06,;-.32,-7.9,;-1.73,-7.71,;-2.41,-9.03,;-4.06,-9.62,;-2.52,-9.92,;-1.53,-11.08,;-.05,-10.41,;-1.46,-10.08,;-1.82,-8.51,;7.52,-9.03,;7.52,-10.57,;8.85,-8.26,;10.18,-9.03,;10.18,-10.57,;11.53,-11.33,;12.87,-10.56,;14.19,-11.33,;14.19,-12.87,;15.53,-10.53,;16.85,-11.3,;18.2,-10.53,;19.52,-11.3,;18.19,-8.99,;11.53,-12.87,;10.2,-13.64,;10.21,-15.18,;11.55,-15.95,;12.88,-15.15,;12.88,-13.61,)| Show InChI InChI=1S/C36H44N4O6/c1-36(20-27-21-38-30-10-6-5-9-28(27)30,40-35(45)46-33-25-16-22-15-23(18-25)19-26(33)17-22)34(44)37-14-13-29(24-7-3-2-4-8-24)39-31(41)11-12-32(42)43/h2-10,21-23,25-26,29,33,38H,11-20H2,1H3,(H,37,44)(H,39,41)(H,40,45)(H,42,43)/t22-,23+,25-,26+,29-,33?,36?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to rat pancreas cholecystokinin type A receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
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