Found 67 hits with Last Name = 'hinton' and Initial = 'jp' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062005
((S)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |wU:1.13,wD:29.33,1.0,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:21:16:19.18.25,20:19:16:21.23.22,(10.8,-2.25,;10.81,-3.63,;10.9,-5.18,;12.26,-5.88,;11.02,-6.79,;11.49,-8.25,;13.03,-8.24,;14.06,-9.39,;15.56,-9.07,;16.04,-7.61,;15.01,-6.46,;13.52,-6.79,;9.43,-3.12,;8.15,-3.96,;8.17,-5.43,;6.76,-3.28,;5.47,-4.12,;5.46,-5.67,;4.44,-6.95,;3.04,-6.37,;1.53,-6.79,;2.74,-5.52,;4.05,-6.01,;2.72,-4.03,;4.08,-3.55,;3.02,-4.78,;12.1,-2.95,;12.07,-1.57,;13.48,-3.63,;14.76,-2.78,;14.67,-1.25,;15.43,.09,;14.65,1.43,;16.98,.11,;16.14,-3.47,;17.43,-2.62,;17.34,-1.25,;18.6,-.23,;20,-.92,;20.1,-2.46,;18.81,-3.31,)| Show InChI InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21?,22?,23?,24?,26-,30?,33+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062000
(2-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-in...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1C(O)=O |wU:1.13,wD:1.0,TLB:15:16:23:19.25.20,18:19:23:16.17.22,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.23.22,(1.86,-7.02,;1.88,-8.39,;1.95,-9.94,;3.33,-10.64,;2.08,-11.55,;2.56,-13.03,;4.11,-13.02,;5.13,-14.17,;6.63,-13.85,;7.1,-12.37,;6.07,-11.24,;4.57,-11.55,;.49,-7.88,;-.8,-8.73,;-.77,-10.19,;-2.19,-8.04,;-3.48,-8.9,;-3.48,-10.43,;-4.51,-11.72,;-5.92,-11.15,;-7.41,-11.57,;-6.22,-10.29,;-4.89,-10.78,;-6.22,-8.8,;-4.87,-8.32,;-5.92,-9.55,;3.16,-7.71,;3.15,-6.33,;4.41,-8.44,;5.74,-7.68,;7.08,-8.44,;8.41,-7.69,;8.43,-6.14,;7.08,-5.37,;5.74,-6.13,;4.64,-5.03,;5.04,-3.54,;3.15,-5.42,)| Show InChI InChI=1S/C30H39N3O5/c1-30(15-21-16-31-24-8-4-2-6-22(21)24,28(36)32-25-9-5-3-7-23(25)27(34)35)33-29(37)38-26-19-11-17-10-18(13-19)14-20(26)12-17/h2,4,6,8,16-20,23,25-26,31H,3,5,7,9-15H2,1H3,(H,32,36)(H,33,37)(H,34,35)/t17?,18?,19?,20?,23?,25?,26?,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.990 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
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
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062003
(CHEMBL138233 | [(R)-2-(1H-Indol-3-yl)-1-((R)-2-met...)Show SMILES COC[C@H]1CCCN1NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:11.25,wD:11.12,3.2,TLB:36:35:33:30.29.31,THB:36:30:27.35.34:33,31:32:27:30.29.36,31:30:27:32.34.33,26:27:33:30.29.31,(8.73,-11.26,;8.31,-9.76,;6.82,-9.39,;6.39,-7.89,;7.35,-6.69,;6.5,-5.4,;5.01,-5.81,;4.94,-7.37,;3.66,-8.22,;2.42,-7.49,;2.39,-6.11,;1.13,-8.17,;1.12,-6.79,;1.22,-9.72,;2.58,-10.42,;1.34,-11.33,;1.81,-12.8,;3.35,-12.78,;4.38,-13.93,;5.88,-13.62,;6.36,-12.15,;5.33,-11,;3.84,-11.33,;-.25,-7.66,;-1.54,-8.5,;-1.51,-9.97,;-2.92,-7.82,;-4.21,-8.66,;-4.23,-10.21,;-5.63,-10.55,;-6.95,-10.06,;-8.16,-11.33,;-6.64,-10.91,;-5.24,-11.49,;-6.66,-9.32,;-5.61,-8.08,;-6.96,-8.57,)| Show InChI InChI=1S/C29H40N4O4/c1-29(15-22-16-30-25-8-4-3-7-24(22)25,27(34)32-33-9-5-6-23(33)17-36-2)31-28(35)37-26-20-11-18-10-19(13-20)14-21(26)12-18/h3-4,7-8,16,18-21,23,26,30H,5-6,9-15,17H2,1-2H3,(H,31,35)(H,32,34)/t18?,19?,20?,21?,23-,26?,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50061997
(CHEMBL138084 | [(R)-1-((1R,2R)-2-Hydroxy-cyclohexy...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H]1CCCC[C@H]1O |wU:1.13,29.33,wD:34.40,1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(8.08,-2.21,;8.11,-3.57,;8.18,-5.11,;9.56,-5.81,;8.32,-6.72,;8.78,-8.2,;10.33,-8.2,;11.36,-9.35,;12.86,-9.02,;13.32,-7.54,;12.29,-6.42,;10.8,-6.72,;6.72,-3.05,;5.44,-3.92,;5.46,-5.37,;4.03,-3.21,;2.75,-4.08,;2.75,-5.6,;1.34,-5.95,;.01,-5.46,;-1.19,-6.75,;.31,-6.33,;1.72,-6.89,;.31,-4.74,;1.37,-3.49,;.01,-3.99,;9.39,-2.89,;9.37,-1.51,;10.63,-3.61,;11.97,-2.86,;13.3,-3.61,;14.63,-2.86,;14.66,-1.32,;13.3,-.55,;11.97,-1.32,;10.87,-.22,)| Show InChI InChI=1S/C29H39N3O4/c1-29(27(34)31-24-8-4-5-9-25(24)33,15-21-16-30-23-7-3-2-6-22(21)23)32-28(35)36-26-19-11-17-10-18(13-19)14-20(26)12-17/h2-3,6-7,16-20,24-26,30,33H,4-5,8-15H2,1H3,(H,31,34)(H,32,35)/t17?,18?,19?,20?,24-,25-,26?,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50061994
(CHEMBL138112 | [(R)-1-(2-Cyano-cyclohexylcarbamoyl...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1C#N |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:19:16:21.22.23,20:21:16:19.18.25,(1.86,-7.02,;1.88,-8.39,;1.95,-9.94,;3.33,-10.64,;2.08,-11.55,;2.56,-13.03,;4.11,-13.02,;5.13,-14.17,;6.63,-13.85,;7.1,-12.37,;6.07,-11.24,;4.57,-11.55,;.49,-7.88,;-.8,-8.73,;-.77,-10.19,;-2.19,-8.04,;-3.48,-8.9,;-4.87,-8.32,;-6.22,-8.8,;-6.22,-10.29,;-7.41,-11.57,;-5.92,-11.15,;-5.92,-9.55,;-4.51,-11.72,;-3.48,-10.43,;-4.89,-10.78,;3.16,-7.71,;3.15,-6.33,;4.41,-8.44,;5.74,-7.68,;7.08,-8.44,;8.41,-7.69,;8.43,-6.14,;7.08,-5.37,;5.74,-6.13,;4.64,-5.03,;3.54,-3.93,)| Show InChI InChI=1S/C30H38N4O3/c1-30(15-23-17-32-26-9-5-3-7-24(23)26,28(35)33-25-8-4-2-6-20(25)16-31)34-29(36)37-27-21-11-18-10-19(13-21)14-22(27)12-18/h3,5,7,9,17-22,25,27,32H,2,4,6,8,10-15H2,1H3,(H,33,35)(H,34,36)/t18?,19?,20?,21?,22?,25?,27?,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062006
(CHEMBL344882 | [(R)-1-((1R,2R)-2-Hydroxy-cyclohept...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H]1CCCCC[C@H]1O |wU:1.13,29.33,wD:35.41,1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(9.7,-1.95,;9.72,-3.31,;9.79,-4.86,;11.17,-5.56,;9.92,-6.47,;10.4,-7.95,;11.95,-7.95,;12.96,-9.1,;14.48,-8.77,;14.95,-7.29,;13.92,-6.17,;12.42,-6.47,;8.32,-2.8,;7.04,-3.66,;7.06,-5.11,;5.65,-2.96,;4.34,-3.83,;4.34,-5.35,;2.95,-5.7,;1.62,-5.21,;.42,-6.5,;1.92,-6.08,;3.33,-6.64,;1.92,-4.48,;2.96,-3.24,;1.62,-3.73,;10.99,-2.63,;10.99,-1.25,;12.25,-3.36,;13.59,-2.61,;14.86,-3.47,;16.34,-3.01,;16.9,-1.58,;16.14,-.24,;14.6,-.01,;13.47,-1.04,;12.04,-.48,)| Show InChI InChI=1S/C30H41N3O4/c1-30(16-22-17-31-24-8-6-5-7-23(22)24,28(35)32-25-9-3-2-4-10-26(25)34)33-29(36)37-27-20-12-18-11-19(14-20)15-21(27)13-18/h5-8,17-21,25-27,31,34H,2-4,9-16H2,1H3,(H,32,35)(H,33,36)/t18?,19?,20?,21?,25-,26-,27?,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062001
(CHEMBL344380 | [(R)-1-(2-Hydroxy-cyclohexylcarbamo...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1O |wU:1.13,wD:1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(10.96,-3.48,;10.98,-4.85,;11.05,-6.4,;12.43,-7.1,;11.18,-8.02,;11.66,-9.49,;13.21,-9.48,;14.23,-10.63,;15.74,-10.31,;16.21,-8.84,;15.17,-7.7,;13.67,-8.02,;9.59,-4.34,;8.3,-5.19,;8.32,-6.66,;6.9,-4.5,;5.61,-5.35,;5.61,-6.89,;4.2,-7.24,;2.87,-6.75,;1.67,-8.02,;3.17,-7.6,;4.58,-8.18,;3.17,-6.01,;4.22,-4.78,;2.87,-5.26,;12.26,-4.17,;12.24,-2.79,;13.51,-4.9,;14.85,-4.13,;16.18,-4.9,;17.52,-4.15,;17.53,-2.6,;16.18,-1.83,;14.85,-2.59,;13.74,-1.48,)| Show InChI InChI=1S/C29H39N3O4/c1-29(27(34)31-24-8-4-5-9-25(24)33,15-21-16-30-23-7-3-2-6-22(21)23)32-28(35)36-26-19-11-17-10-18(13-19)14-20(26)12-17/h2-3,6-7,16-20,24-26,30,33H,4-5,8-15H2,1H3,(H,31,34)(H,32,35)/t17?,18?,19?,20?,24?,25?,26?,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50061988
(CHEMBL138657 | [(R)-1-((S)-1-Hydroxymethyl-2-pheny...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)Cc1ccccc1 |wU:1.13,wD:29.33,1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:19:16:21.23.22,20:21:16:19.18.25,15:16:22:19.18.20,(-.04,-8.98,;-.02,-10.34,;.05,-11.88,;1.42,-12.58,;.17,-13.49,;.65,-14.96,;2.19,-14.95,;3.2,-16.09,;4.71,-15.77,;5.18,-14.3,;4.16,-13.18,;2.67,-13.49,;-1.41,-9.83,;-2.7,-10.68,;-2.67,-12.13,;-4.07,-9.99,;-5.36,-10.84,;-5.36,-12.37,;-6.76,-12.72,;-8.08,-12.23,;-9.28,-13.5,;-7.78,-13.08,;-6.38,-13.65,;-7.79,-11.5,;-6.75,-10.27,;-8.11,-10.75,;1.24,-9.66,;1.24,-8.29,;2.62,-10.35,;3.9,-9.5,;3.81,-7.96,;4.58,-6.63,;5.28,-10.19,;6.56,-9.34,;6.48,-7.96,;7.74,-6.96,;9.13,-7.63,;9.22,-9.17,;7.94,-10.03,)| 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
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50061993
(CHEMBL337529 | [(R)-1-(3-Aza-bicyclo[3.2.2]non-3-y...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CC2CCC(CC2)C1 |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.22.23,(1.12,-6.79,;1.13,-8.18,;1.22,-9.72,;2.58,-10.42,;1.34,-11.33,;1.81,-12.8,;3.35,-12.79,;4.38,-13.93,;5.88,-13.62,;6.37,-12.15,;5.34,-11.01,;3.85,-11.33,;-.25,-7.66,;-1.54,-8.5,;-1.51,-9.98,;-2.93,-7.82,;-4.21,-8.67,;-5.61,-8.08,;-6.97,-8.57,;-6.95,-10.06,;-8.16,-11.33,;-6.65,-10.91,;-6.66,-9.32,;-5.24,-11.49,;-4.23,-10.21,;-5.63,-10.55,;2.42,-7.5,;2.39,-6.12,;3.66,-8.22,;4.95,-7.37,;6.28,-8.17,;7.73,-7.61,;8.2,-6.14,;7.33,-4.85,;5.79,-4.73,;5.79,-6.27,;6.55,-7.61,;4.74,-5.85,)| Show InChI InChI=1S/C31H42N4O3/c1-31(15-25-16-32-27-5-3-2-4-26(25)27,29(36)34-35-17-19-6-7-20(18-35)9-8-19)33-30(37)38-28-23-11-21-10-22(13-23)14-24(28)12-21/h2-5,16,19-24,28,32H,6-15,17-18H2,1H3,(H,33,37)(H,34,36)/t19?,20?,21?,22?,23?,24?,28?,31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50061990
((R)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1 |wU:1.13,29.33,wD:1.0,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:21:16:19.18.25,20:19:16:21.23.22,(10.8,-2.25,;10.81,-3.63,;10.9,-5.18,;12.26,-5.88,;11.02,-6.79,;11.49,-8.25,;13.03,-8.24,;14.06,-9.39,;15.56,-9.07,;16.04,-7.61,;15.01,-6.46,;13.52,-6.79,;9.43,-3.12,;8.15,-3.96,;8.17,-5.43,;6.76,-3.28,;5.47,-4.12,;5.46,-5.67,;4.44,-6.95,;3.04,-6.37,;1.53,-6.79,;2.74,-5.52,;4.05,-6.01,;2.72,-4.03,;4.08,-3.55,;3.02,-4.78,;12.1,-2.95,;12.07,-1.57,;13.48,-3.63,;14.76,-2.78,;14.67,-1.25,;15.43,.09,;14.65,1.43,;16.98,.11,;16.14,-3.47,;17.43,-2.62,;17.34,-1.25,;18.6,-.23,;20,-.92,;20.1,-2.46,;18.81,-3.31,)| Show InChI InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21?,22?,23?,24?,26-,30?,33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062008
(CHEMBL342932 | [(R)-1-(Azepan-1-ylcarbamoyl)-2-(1H...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CCCCCC1 |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.22.23,(2.25,-7.79,;2.25,-9.16,;2.34,-10.7,;3.71,-11.41,;2.47,-12.32,;2.93,-13.79,;4.48,-13.79,;5.51,-14.93,;7.01,-14.61,;7.49,-13.14,;6.46,-12.01,;4.97,-12.32,;.87,-8.64,;-.41,-9.5,;-.39,-10.96,;-1.8,-8.81,;-3.09,-9.67,;-4.49,-9.09,;-5.84,-9.57,;-5.83,-11.05,;-7.04,-12.33,;-5.52,-11.91,;-5.54,-10.32,;-4.12,-12.48,;-3.1,-11.2,;-4.51,-11.55,;3.54,-8.48,;3.52,-7.1,;4.78,-9.22,;6.07,-8.36,;7.4,-9.16,;8.85,-8.6,;9.32,-7.14,;8.46,-5.85,;6.91,-5.72,;5.86,-6.84,)| Show InChI InChI=1S/C29H40N4O3/c1-29(27(34)32-33-10-6-2-3-7-11-33,17-23-18-30-25-9-5-4-8-24(23)25)31-28(35)36-26-21-13-19-12-20(15-21)16-22(26)14-19/h4-5,8-9,18-22,26,30H,2-3,6-7,10-17H2,1H3,(H,31,35)(H,32,34)/t19?,20?,21?,22?,26?,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50454908
(CHEMBL2112795)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H]1CCCC[C@@H]1O |wU:34.40,wD:29.33,1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(1.86,-7.02,;1.88,-8.39,;1.95,-9.94,;3.33,-10.64,;2.08,-11.55,;2.56,-13.03,;4.11,-13.02,;5.13,-14.17,;6.63,-13.85,;7.1,-12.37,;6.07,-11.24,;4.57,-11.55,;.49,-7.88,;-.8,-8.73,;-.77,-10.19,;-2.19,-8.04,;-3.48,-8.9,;-3.48,-10.43,;-4.89,-10.78,;-6.22,-10.29,;-7.41,-11.57,;-5.92,-11.15,;-4.51,-11.72,;-5.92,-9.55,;-4.87,-8.32,;-6.22,-8.8,;3.16,-7.71,;3.15,-6.33,;4.41,-8.44,;5.74,-7.68,;7.08,-8.44,;8.41,-7.69,;8.43,-6.14,;7.08,-5.37,;5.74,-6.13,;4.64,-5.03,)| Show InChI InChI=1S/C29H39N3O4/c1-29(27(34)31-24-8-4-5-9-25(24)33,15-21-16-30-23-7-3-2-6-22(21)23)32-28(35)36-26-19-11-17-10-18(13-19)14-20(26)12-17/h2-3,6-7,16-20,24-26,30,33H,4-5,8-15H2,1H3,(H,31,34)(H,32,35)/t17?,18?,19?,20?,24-,25-,26?,29+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50061999
(CHEMBL138952 | [(R)-1-(1-Benzyl-2-phenyl-ethylcarb...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC(Cc1ccccc1)Cc1ccccc1 |wU:1.13,wD:1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:19:16:21.23.22,20:21:16:19.18.25,15:16:22:19.18.20,(-.04,-9,;-.02,-10.36,;.05,-11.9,;1.43,-12.61,;.17,-13.52,;.65,-14.99,;2.2,-14.98,;3.21,-16.13,;4.72,-15.81,;5.2,-14.34,;4.17,-13.21,;2.67,-13.52,;-1.42,-9.85,;-2.7,-10.7,;-2.68,-12.16,;-4.08,-10.01,;-5.37,-10.87,;-5.38,-12.4,;-6.78,-12.75,;-8.1,-12.26,;-9.3,-13.53,;-7.8,-13.11,;-6.4,-13.68,;-7.81,-11.52,;-6.77,-10.29,;-8.13,-10.77,;1.25,-9.68,;1.24,-8.3,;2.63,-10.38,;3.91,-9.52,;5.29,-10.21,;6.79,-9.8,;7.16,-8.33,;8.63,-7.91,;9.73,-9,;9.35,-10.48,;7.86,-10.89,;3.82,-7.98,;5.1,-7.13,;6.48,-7.81,;7.77,-6.97,;7.67,-5.43,;6.27,-4.74,;5,-5.59,)| Show InChI InChI=1S/C38H43N3O3/c1-38(23-31-24-39-34-15-9-8-14-33(31)34,41-37(43)44-35-29-17-27-16-28(19-29)20-30(35)18-27)36(42)40-32(21-25-10-4-2-5-11-25)22-26-12-6-3-7-13-26/h2-15,24,27-30,32,35,39H,16-23H2,1H3,(H,40,42)(H,41,43)/t27?,28?,29?,30?,35?,38-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062012
(CHEMBL344211 | [(R)-2-(1H-Indol-3-yl)-1-methyl-1-(...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CCCCC1 |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.22.23,(2.25,-7.79,;2.25,-9.16,;2.34,-10.7,;3.71,-11.41,;2.47,-12.32,;2.93,-13.79,;4.48,-13.78,;5.51,-14.93,;7.01,-14.61,;7.49,-13.14,;6.46,-12.01,;4.97,-12.32,;.87,-8.64,;-.41,-9.5,;-.39,-10.96,;-1.8,-8.81,;-3.09,-9.67,;-4.49,-9.09,;-5.84,-9.57,;-5.83,-11.05,;-7.04,-12.33,;-5.52,-11.91,;-5.54,-10.32,;-4.12,-12.48,;-3.1,-11.19,;-4.51,-11.55,;3.54,-8.48,;3.52,-7.1,;4.78,-9.22,;6.07,-8.36,;5.97,-6.82,;7.26,-5.98,;8.64,-6.67,;8.74,-8.2,;7.45,-9.06,)| Show InChI InChI=1S/C28H38N4O3/c1-28(26(33)31-32-9-5-2-6-10-32,16-22-17-29-24-8-4-3-7-23(22)24)30-27(34)35-25-20-12-18-11-19(14-20)15-21(25)13-18/h3-4,7-8,17-21,25,29H,2,5-6,9-16H2,1H3,(H,30,34)(H,31,33)/t18?,19?,20?,21?,25?,28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062015
(CHEMBL139601 | [(R)-1-((1S,2S)-2-Hydroxy-cyclohept...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H]1CCCCC[C@@H]1O |wU:1.13,35.41,wD:29.33,1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(10.61,-3.24,;10.63,-4.59,;10.7,-6.14,;12.08,-6.84,;10.84,-7.75,;11.31,-9.23,;12.86,-9.23,;13.89,-10.38,;15.38,-10.05,;15.85,-8.57,;14.82,-7.45,;13.32,-7.75,;9.25,-4.08,;7.97,-4.95,;7.99,-6.4,;6.56,-4.24,;5.27,-5.11,;5.27,-6.63,;3.87,-6.98,;2.54,-6.49,;1.34,-7.78,;2.84,-7.36,;4.24,-7.92,;2.84,-5.77,;3.89,-4.52,;2.54,-5.02,;11.92,-3.92,;11.9,-2.54,;13.16,-4.64,;14.49,-3.89,;15.78,-4.76,;17.26,-4.29,;17.82,-2.86,;17.05,-1.53,;15.52,-1.3,;14.38,-2.32,;12.95,-1.76,)| Show InChI InChI=1S/C30H41N3O4/c1-30(16-22-17-31-24-8-6-5-7-23(22)24,28(35)32-25-9-3-2-4-10-26(25)34)33-29(36)37-27-20-12-18-11-19(14-20)15-21(27)13-18/h5-8,17-21,25-27,31,34H,2-4,9-16H2,1H3,(H,32,35)(H,33,36)/t18?,19?,20?,21?,25-,26-,27?,30+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50062005
((S)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |wU:1.13,wD:29.33,1.0,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:21:16:19.18.25,20:19:16:21.23.22,(10.8,-2.25,;10.81,-3.63,;10.9,-5.18,;12.26,-5.88,;11.02,-6.79,;11.49,-8.25,;13.03,-8.24,;14.06,-9.39,;15.56,-9.07,;16.04,-7.61,;15.01,-6.46,;13.52,-6.79,;9.43,-3.12,;8.15,-3.96,;8.17,-5.43,;6.76,-3.28,;5.47,-4.12,;5.46,-5.67,;4.44,-6.95,;3.04,-6.37,;1.53,-6.79,;2.74,-5.52,;4.05,-6.01,;2.72,-4.03,;4.08,-3.55,;3.02,-4.78,;12.1,-2.95,;12.07,-1.57,;13.48,-3.63,;14.76,-2.78,;14.67,-1.25,;15.43,.09,;14.65,1.43,;16.98,.11,;16.14,-3.47,;17.43,-2.62,;17.34,-1.25,;18.6,-.23,;20,-.92,;20.1,-2.46,;18.81,-3.31,)| Show InChI InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21?,22?,23?,24?,26-,30?,33+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50366633
(CHEMBL1169566)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 |r,wU:1.13,wD:1.0,TLB:15:16:18:20.22.21,22:21:25:18.17.16,22:17:25:20.23.21,THB:23:21:18:25.24.16,23:24:18:20.22.21,15:16:25:20.23.21,(6.03,-6.13,;5.44,-7.56,;4.85,-8.98,;3.32,-9.18,;2.26,-8.06,;.87,-8.72,;1.07,-10.25,;.07,-11.42,;.58,-12.87,;2.1,-13.15,;3.1,-11.98,;2.59,-10.53,;4.02,-6.97,;3.82,-5.44,;5.04,-4.5,;2.32,-4.82,;2.43,-3.02,;1.06,-2.32,;.22,-3.79,;1.59,-3.1,;1.59,-1.7,;2.43,-.23,;1.06,-.92,;3.8,-.92,;3.8,-2.32,;2.96,-3.79,;6.86,-8.15,;8.09,-7.21,;7.06,-9.67,;8.48,-10.27,;8.68,-11.79,;10.11,-12.38,;10.31,-13.91,;11.73,-14.5,;12.95,-13.56,;12.75,-12.04,;11.33,-11.45,)| 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
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062004
(CHEMBL337310 | [(R)-2-(1H-Indol-3-yl)-1-methyl-1-(...)Show SMILES CC1CCCCC1NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:10.24,wD:10.11,TLB:35:34:32:29.28.30,THB:35:29:26.34.33:32,30:31:26:29.28.35,30:29:26:31.33.32,25:26:32:29.28.30,(4.64,-5.03,;5.74,-6.13,;7.08,-5.37,;8.43,-6.14,;8.41,-7.69,;7.08,-8.44,;5.74,-7.68,;4.41,-8.44,;3.16,-7.71,;3.15,-6.33,;1.88,-8.39,;1.86,-7.02,;1.95,-9.94,;3.33,-10.64,;2.08,-11.55,;2.56,-13.03,;4.11,-13.02,;5.13,-14.17,;6.63,-13.85,;7.1,-12.37,;6.07,-11.24,;4.57,-11.55,;.49,-7.88,;-.8,-8.73,;-.77,-10.19,;-2.19,-8.04,;-3.48,-8.9,;-3.48,-10.43,;-4.89,-10.78,;-6.22,-10.29,;-7.41,-11.57,;-5.92,-11.15,;-4.51,-11.72,;-5.92,-9.55,;-4.87,-8.32,;-6.22,-8.8,)| Show InChI InChI=1S/C30H41N3O3/c1-18-7-3-5-9-25(18)32-28(34)30(2,16-23-17-31-26-10-6-4-8-24(23)26)33-29(35)36-27-21-12-19-11-20(14-21)15-22(27)13-19/h4,6,8,10,17-22,25,27,31H,3,5,7,9,11-16H2,1-2H3,(H,32,34)(H,33,35)/t18?,19?,20?,21?,22?,25?,27?,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50006875
(CHEMBL263969 | N-{(S)-2-[(R)-2-(Adamantan-2-yloxyc...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCC(O)=O)c1ccccc1 |wU:30.35,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:19:16:21.23.22,20:21:16:19.18.25,(5.02,-9.99,;5.02,-8.45,;5.04,-6.91,;4.14,-5.65,;2.62,-5.88,;1.94,-4.5,;3.02,-3.41,;2.96,-1.87,;4.25,-1.05,;5.63,-1.76,;5.69,-3.3,;4.39,-4.13,;3.69,-9.22,;2.36,-8.45,;2.36,-6.91,;1.01,-9.22,;-.32,-8.43,;-.32,-6.89,;-1.63,-6.11,;-2.98,-6.87,;-4.94,-6.94,;-3.61,-7.71,;-2.12,-7.3,;-3.2,-9.2,;-1.66,-9.2,;-2.99,-8.41,;6.35,-9.22,;6.35,-10.76,;7.68,-8.45,;9.03,-9.22,;10.34,-8.43,;10.34,-6.89,;11.67,-6.11,;11.65,-4.57,;13,-6.87,;14.33,-6.07,;15.66,-6.84,;16.99,-6.05,;15.69,-8.38,;11.69,-9.2,;11.7,-10.74,;13.03,-11.5,;14.36,-10.72,;14.35,-9.18,;13,-8.41,)| 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?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50061998
(CHEMBL140073 | [(R)-1-Cycloheptylcarbamoyl-2-(1H-i...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCCC1 |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.22.23,(1.12,-6.8,;1.13,-8.18,;1.22,-9.73,;2.58,-10.43,;1.34,-11.35,;1.81,-12.81,;3.36,-12.8,;4.39,-13.95,;5.89,-13.63,;6.37,-12.17,;5.34,-11.02,;3.85,-11.35,;-.25,-7.67,;-1.54,-8.51,;-1.51,-9.99,;-2.93,-7.83,;-4.22,-8.68,;-5.61,-8.09,;-6.97,-8.58,;-6.96,-10.07,;-8.17,-11.35,;-6.65,-10.92,;-6.67,-9.33,;-5.25,-11.5,;-4.23,-10.22,;-5.64,-10.57,;2.42,-7.5,;2.4,-6.12,;3.66,-8.23,;5.01,-7.46,;6.29,-8.32,;7.76,-7.86,;8.32,-6.43,;7.54,-5.09,;6.02,-4.87,;4.9,-5.93,)| Show InChI InChI=1S/C30H41N3O3/c1-30(28(34)32-24-8-4-2-3-5-9-24,17-23-18-31-26-11-7-6-10-25(23)26)33-29(35)36-27-21-13-19-12-20(15-21)16-22(27)14-19/h6-7,10-11,18-22,24,27,31H,2-5,8-9,12-17H2,1H3,(H,32,34)(H,33,35)/t19?,20?,21?,22?,27?,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50366633
(CHEMBL1169566)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 |r,wU:1.13,wD:1.0,TLB:15:16:18:20.22.21,22:21:25:18.17.16,22:17:25:20.23.21,THB:23:21:18:25.24.16,23:24:18:20.22.21,15:16:25:20.23.21,(6.03,-6.13,;5.44,-7.56,;4.85,-8.98,;3.32,-9.18,;2.26,-8.06,;.87,-8.72,;1.07,-10.25,;.07,-11.42,;.58,-12.87,;2.1,-13.15,;3.1,-11.98,;2.59,-10.53,;4.02,-6.97,;3.82,-5.44,;5.04,-4.5,;2.32,-4.82,;2.43,-3.02,;1.06,-2.32,;.22,-3.79,;1.59,-3.1,;1.59,-1.7,;2.43,-.23,;1.06,-.92,;3.8,-.92,;3.8,-2.32,;2.96,-3.79,;6.86,-8.15,;8.09,-7.21,;7.06,-9.67,;8.48,-10.27,;8.68,-11.79,;10.11,-12.38,;10.31,-13.91,;11.73,-14.5,;12.95,-13.56,;12.75,-12.04,;11.33,-11.45,)| 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
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50061995
(CHEMBL138311 | [(R)-1-Cyclohexylcarbamoyl-2-(1H-in...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1 |wU:1.13,wD:1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:19:16:21.23.22,20:21:16:19.18.25,15:16:22:19.18.20,(2.24,-7.79,;2.25,-9.15,;2.34,-10.69,;3.7,-11.4,;2.46,-12.31,;2.93,-13.78,;4.47,-13.77,;5.5,-14.92,;7,-14.6,;7.48,-13.13,;6.45,-12,;4.97,-12.31,;.87,-8.64,;-.41,-9.49,;-.39,-10.95,;-1.8,-8.8,;-3.09,-9.66,;-3.1,-11.19,;-4.51,-11.54,;-5.82,-11.05,;-7.03,-12.32,;-5.52,-11.9,;-4.12,-12.47,;-5.53,-10.31,;-4.48,-9.08,;-5.84,-9.56,;3.54,-8.47,;3.52,-7.09,;4.92,-9.17,;6.2,-8.31,;6.1,-6.77,;7.37,-5.92,;8.77,-6.6,;8.87,-8.15,;7.58,-9,)| Show InChI InChI=1S/C29H39N3O3/c1-29(27(33)31-23-7-3-2-4-8-23,16-22-17-30-25-10-6-5-9-24(22)25)32-28(34)35-26-20-12-18-11-19(14-20)15-21(26)13-18/h5-6,9-10,17-21,23,26,30H,2-4,7-8,11-16H2,1H3,(H,31,33)(H,32,34)/t18?,19?,20?,21?,26?,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062014
(CHEMBL342907 | [(R)-2-(1H-Indol-3-yl)-1-((S)-2-met...)Show SMILES COC[C@@H]1CCCN1NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:11.25,3.2,wD:11.12,TLB:36:35:33:30.29.31,THB:36:30:27.35.34:33,31:32:27:30.29.36,31:30:27:32.34.33,26:27:33:30.29.31,(8.73,-11.26,;8.31,-9.76,;6.82,-9.39,;6.39,-7.89,;7.35,-6.69,;6.5,-5.4,;5.01,-5.81,;4.94,-7.37,;3.66,-8.22,;2.42,-7.49,;2.39,-6.11,;1.13,-8.17,;1.12,-6.79,;1.22,-9.72,;2.58,-10.42,;1.34,-11.33,;1.81,-12.8,;3.35,-12.78,;4.38,-13.93,;5.88,-13.62,;6.36,-12.15,;5.33,-11,;3.84,-11.33,;-.25,-7.66,;-1.54,-8.5,;-1.51,-9.97,;-2.92,-7.82,;-4.21,-8.66,;-4.23,-10.21,;-5.63,-10.55,;-6.95,-10.06,;-8.16,-11.33,;-6.64,-10.91,;-5.24,-11.49,;-6.66,-9.32,;-5.61,-8.08,;-6.96,-8.57,)| Show InChI InChI=1S/C29H40N4O4/c1-29(15-22-16-30-25-8-4-3-7-24(22)25,27(34)32-33-9-5-6-23(33)17-36-2)31-28(35)37-26-20-11-18-10-19(13-20)14-21(26)12-18/h3-4,7-8,16,18-21,23,26,30H,5-6,9-15,17H2,1-2H3,(H,31,35)(H,32,34)/t18?,19?,20?,21?,23-,26?,29+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062013
(CHEMBL436411 | [(R)-1-(Bicyclo[2.2.1]hept-2-ylcarb...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CC2CCC1C2 |wU:1.13,wD:1.0,TLB:22:17:25:21.23.20,22:21:16.17.18:25,28:29:35:33.32,THB:20:19:16:21.22.23,20:21:16:19.18.25,15:16:25:21.23.20,(1.87,-7.07,;1.89,-8.44,;1.96,-10,;3.35,-10.7,;2.1,-11.62,;2.58,-13.11,;4.13,-13.1,;5.16,-14.25,;6.68,-13.93,;7.15,-12.45,;6.11,-11.31,;4.6,-11.62,;.49,-7.92,;-.8,-8.79,;-.78,-10.26,;-2.21,-8.09,;-3.5,-8.95,;-4.9,-8.37,;-5.95,-9.61,;-5.95,-11.21,;-7.46,-11.64,;-6.26,-10.35,;-6.26,-8.86,;-4.92,-10.85,;-3.5,-10.49,;-4.54,-11.79,;3.18,-7.76,;3.17,-6.37,;4.44,-8.49,;5.78,-7.73,;6.6,-6.67,;8.03,-6.27,;9.07,-7.24,;8.16,-8.37,;7.17,-7.54,;7.99,-4.93,)| Show InChI InChI=1S/C30H39N3O3/c1-30(15-23-16-31-25-5-3-2-4-24(23)25,28(34)32-26-14-17-6-7-20(26)9-17)33-29(35)36-27-21-10-18-8-19(12-21)13-22(27)11-18/h2-5,16-22,26-27,31H,6-15H2,1H3,(H,32,34)(H,33,35)/t17?,18?,19?,20?,21?,22?,26?,27?,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 78.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062013
(CHEMBL436411 | [(R)-1-(Bicyclo[2.2.1]hept-2-ylcarb...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CC2CCC1C2 |wU:1.13,wD:1.0,TLB:22:17:25:21.23.20,22:21:16.17.18:25,28:29:35:33.32,THB:20:19:16:21.22.23,20:21:16:19.18.25,15:16:25:21.23.20,(1.87,-7.07,;1.89,-8.44,;1.96,-10,;3.35,-10.7,;2.1,-11.62,;2.58,-13.11,;4.13,-13.1,;5.16,-14.25,;6.68,-13.93,;7.15,-12.45,;6.11,-11.31,;4.6,-11.62,;.49,-7.92,;-.8,-8.79,;-.78,-10.26,;-2.21,-8.09,;-3.5,-8.95,;-4.9,-8.37,;-5.95,-9.61,;-5.95,-11.21,;-7.46,-11.64,;-6.26,-10.35,;-6.26,-8.86,;-4.92,-10.85,;-3.5,-10.49,;-4.54,-11.79,;3.18,-7.76,;3.17,-6.37,;4.44,-8.49,;5.78,-7.73,;6.6,-6.67,;8.03,-6.27,;9.07,-7.24,;8.16,-8.37,;7.17,-7.54,;7.99,-4.93,)| Show InChI InChI=1S/C30H39N3O3/c1-30(15-23-16-31-25-5-3-2-4-24(23)25,28(34)32-26-14-17-6-7-20(26)9-17)33-29(35)36-27-21-10-18-8-19(12-21)13-22(27)11-18/h2-5,16-22,26-27,31H,6-15H2,1H3,(H,32,34)(H,33,35)/t17?,18?,19?,20?,21?,22?,26?,27?,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062018
(1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-in...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1(CCCCC1)C(O)=O |wU:1.13,wD:1.0,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:20:19:16:21.22.23,20:21:16:19.18.25,15:16:25:21.23.20,(1.86,-7.03,;1.88,-8.4,;1.95,-9.95,;3.34,-10.65,;2.09,-11.56,;2.56,-13.04,;4.11,-13.03,;5.13,-14.18,;6.64,-13.86,;7.11,-12.38,;6.08,-11.25,;4.58,-11.56,;.49,-7.88,;-.8,-8.74,;-.77,-10.2,;-2.2,-8.05,;-3.48,-8.91,;-4.88,-8.33,;-5.92,-9.56,;-5.92,-11.16,;-7.42,-11.58,;-6.23,-10.3,;-6.23,-8.81,;-4.89,-10.79,;-3.48,-10.44,;-4.52,-11.73,;3.16,-7.72,;3.15,-6.34,;4.41,-8.45,;5.75,-7.69,;7.09,-8.45,;8.42,-7.7,;8.44,-6.15,;7.09,-5.38,;5.75,-6.14,;6.15,-9.17,;7.65,-9.57,;5.05,-10.27,)| Show InChI InChI=1S/C30H39N3O5/c1-29(16-22-17-31-24-8-4-3-7-23(22)24,26(34)32-30(27(35)36)9-5-2-6-10-30)33-28(37)38-25-20-12-18-11-19(14-20)15-21(25)13-18/h3-4,7-8,17-21,25,31H,2,5-6,9-16H2,1H3,(H,32,34)(H,33,37)(H,35,36)/t18?,19?,20?,21?,25?,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062016
(CHEMBL139101 | [(R)-1-(1-Hydroxymethyl-cyclohexylc...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1(CO)CCCCC1 |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.22.23,(1.86,-7.03,;1.88,-8.4,;1.95,-9.95,;3.34,-10.65,;2.09,-11.56,;2.56,-13.04,;4.11,-13.03,;5.13,-14.18,;6.64,-13.86,;7.11,-12.38,;6.08,-11.25,;4.58,-11.56,;.49,-7.88,;-.8,-8.74,;-.77,-10.2,;-2.2,-8.05,;-3.48,-8.91,;-4.88,-8.33,;-6.23,-8.81,;-6.23,-10.3,;-7.42,-11.58,;-5.92,-11.16,;-5.92,-9.56,;-4.52,-11.73,;-3.48,-10.44,;-4.89,-10.79,;3.16,-7.72,;3.15,-6.34,;4.41,-8.45,;5.75,-7.69,;6.15,-9.17,;7.65,-9.57,;5.75,-6.14,;7.09,-5.38,;8.44,-6.15,;8.42,-7.7,;7.09,-8.45,)| Show InChI InChI=1S/C30H41N3O4/c1-29(16-23-17-31-25-8-4-3-7-24(23)25,27(35)32-30(18-34)9-5-2-6-10-30)33-28(36)37-26-21-12-19-11-20(14-21)15-22(26)13-19/h3-4,7-8,17,19-22,26,31,34H,2,5-6,9-16,18H2,1H3,(H,32,35)(H,33,36)/t19?,20?,21?,22?,26?,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 121 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062009
(CHEMBL142063 | [(R)-2-(1H-Indol-3-yl)-1-methyl-1-(...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CCCC1 |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.22.23,(2.25,-7.79,;2.25,-9.15,;2.34,-10.7,;3.7,-11.4,;2.46,-12.31,;2.93,-13.79,;4.48,-13.78,;5.51,-14.93,;7,-14.61,;7.49,-13.13,;6.46,-12,;4.97,-12.31,;.87,-8.64,;-.41,-9.5,;-.39,-10.96,;-1.8,-8.8,;-3.09,-9.66,;-4.48,-9.08,;-5.84,-9.57,;-5.83,-11.05,;-7.03,-12.33,;-5.52,-11.91,;-5.54,-10.32,;-4.12,-12.48,;-3.1,-11.19,;-4.51,-11.54,;3.54,-8.48,;3.52,-7.1,;4.78,-9.22,;6.07,-8.36,;6.14,-6.81,;7.63,-6.39,;8.48,-7.68,;7.52,-8.89,)| Show InChI InChI=1S/C27H36N4O3/c1-27(25(32)30-31-8-4-5-9-31,15-21-16-28-23-7-3-2-6-22(21)23)29-26(33)34-24-19-11-17-10-18(13-19)14-20(24)12-17/h2-3,6-7,16-20,24,28H,4-5,8-15H2,1H3,(H,29,33)(H,30,32)/t17?,18?,19?,20?,24?,27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 132 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50061990
((R)-3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1 |wU:1.13,29.33,wD:1.0,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:21:16:19.18.25,20:19:16:21.23.22,(10.8,-2.25,;10.81,-3.63,;10.9,-5.18,;12.26,-5.88,;11.02,-6.79,;11.49,-8.25,;13.03,-8.24,;14.06,-9.39,;15.56,-9.07,;16.04,-7.61,;15.01,-6.46,;13.52,-6.79,;9.43,-3.12,;8.15,-3.96,;8.17,-5.43,;6.76,-3.28,;5.47,-4.12,;5.46,-5.67,;4.44,-6.95,;3.04,-6.37,;1.53,-6.79,;2.74,-5.52,;4.05,-6.01,;2.72,-4.03,;4.08,-3.55,;3.02,-4.78,;12.1,-2.95,;12.07,-1.57,;13.48,-3.63,;14.76,-2.78,;14.67,-1.25,;15.43,.09,;14.65,1.43,;16.98,.11,;16.14,-3.47,;17.43,-2.62,;17.34,-1.25,;18.6,-.23,;20,-.92,;20.1,-2.46,;18.81,-3.31,)| Show InChI InChI=1S/C33H39N3O5/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,31(39)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-32(40)41-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,19,21-24,26,30,34H,11-18H2,1H3,(H,35,39)(H,36,40)(H,37,38)/t21?,22?,23?,24?,26-,30?,33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 186 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50061992
(1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-in...)Show SMILES COC(=O)C1(CCCCC1)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:13.27,wD:13.14,TLB:35:30:38:34.36.33,35:34:29.30.31:38,THB:33:32:29:34.35.36,33:34:29:32.31.38,28:29:38:34.36.33,(7.67,-10.77,;7.65,-9.57,;6.15,-9.17,;5.05,-10.27,;5.75,-7.69,;5.75,-6.14,;7.09,-5.38,;8.44,-6.15,;8.42,-7.7,;7.09,-8.45,;4.41,-8.45,;3.16,-7.72,;3.15,-6.34,;1.88,-8.4,;1.86,-7.03,;1.95,-9.95,;3.34,-10.65,;2.09,-11.56,;2.56,-13.04,;4.11,-13.03,;5.13,-14.18,;6.64,-13.86,;7.11,-12.38,;6.08,-11.25,;4.58,-11.56,;.49,-7.88,;-.8,-8.74,;-.77,-10.2,;-2.2,-8.05,;-3.48,-8.91,;-4.88,-8.33,;-5.92,-9.56,;-5.92,-11.16,;-7.42,-11.58,;-6.23,-10.3,;-6.23,-8.81,;-4.89,-10.79,;-3.48,-10.44,;-4.52,-11.73,)| Show InChI InChI=1S/C31H41N3O5/c1-30(17-23-18-32-25-9-5-4-8-24(23)25,27(35)33-31(28(36)38-2)10-6-3-7-11-31)34-29(37)39-26-21-13-19-12-20(15-21)16-22(26)14-19/h4-5,8-9,18-22,26,32H,3,6-7,10-17H2,1-2H3,(H,33,35)(H,34,37)/t19?,20?,21?,22?,26?,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 191 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062002
(3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-in...)Show SMILES COC(=O)CC(CC(=O)OC)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:14.27,wD:14.14,TLB:36:31:39:35.37.34,36:35:30.31.32:39,THB:29:30:39:35.37.34,34:33:30:35.36.37,34:35:30:33.32.39,(6.29,-4.73,;5.01,-5.59,;5.1,-7.13,;6.48,-7.81,;3.82,-7.97,;3.91,-9.52,;5.29,-10.21,;6.78,-9.8,;7.17,-8.3,;7.87,-10.89,;7.48,-12.37,;2.62,-10.37,;1.25,-9.68,;1.24,-8.3,;-.02,-10.36,;-.04,-8.99,;.05,-11.9,;1.43,-12.6,;.17,-13.51,;.65,-14.98,;2.2,-14.98,;3.21,-16.12,;4.72,-15.8,;5.19,-14.33,;4.17,-13.2,;2.67,-13.51,;-1.42,-9.84,;-2.7,-10.7,;-2.68,-12.16,;-4.08,-10.01,;-5.37,-10.86,;-6.77,-10.29,;-7.8,-11.52,;-7.8,-13.11,;-9.3,-13.53,;-8.1,-12.25,;-8.12,-10.77,;-6.78,-12.74,;-5.37,-12.39,;-6.39,-13.67,)| Show InChI InChI=1S/C30H39N3O7/c1-30(15-21-16-31-24-7-5-4-6-23(21)24,28(36)32-22(13-25(34)38-2)14-26(35)39-3)33-29(37)40-27-19-9-17-8-18(11-19)12-20(27)10-17/h4-7,16-20,22,27,31H,8-15H2,1-3H3,(H,32,36)(H,33,37)/t17?,18?,19?,20?,27?,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 214 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062010
(CHEMBL138190 | [(R)-1-(1-Hydroxymethyl-cyclopentyl...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1(CO)CCCC1 |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.22.23,(1.86,-7.02,;1.88,-8.39,;1.95,-9.93,;3.33,-10.63,;2.08,-11.55,;2.56,-13.02,;4.1,-13.01,;5.13,-14.16,;6.63,-13.84,;7.1,-12.36,;6.07,-11.23,;4.57,-11.55,;.49,-7.87,;-.8,-8.73,;-.77,-10.19,;-2.19,-8.04,;-3.48,-8.89,;-4.87,-8.32,;-6.22,-8.8,;-6.22,-10.28,;-7.41,-11.56,;-5.91,-11.14,;-5.91,-9.55,;-4.51,-11.71,;-3.48,-10.42,;-4.88,-10.77,;3.16,-7.71,;3.14,-6.33,;4.41,-8.43,;5.74,-7.68,;6.14,-9.16,;7.64,-9.56,;5.91,-6.14,;7.42,-5.81,;8.19,-7.15,;7.16,-8.29,)| Show InChI InChI=1S/C29H39N3O4/c1-28(26(34)31-29(17-33)8-4-5-9-29,15-22-16-30-24-7-3-2-6-23(22)24)32-27(35)36-25-20-11-18-10-19(13-20)14-21(25)12-18/h2-3,6-7,16,18-21,25,30,33H,4-5,8-15,17H2,1H3,(H,31,34)(H,32,35)/t18?,19?,20?,21?,25?,28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 268 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50061991
(CHEMBL140701 | [(R)-3-Cyclohexylamino-1-(1H-indol-...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)CNC1CCCCC1 |wU:1.13,wD:1.0,TLB:15:16:18:21.22.20,THB:23:24:18:21.22.20,23:21:18:16.24.25,20:21:16:19.18.25,20:19:16:21.22.23,(2.27,-7.88,;2.28,-9.27,;2.37,-10.83,;3.75,-11.54,;2.49,-12.46,;2.97,-13.95,;4.53,-13.94,;5.57,-15.11,;7.09,-14.78,;7.58,-13.29,;6.53,-12.15,;5.03,-12.46,;.88,-8.74,;-.42,-9.61,;-.39,-11.09,;-1.82,-8.91,;-3.13,-9.78,;-4.54,-9.19,;-5.91,-9.68,;-5.9,-11.18,;-7.12,-12.48,;-5.59,-12.05,;-5.6,-10.44,;-4.17,-12.63,;-3.14,-11.32,;-4.56,-11.68,;3.58,-8.58,;3.56,-7.18,;4.84,-9.33,;6.12,-8.6,;6.14,-7.13,;4.86,-6.4,;4.89,-4.93,;6.18,-4.21,;7.43,-4.97,;7.42,-6.42,)| Show InChI InChI=1S/C30H41N3O3/c1-30(27(34)18-31-24-7-3-2-4-8-24,16-23-17-32-26-10-6-5-9-25(23)26)33-29(35)36-28-21-12-19-11-20(14-21)15-22(28)13-19/h5-6,9-10,17,19-22,24,28,31-32H,2-4,7-8,11-16,18H2,1H3,(H,33,35)/t19?,20?,21?,22?,28?,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 314 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50062017
(CHEMBL443284 | [(R)-2-(1H-Indol-3-yl)-1-methyl-1-p...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)Nc1ccccc1 |wU:1.13,wD:1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:19:16:21.23.22,20:21:16:19.18.25,15:16:22:19.18.20,(2.24,-7.79,;2.25,-9.15,;2.34,-10.69,;3.7,-11.4,;2.46,-12.31,;2.93,-13.78,;4.47,-13.77,;5.5,-14.92,;7,-14.6,;7.48,-13.13,;6.45,-12,;4.97,-12.31,;.87,-8.64,;-.41,-9.49,;-.39,-10.95,;-1.8,-8.8,;-3.09,-9.66,;-3.1,-11.19,;-4.51,-11.54,;-5.82,-11.05,;-7.03,-12.32,;-5.52,-11.9,;-4.12,-12.47,;-5.53,-10.31,;-4.48,-9.08,;-5.84,-9.56,;3.54,-8.47,;3.52,-7.09,;4.92,-9.17,;6.2,-8.31,;6.1,-6.77,;7.37,-5.92,;8.77,-6.6,;8.87,-8.15,;7.58,-9,)| Show InChI InChI=1S/C29H33N3O3/c1-29(27(33)31-23-7-3-2-4-8-23,16-22-17-30-25-10-6-5-9-24(22)25)32-28(34)35-26-20-12-18-11-19(14-20)15-21(26)13-18/h2-10,17-21,26,30H,11-16H2,1H3,(H,31,33)(H,32,34)/t18?,19?,20?,21?,26?,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 327 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50366633
(CHEMBL1169566)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 |r,wU:1.13,wD:1.0,TLB:15:16:18:20.22.21,22:21:25:18.17.16,22:17:25:20.23.21,THB:23:21:18:25.24.16,23:24:18:20.22.21,15:16:25:20.23.21,(6.03,-6.13,;5.44,-7.56,;4.85,-8.98,;3.32,-9.18,;2.26,-8.06,;.87,-8.72,;1.07,-10.25,;.07,-11.42,;.58,-12.87,;2.1,-13.15,;3.1,-11.98,;2.59,-10.53,;4.02,-6.97,;3.82,-5.44,;5.04,-4.5,;2.32,-4.82,;2.43,-3.02,;1.06,-2.32,;.22,-3.79,;1.59,-3.1,;1.59,-1.7,;2.43,-.23,;1.06,-.92,;3.8,-.92,;3.8,-2.32,;2.96,-3.79,;6.86,-8.15,;8.09,-7.21,;7.06,-9.67,;8.48,-10.27,;8.68,-11.79,;10.11,-12.38,;10.31,-13.91,;11.73,-14.5,;12.95,-13.56,;12.75,-12.04,;11.33,-11.45,)| 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
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50366633
(CHEMBL1169566)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1 |r,wU:1.13,wD:1.0,TLB:15:16:18:20.22.21,22:21:25:18.17.16,22:17:25:20.23.21,THB:23:21:18:25.24.16,23:24:18:20.22.21,15:16:25:20.23.21,(6.03,-6.13,;5.44,-7.56,;4.85,-8.98,;3.32,-9.18,;2.26,-8.06,;.87,-8.72,;1.07,-10.25,;.07,-11.42,;.58,-12.87,;2.1,-13.15,;3.1,-11.98,;2.59,-10.53,;4.02,-6.97,;3.82,-5.44,;5.04,-4.5,;2.32,-4.82,;2.43,-3.02,;1.06,-2.32,;.22,-3.79,;1.59,-3.1,;1.59,-1.7,;2.43,-.23,;1.06,-.92,;3.8,-.92,;3.8,-2.32,;2.96,-3.79,;6.86,-8.15,;8.09,-7.21,;7.06,-9.67,;8.48,-10.27,;8.68,-11.79,;10.11,-12.38,;10.31,-13.91,;11.73,-14.5,;12.95,-13.56,;12.75,-12.04,;11.33,-11.45,)| 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
| Article
PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50062000
(2-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-in...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1C(O)=O |wU:1.13,wD:1.0,TLB:15:16:23:19.25.20,18:19:23:16.17.22,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.23.22,(1.86,-7.02,;1.88,-8.39,;1.95,-9.94,;3.33,-10.64,;2.08,-11.55,;2.56,-13.03,;4.11,-13.02,;5.13,-14.17,;6.63,-13.85,;7.1,-12.37,;6.07,-11.24,;4.57,-11.55,;.49,-7.88,;-.8,-8.73,;-.77,-10.19,;-2.19,-8.04,;-3.48,-8.9,;-3.48,-10.43,;-4.51,-11.72,;-5.92,-11.15,;-7.41,-11.57,;-6.22,-10.29,;-4.89,-10.78,;-6.22,-8.8,;-4.87,-8.32,;-5.92,-9.55,;3.16,-7.71,;3.15,-6.33,;4.41,-8.44,;5.74,-7.68,;7.08,-8.44,;8.41,-7.69,;8.43,-6.14,;7.08,-5.37,;5.74,-6.13,;4.64,-5.03,;5.04,-3.54,;3.15,-5.42,)| Show InChI InChI=1S/C30H39N3O5/c1-30(15-21-16-31-24-8-4-2-6-22(21)24,28(36)32-25-9-5-3-7-23(25)27(34)35)33-29(37)38-26-19-11-17-10-18(13-19)14-20(26)12-17/h2,4,6,8,16-20,23,25-26,31H,3,5,7,9-15H2,1H3,(H,32,36)(H,33,37)(H,34,35)/t17?,18?,19?,20?,23?,25?,26?,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 701 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50061988
(CHEMBL138657 | [(R)-1-((S)-1-Hydroxymethyl-2-pheny...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CO)Cc1ccccc1 |wU:1.13,wD:29.33,1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:19:16:21.23.22,20:21:16:19.18.25,15:16:22:19.18.20,(-.04,-8.98,;-.02,-10.34,;.05,-11.88,;1.42,-12.58,;.17,-13.49,;.65,-14.96,;2.19,-14.95,;3.2,-16.09,;4.71,-15.77,;5.18,-14.3,;4.16,-13.18,;2.67,-13.49,;-1.41,-9.83,;-2.7,-10.68,;-2.67,-12.13,;-4.07,-9.99,;-5.36,-10.84,;-5.36,-12.37,;-6.76,-12.72,;-8.08,-12.23,;-9.28,-13.5,;-7.78,-13.08,;-6.38,-13.65,;-7.79,-11.5,;-6.75,-10.27,;-8.11,-10.75,;1.24,-9.66,;1.24,-8.29,;2.62,-10.35,;3.9,-9.5,;3.81,-7.96,;4.58,-6.63,;5.28,-10.19,;6.56,-9.34,;6.48,-7.96,;7.74,-6.96,;9.13,-7.63,;9.22,-9.17,;7.94,-10.03,)| 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
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50062002
(3-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-in...)Show SMILES COC(=O)CC(CC(=O)OC)NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3 |wU:14.27,wD:14.14,TLB:36:31:39:35.37.34,36:35:30.31.32:39,THB:29:30:39:35.37.34,34:33:30:35.36.37,34:35:30:33.32.39,(6.29,-4.73,;5.01,-5.59,;5.1,-7.13,;6.48,-7.81,;3.82,-7.97,;3.91,-9.52,;5.29,-10.21,;6.78,-9.8,;7.17,-8.3,;7.87,-10.89,;7.48,-12.37,;2.62,-10.37,;1.25,-9.68,;1.24,-8.3,;-.02,-10.36,;-.04,-8.99,;.05,-11.9,;1.43,-12.6,;.17,-13.51,;.65,-14.98,;2.2,-14.98,;3.21,-16.12,;4.72,-15.8,;5.19,-14.33,;4.17,-13.2,;2.67,-13.51,;-1.42,-9.84,;-2.7,-10.7,;-2.68,-12.16,;-4.08,-10.01,;-5.37,-10.86,;-6.77,-10.29,;-7.8,-11.52,;-7.8,-13.11,;-9.3,-13.53,;-8.1,-12.25,;-8.12,-10.77,;-6.78,-12.74,;-5.37,-12.39,;-6.39,-13.67,)| Show InChI InChI=1S/C30H39N3O7/c1-30(15-21-16-31-24-7-5-4-6-23(21)24,28(36)32-22(13-25(34)38-2)14-26(35)39-3)33-29(37)40-27-19-9-17-8-18(11-19)12-20(27)10-17/h4-7,16-20,22,27,31H,8-15H2,1-3H3,(H,32,36)(H,33,37)/t17?,18?,19?,20?,27?,30-/m1/s1 | PDB
Reactome pathway
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50062006
(CHEMBL344882 | [(R)-1-((1R,2R)-2-Hydroxy-cyclohept...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@@H]1CCCCC[C@H]1O |wU:1.13,29.33,wD:35.41,1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(9.7,-1.95,;9.72,-3.31,;9.79,-4.86,;11.17,-5.56,;9.92,-6.47,;10.4,-7.95,;11.95,-7.95,;12.96,-9.1,;14.48,-8.77,;14.95,-7.29,;13.92,-6.17,;12.42,-6.47,;8.32,-2.8,;7.04,-3.66,;7.06,-5.11,;5.65,-2.96,;4.34,-3.83,;4.34,-5.35,;2.95,-5.7,;1.62,-5.21,;.42,-6.5,;1.92,-6.08,;3.33,-6.64,;1.92,-4.48,;2.96,-3.24,;1.62,-3.73,;10.99,-2.63,;10.99,-1.25,;12.25,-3.36,;13.59,-2.61,;14.86,-3.47,;16.34,-3.01,;16.9,-1.58,;16.14,-.24,;14.6,-.01,;13.47,-1.04,;12.04,-.48,)| Show InChI InChI=1S/C30H41N3O4/c1-30(16-22-17-31-24-8-6-5-7-23(22)24,28(35)32-25-9-3-2-4-10-26(25)34)33-29(36)37-27-20-12-18-11-19(14-20)15-21(27)13-18/h5-8,17-21,25-27,31,34H,2-4,9-16H2,1H3,(H,32,35)(H,33,36)/t18?,19?,20?,21?,25-,26-,27?,30-/m1/s1 | PDB
Reactome pathway
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| Article
PubMed
| n/a | n/a | 1.24E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50062001
(CHEMBL344380 | [(R)-1-(2-Hydroxy-cyclohexylcarbamo...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1O |wU:1.13,wD:1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(10.96,-3.48,;10.98,-4.85,;11.05,-6.4,;12.43,-7.1,;11.18,-8.02,;11.66,-9.49,;13.21,-9.48,;14.23,-10.63,;15.74,-10.31,;16.21,-8.84,;15.17,-7.7,;13.67,-8.02,;9.59,-4.34,;8.3,-5.19,;8.32,-6.66,;6.9,-4.5,;5.61,-5.35,;5.61,-6.89,;4.2,-7.24,;2.87,-6.75,;1.67,-8.02,;3.17,-7.6,;4.58,-8.18,;3.17,-6.01,;4.22,-4.78,;2.87,-5.26,;12.26,-4.17,;12.24,-2.79,;13.51,-4.9,;14.85,-4.13,;16.18,-4.9,;17.52,-4.15,;17.53,-2.6,;16.18,-1.83,;14.85,-2.59,;13.74,-1.48,)| Show InChI InChI=1S/C29H39N3O4/c1-29(27(34)31-24-8-4-5-9-25(24)33,15-21-16-30-23-7-3-2-6-22(21)23)32-28(35)36-26-19-11-17-10-18(13-19)14-20(26)12-17/h2-3,6-7,16-20,24-26,30,33H,4-5,8-15H2,1H3,(H,31,34)(H,32,35)/t17?,18?,19?,20?,24?,25?,26?,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50062010
(CHEMBL138190 | [(R)-1-(1-Hydroxymethyl-cyclopentyl...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1(CO)CCCC1 |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.22.23,(1.86,-7.02,;1.88,-8.39,;1.95,-9.93,;3.33,-10.63,;2.08,-11.55,;2.56,-13.02,;4.1,-13.01,;5.13,-14.16,;6.63,-13.84,;7.1,-12.36,;6.07,-11.23,;4.57,-11.55,;.49,-7.87,;-.8,-8.73,;-.77,-10.19,;-2.19,-8.04,;-3.48,-8.89,;-4.87,-8.32,;-6.22,-8.8,;-6.22,-10.28,;-7.41,-11.56,;-5.91,-11.14,;-5.91,-9.55,;-4.51,-11.71,;-3.48,-10.42,;-4.88,-10.77,;3.16,-7.71,;3.14,-6.33,;4.41,-8.43,;5.74,-7.68,;6.14,-9.16,;7.64,-9.56,;5.91,-6.14,;7.42,-5.81,;8.19,-7.15,;7.16,-8.29,)| Show InChI InChI=1S/C29H39N3O4/c1-28(26(34)31-29(17-33)8-4-5-9-29,15-22-16-30-24-7-3-2-6-23(22)24)32-27(35)36-25-20-11-18-10-19(13-20)14-21(25)12-18/h2-3,6-7,16,18-21,25,30,33H,4-5,8-15,17H2,1H3,(H,31,34)(H,32,35)/t18?,19?,20?,21?,25?,28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50062013
(CHEMBL436411 | [(R)-1-(Bicyclo[2.2.1]hept-2-ylcarb...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CC2CCC1C2 |wU:1.13,wD:1.0,TLB:22:17:25:21.23.20,22:21:16.17.18:25,28:29:35:33.32,THB:20:19:16:21.22.23,20:21:16:19.18.25,15:16:25:21.23.20,(1.87,-7.07,;1.89,-8.44,;1.96,-10,;3.35,-10.7,;2.1,-11.62,;2.58,-13.11,;4.13,-13.1,;5.16,-14.25,;6.68,-13.93,;7.15,-12.45,;6.11,-11.31,;4.6,-11.62,;.49,-7.92,;-.8,-8.79,;-.78,-10.26,;-2.21,-8.09,;-3.5,-8.95,;-4.9,-8.37,;-5.95,-9.61,;-5.95,-11.21,;-7.46,-11.64,;-6.26,-10.35,;-6.26,-8.86,;-4.92,-10.85,;-3.5,-10.49,;-4.54,-11.79,;3.18,-7.76,;3.17,-6.37,;4.44,-8.49,;5.78,-7.73,;6.6,-6.67,;8.03,-6.27,;9.07,-7.24,;8.16,-8.37,;7.17,-7.54,;7.99,-4.93,)| Show InChI InChI=1S/C30H39N3O3/c1-30(15-23-16-31-25-5-3-2-4-24(23)25,28(34)32-26-14-17-6-7-20(26)9-17)33-29(35)36-27-21-10-18-8-19(12-21)13-22(27)11-18/h2-5,16-22,26-27,31H,6-15H2,1H3,(H,32,34)(H,33,35)/t17?,18?,19?,20?,21?,22?,26?,27?,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50062013
(CHEMBL436411 | [(R)-1-(Bicyclo[2.2.1]hept-2-ylcarb...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CC2CCC1C2 |wU:1.13,wD:1.0,TLB:22:17:25:21.23.20,22:21:16.17.18:25,28:29:35:33.32,THB:20:19:16:21.22.23,20:21:16:19.18.25,15:16:25:21.23.20,(1.87,-7.07,;1.89,-8.44,;1.96,-10,;3.35,-10.7,;2.1,-11.62,;2.58,-13.11,;4.13,-13.1,;5.16,-14.25,;6.68,-13.93,;7.15,-12.45,;6.11,-11.31,;4.6,-11.62,;.49,-7.92,;-.8,-8.79,;-.78,-10.26,;-2.21,-8.09,;-3.5,-8.95,;-4.9,-8.37,;-5.95,-9.61,;-5.95,-11.21,;-7.46,-11.64,;-6.26,-10.35,;-6.26,-8.86,;-4.92,-10.85,;-3.5,-10.49,;-4.54,-11.79,;3.18,-7.76,;3.17,-6.37,;4.44,-8.49,;5.78,-7.73,;6.6,-6.67,;8.03,-6.27,;9.07,-7.24,;8.16,-8.37,;7.17,-7.54,;7.99,-4.93,)| Show InChI InChI=1S/C30H39N3O3/c1-30(15-23-16-31-25-5-3-2-4-24(23)25,28(34)32-26-14-17-6-7-20(26)9-17)33-29(35)36-27-21-10-18-8-19(12-21)13-22(27)11-18/h2-5,16-22,26-27,31H,6-15H2,1H3,(H,32,34)(H,33,35)/t17?,18?,19?,20?,21?,22?,26?,27?,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50061994
(CHEMBL138112 | [(R)-1-(2-Cyano-cyclohexylcarbamoyl...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1CCCCC1C#N |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:19:16:21.22.23,20:21:16:19.18.25,(1.86,-7.02,;1.88,-8.39,;1.95,-9.94,;3.33,-10.64,;2.08,-11.55,;2.56,-13.03,;4.11,-13.02,;5.13,-14.17,;6.63,-13.85,;7.1,-12.37,;6.07,-11.24,;4.57,-11.55,;.49,-7.88,;-.8,-8.73,;-.77,-10.19,;-2.19,-8.04,;-3.48,-8.9,;-4.87,-8.32,;-6.22,-8.8,;-6.22,-10.29,;-7.41,-11.57,;-5.92,-11.15,;-5.92,-9.55,;-4.51,-11.72,;-3.48,-10.43,;-4.89,-10.78,;3.16,-7.71,;3.15,-6.33,;4.41,-8.44,;5.74,-7.68,;7.08,-8.44,;8.41,-7.69,;8.43,-6.14,;7.08,-5.37,;5.74,-6.13,;4.64,-5.03,;3.54,-3.93,)| Show InChI InChI=1S/C30H38N4O3/c1-30(15-23-17-32-26-9-5-3-7-24(23)26,28(35)33-25-8-4-2-6-20(25)16-31)34-29(36)37-27-21-11-18-10-19(13-21)14-22(27)12-18/h3,5,7,9,17-22,25,27,32H,2,4,6,8,10-15H2,1H3,(H,33,35)(H,34,36)/t18?,19?,20?,21?,22?,25?,27?,30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50062016
(CHEMBL139101 | [(R)-1-(1-Hydroxymethyl-cyclohexylc...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1(CO)CCCCC1 |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.22.23,(1.86,-7.03,;1.88,-8.4,;1.95,-9.95,;3.34,-10.65,;2.09,-11.56,;2.56,-13.04,;4.11,-13.03,;5.13,-14.18,;6.64,-13.86,;7.11,-12.38,;6.08,-11.25,;4.58,-11.56,;.49,-7.88,;-.8,-8.74,;-.77,-10.2,;-2.2,-8.05,;-3.48,-8.91,;-4.88,-8.33,;-6.23,-8.81,;-6.23,-10.3,;-7.42,-11.58,;-5.92,-11.16,;-5.92,-9.56,;-4.52,-11.73,;-3.48,-10.44,;-4.89,-10.79,;3.16,-7.72,;3.15,-6.34,;4.41,-8.45,;5.75,-7.69,;6.15,-9.17,;7.65,-9.57,;5.75,-6.14,;7.09,-5.38,;8.44,-6.15,;8.42,-7.7,;7.09,-8.45,)| Show InChI InChI=1S/C30H41N3O4/c1-29(16-23-17-31-25-8-4-3-7-24(23)25,27(35)32-30(18-34)9-5-2-6-10-30)33-28(36)37-26-21-12-19-11-20(14-21)15-22(26)13-19/h3-4,7-8,17,19-22,26,31,34H,2,5-6,9-16,18H2,1H3,(H,32,35)(H,33,36)/t19?,20?,21?,22?,26?,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50062018
(1-[(R)-2-(Adamantan-2-yloxycarbonylamino)-3-(1H-in...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC1(CCCCC1)C(O)=O |wU:1.13,wD:1.0,TLB:22:17:25:21.23.20,22:21:16.17.18:25,THB:20:19:16:21.22.23,20:21:16:19.18.25,15:16:25:21.23.20,(1.86,-7.03,;1.88,-8.4,;1.95,-9.95,;3.34,-10.65,;2.09,-11.56,;2.56,-13.04,;4.11,-13.03,;5.13,-14.18,;6.64,-13.86,;7.11,-12.38,;6.08,-11.25,;4.58,-11.56,;.49,-7.88,;-.8,-8.74,;-.77,-10.2,;-2.2,-8.05,;-3.48,-8.91,;-4.88,-8.33,;-5.92,-9.56,;-5.92,-11.16,;-7.42,-11.58,;-6.23,-10.3,;-6.23,-8.81,;-4.89,-10.79,;-3.48,-10.44,;-4.52,-11.73,;3.16,-7.72,;3.15,-6.34,;4.41,-8.45,;5.75,-7.69,;7.09,-8.45,;8.42,-7.7,;8.44,-6.15,;7.09,-5.38,;5.75,-6.14,;6.15,-9.17,;7.65,-9.57,;5.05,-10.27,)| Show InChI InChI=1S/C30H39N3O5/c1-29(16-22-17-31-24-8-4-3-7-23(22)24,26(34)32-30(27(35)36)9-5-2-6-10-30)33-28(37)38-25-20-12-18-11-19(14-20)15-21(25)13-18/h3-4,7-8,17-21,25,31H,2,5-6,9-16H2,1H3,(H,32,34)(H,33,37)(H,35,36)/t18?,19?,20?,21?,25?,29-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50061993
(CHEMBL337529 | [(R)-1-(3-Aza-bicyclo[3.2.2]non-3-y...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NN1CC2CCC(CC2)C1 |wU:1.13,wD:1.0,TLB:18:19:16.17.22:23,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:21:16:19.18.25,20:19:16:21.22.23,(1.12,-6.79,;1.13,-8.18,;1.22,-9.72,;2.58,-10.42,;1.34,-11.33,;1.81,-12.8,;3.35,-12.79,;4.38,-13.93,;5.88,-13.62,;6.37,-12.15,;5.34,-11.01,;3.85,-11.33,;-.25,-7.66,;-1.54,-8.5,;-1.51,-9.98,;-2.93,-7.82,;-4.21,-8.67,;-5.61,-8.08,;-6.97,-8.57,;-6.95,-10.06,;-8.16,-11.33,;-6.65,-10.91,;-6.66,-9.32,;-5.24,-11.49,;-4.23,-10.21,;-5.63,-10.55,;2.42,-7.5,;2.39,-6.12,;3.66,-8.22,;4.95,-7.37,;6.28,-8.17,;7.73,-7.61,;8.2,-6.14,;7.33,-4.85,;5.79,-4.73,;5.79,-6.27,;6.55,-7.61,;4.74,-5.85,)| Show InChI InChI=1S/C31H42N4O3/c1-31(15-25-16-32-27-5-3-2-4-26(25)27,29(36)34-35-17-19-6-7-20(18-35)9-8-19)33-30(37)38-28-23-11-21-10-22(13-23)14-24(28)12-21/h2-5,16,19-24,28,32H,6-15,17-18H2,1H3,(H,33,37)(H,34,36)/t19?,20?,21?,22?,23?,24?,28?,31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50062015
(CHEMBL139601 | [(R)-1-((1S,2S)-2-Hydroxy-cyclohept...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H]1CCCCC[C@@H]1O |wU:1.13,35.41,wD:29.33,1.0,TLB:25:24:22:19.18.20,THB:25:19:16.24.23:22,20:21:16:19.18.25,20:19:16:21.23.22,15:16:22:19.18.20,(10.61,-3.24,;10.63,-4.59,;10.7,-6.14,;12.08,-6.84,;10.84,-7.75,;11.31,-9.23,;12.86,-9.23,;13.89,-10.38,;15.38,-10.05,;15.85,-8.57,;14.82,-7.45,;13.32,-7.75,;9.25,-4.08,;7.97,-4.95,;7.99,-6.4,;6.56,-4.24,;5.27,-5.11,;5.27,-6.63,;3.87,-6.98,;2.54,-6.49,;1.34,-7.78,;2.84,-7.36,;4.24,-7.92,;2.84,-5.77,;3.89,-4.52,;2.54,-5.02,;11.92,-3.92,;11.9,-2.54,;13.16,-4.64,;14.49,-3.89,;15.78,-4.76,;17.26,-4.29,;17.82,-2.86,;17.05,-1.53,;15.52,-1.3,;14.38,-2.32,;12.95,-1.76,)| Show InChI InChI=1S/C30H41N3O4/c1-30(16-22-17-31-24-8-6-5-7-23(22)24,28(35)32-25-9-3-2-4-10-26(25)34)33-29(36)37-27-20-12-18-11-19(14-20)15-21(27)13-18/h5-8,17-21,25-27,31,34H,2-4,9-16H2,1H3,(H,32,35)(H,33,36)/t18?,19?,20?,21?,25-,26-,27?,30+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Warner-Lambert Company
Curated by ChEMBL
| Assay Description
Inhibitory concentration against radioligand [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type A receptor in the rat pancreas |
J Med Chem 41: 38-45 (1998)
Article DOI: 10.1021/jm970065l
BindingDB Entry DOI: 10.7270/Q2GT5NV6 |
More data for this
Ligand-Target Pair | |
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