Found 54 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) | 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 Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
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 | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005813
(3-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-ind...)Show SMILES COC(=O)C=CC(=O)N[C@H](COC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)c1ccccc1 |w:4.3,wU:33.34,31.43,37.38,wD:9.8,35.42,TLB:29:30:36:33.38.34,THB:34:35:30:33.32.38,32:31:36:33.38.34,32:33:30.31.39:36,(24.56,-12.48,;23.08,-12.88,;21.98,-11.81,;22.34,-10.31,;20.48,-12.24,;19.39,-11.15,;17.92,-11.56,;17.53,-13.07,;16.79,-10.5,;17.18,-9.02,;16.31,-7.74,;14.77,-7.84,;13.9,-6.58,;14.58,-5.2,;12.4,-6.69,;13.16,-8.02,;11.15,-5.79,;11.31,-4.25,;10.15,-3.24,;10.76,-1.83,;12.3,-1.97,;13.42,-.94,;14.9,-1.39,;15.22,-2.92,;14.09,-3.96,;12.62,-3.48,;11.62,-8.02,;10.08,-8,;9.32,-6.65,;9.28,-9.32,;7.74,-9.28,;6.36,-8.71,;5.02,-9.19,;5.02,-10.66,;3.83,-11.94,;5.31,-11.52,;6.72,-12.08,;7.74,-10.81,;6.33,-11.15,;5.31,-9.93,;18.55,-8.29,;19.84,-9.12,;21.21,-8.42,;21.27,-6.88,;19.96,-6.04,;18.59,-6.77,)| Show InChI InChI=1S/C36H41N3O7/c1-36(19-27-20-37-29-11-7-6-10-28(27)29,39-35(43)46-33-25-15-22-14-23(17-25)18-26(33)16-22)34(42)45-21-30(24-8-4-3-5-9-24)38-31(40)12-13-32(41)44-2/h3-13,20,22-23,25-26,30,33,37H,14-19,21H2,1-2H3,(H,38,40)(H,39,43)/t22-,23+,25-,26+,30-,33?,36?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 39 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005816
(CHEMBL284361 | N-{2-[2-(Adamantan-2-yloxycarbonyla...)Show SMILES COC(=O)CCC(=O)N[C@H](COC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)c1ccccc1 |wU:33.34,37.38,wD:9.8,35.42,31.33,TLB:29:30:36:33.38.34,THB:32:31:36:33.38.34,32:33:36:30.31.39,(24.56,-12.48,;23.08,-12.88,;21.98,-11.81,;22.34,-10.31,;20.48,-12.24,;19.39,-11.15,;17.92,-11.56,;17.53,-13.07,;16.79,-10.5,;17.18,-9.02,;16.31,-7.74,;14.77,-7.84,;13.9,-6.58,;14.58,-5.2,;12.4,-6.69,;13.16,-8.02,;11.15,-5.79,;11.31,-4.25,;10.15,-3.24,;10.76,-1.83,;12.3,-1.97,;13.42,-.94,;14.9,-1.39,;15.22,-2.92,;14.09,-3.96,;12.62,-3.48,;11.62,-8.02,;10.08,-8,;9.32,-6.65,;9.28,-9.32,;7.74,-9.28,;6.36,-8.71,;5.02,-9.19,;5.02,-10.66,;3.83,-11.94,;5.31,-11.52,;6.72,-12.08,;7.74,-10.81,;6.33,-11.15,;5.31,-9.93,;18.55,-8.29,;19.84,-9.12,;21.21,-8.42,;21.27,-6.88,;19.96,-6.04,;18.59,-6.77,)| Show InChI InChI=1S/C36H43N3O7/c1-36(19-27-20-37-29-11-7-6-10-28(27)29,39-35(43)46-33-25-15-22-14-23(17-25)18-26(33)16-22)34(42)45-21-30(24-8-4-3-5-9-24)38-31(40)12-13-32(41)44-2/h3-11,20,22-23,25-26,30,33,37H,12-19,21H2,1-2H3,(H,38,40)(H,39,43)/t22-,23+,25-,26+,30-,33?,36?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005822
(CHEMBL36443 | [2-(1H-Indol-3-yl)-1-methyl-1-(methy...)Show SMILES CN(CCc1ccccc1)C(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.41,35.39,29.32,wD:31.33,TLB:27:28:34:31.36.32,THB:30:29:34:31.36.32,30:31:34:28.29.37,32:31:28:33.34.37,(14.82,-9.82,;15.49,-8.41,;17.01,-8.32,;17.88,-9.59,;19.26,-8.86,;20.54,-9.7,;21.92,-8.99,;21.98,-7.45,;20.67,-6.62,;19.31,-7.35,;14.63,-7.15,;15.3,-5.77,;13.1,-7.26,;13.87,-8.6,;11.85,-6.36,;12.01,-4.82,;10.85,-3.82,;11.48,-2.41,;13,-2.54,;14.15,-1.52,;15.6,-1.97,;15.94,-3.5,;14.8,-4.53,;13.34,-4.05,;12.33,-8.6,;10.79,-8.58,;10.04,-7.23,;10.01,-9.89,;8.47,-9.86,;8.47,-11.39,;7.44,-12.65,;6.04,-12.09,;4.53,-12.51,;5.74,-11.24,;5.72,-9.76,;7.07,-9.28,;6.03,-10.5,;7.06,-11.72,)| Show InChI InChI=1S/C32H39N3O3/c1-32(19-26-20-33-28-11-7-6-10-27(26)28,30(36)35(2)13-12-21-8-4-3-5-9-21)34-31(37)38-29-24-15-22-14-23(17-24)18-25(29)16-22/h3-11,20,22-25,29,33H,12-19H2,1-2H3,(H,34,37)/t22-,23+,24-,25+,29?,32? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005810
(CHEMBL286442 | [2-(1H-Indol-3-yl)-1-(2-phenethyl-4...)Show SMILES O=C(NC(Cc1c[nH]c2ccccc12)C1CN=C(CCc2ccccc2)S1)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.37,wD:31.41,35.38,29.43,t:18,TLB:27:28:30:33.37.32,THB:34:35:30:33.37.32,34:33:28.35.36:30,32:33:28:31.36.30,(5.05,-4.21,;5.78,-5.56,;7.35,-5.59,;8.13,-4.24,;6.88,-3.35,;7.04,-1.81,;5.88,-.81,;6.49,.6,;8.03,.47,;9.15,1.5,;10.63,1.05,;10.95,-.49,;9.82,-1.52,;8.35,-1.04,;9.6,-4.66,;10.15,-6.07,;11.69,-6.01,;12.07,-4.5,;13.61,-4.41,;14.48,-5.69,;15.85,-4.95,;17.14,-5.78,;18.49,-5.08,;18.57,-3.54,;17.26,-2.71,;15.89,-3.44,;10.79,-3.67,;5.01,-6.88,;3.47,-6.84,;3.47,-8.38,;2.45,-9.63,;1.06,-9.09,;-.44,-9.51,;.75,-8.22,;.75,-6.75,;2.1,-6.27,;1.04,-7.48,;2.06,-8.7,)| Show InChI InChI=1S/C32H37N3O2S/c36-32(37-31-23-13-21-12-22(15-23)16-24(31)14-21)35-28(17-25-18-33-27-9-5-4-8-26(25)27)29-19-34-30(38-29)11-10-20-6-2-1-3-7-20/h1-9,18,21-24,28-29,31,33H,10-17,19H2,(H,35,36)/t21-,22+,23-,24+,28?,29?,31? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005810
(CHEMBL286442 | [2-(1H-Indol-3-yl)-1-(2-phenethyl-4...)Show SMILES O=C(NC(Cc1c[nH]c2ccccc12)C1CN=C(CCc2ccccc2)S1)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.37,wD:31.41,35.38,29.43,t:18,TLB:27:28:30:33.37.32,THB:34:35:30:33.37.32,34:33:28.35.36:30,32:33:28:31.36.30,(5.05,-4.21,;5.78,-5.56,;7.35,-5.59,;8.13,-4.24,;6.88,-3.35,;7.04,-1.81,;5.88,-.81,;6.49,.6,;8.03,.47,;9.15,1.5,;10.63,1.05,;10.95,-.49,;9.82,-1.52,;8.35,-1.04,;9.6,-4.66,;10.15,-6.07,;11.69,-6.01,;12.07,-4.5,;13.61,-4.41,;14.48,-5.69,;15.85,-4.95,;17.14,-5.78,;18.49,-5.08,;18.57,-3.54,;17.26,-2.71,;15.89,-3.44,;10.79,-3.67,;5.01,-6.88,;3.47,-6.84,;3.47,-8.38,;2.45,-9.63,;1.06,-9.09,;-.44,-9.51,;.75,-8.22,;.75,-6.75,;2.1,-6.27,;1.04,-7.48,;2.06,-8.7,)| Show InChI InChI=1S/C32H37N3O2S/c36-32(37-31-23-13-21-12-22(15-23)16-24(31)14-21)35-28(17-25-18-33-27-9-5-4-8-26(25)27)29-19-34-30(38-29)11-10-20-6-2-1-3-7-20/h1-9,18,21-24,28-29,31,33H,10-17,19H2,(H,35,36)/t21-,22+,23-,24+,28?,29?,31? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005815
(CHEMBL280502 | [1-(2-Hydroxymethyl-3-phenyl-propio...)Show SMILES OCC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:31.33,35.37,wD:33.41,29.32,TLB:27:28:34:31.36.32,THB:30:29:34:31.36.32,30:31:34:28.29.37,(18.97,-6.87,;17.43,-6.97,;16.76,-8.35,;17.62,-9.63,;19.16,-9.51,;20.02,-10.79,;21.54,-10.68,;22.21,-9.28,;21.34,-8.02,;19.8,-8.13,;15.22,-8.47,;14.54,-9.86,;14.35,-7.2,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;6.81,-9.31,;5.46,-9.8,;5.46,-11.27,;4.28,-12.55,;5.77,-12.14,;7.16,-12.7,;8.19,-11.43,;6.78,-11.77,;5.75,-10.55,)| Show InChI InChI=1S/C31H37N3O4/c35-18-25(11-19-6-2-1-3-7-19)30(36)33-28(16-24-17-32-27-9-5-4-8-26(24)27)34-31(37)38-29-22-12-20-10-21(14-22)15-23(29)13-20/h1-9,17,20-23,25,28-29,32,35H,10-16,18H2,(H,33,36)(H,34,37)/t20-,21+,22-,23+,25?,28?,29? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 317 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005816
(CHEMBL284361 | N-{2-[2-(Adamantan-2-yloxycarbonyla...)Show SMILES COC(=O)CCC(=O)N[C@H](COC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)c1ccccc1 |wU:33.34,37.38,wD:9.8,35.42,31.33,TLB:29:30:36:33.38.34,THB:32:31:36:33.38.34,32:33:36:30.31.39,(24.56,-12.48,;23.08,-12.88,;21.98,-11.81,;22.34,-10.31,;20.48,-12.24,;19.39,-11.15,;17.92,-11.56,;17.53,-13.07,;16.79,-10.5,;17.18,-9.02,;16.31,-7.74,;14.77,-7.84,;13.9,-6.58,;14.58,-5.2,;12.4,-6.69,;13.16,-8.02,;11.15,-5.79,;11.31,-4.25,;10.15,-3.24,;10.76,-1.83,;12.3,-1.97,;13.42,-.94,;14.9,-1.39,;15.22,-2.92,;14.09,-3.96,;12.62,-3.48,;11.62,-8.02,;10.08,-8,;9.32,-6.65,;9.28,-9.32,;7.74,-9.28,;6.36,-8.71,;5.02,-9.19,;5.02,-10.66,;3.83,-11.94,;5.31,-11.52,;6.72,-12.08,;7.74,-10.81,;6.33,-11.15,;5.31,-9.93,;18.55,-8.29,;19.84,-9.12,;21.21,-8.42,;21.27,-6.88,;19.96,-6.04,;18.59,-6.77,)| Show InChI InChI=1S/C36H43N3O7/c1-36(19-27-20-37-29-11-7-6-10-28(27)29,39-35(43)46-33-25-15-22-14-23(17-25)18-26(33)16-22)34(42)45-21-30(24-8-4-3-5-9-24)38-31(40)12-13-32(41)44-2/h3-11,20,22-23,25-26,30,33,37H,12-19,21H2,1-2H3,(H,38,40)(H,39,43)/t22-,23+,25-,26+,30-,33?,36?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 351 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005813
(3-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-ind...)Show SMILES COC(=O)C=CC(=O)N[C@H](COC(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)c1ccccc1 |w:4.3,wU:33.34,31.43,37.38,wD:9.8,35.42,TLB:29:30:36:33.38.34,THB:34:35:30:33.32.38,32:31:36:33.38.34,32:33:30.31.39:36,(24.56,-12.48,;23.08,-12.88,;21.98,-11.81,;22.34,-10.31,;20.48,-12.24,;19.39,-11.15,;17.92,-11.56,;17.53,-13.07,;16.79,-10.5,;17.18,-9.02,;16.31,-7.74,;14.77,-7.84,;13.9,-6.58,;14.58,-5.2,;12.4,-6.69,;13.16,-8.02,;11.15,-5.79,;11.31,-4.25,;10.15,-3.24,;10.76,-1.83,;12.3,-1.97,;13.42,-.94,;14.9,-1.39,;15.22,-2.92,;14.09,-3.96,;12.62,-3.48,;11.62,-8.02,;10.08,-8,;9.32,-6.65,;9.28,-9.32,;7.74,-9.28,;6.36,-8.71,;5.02,-9.19,;5.02,-10.66,;3.83,-11.94,;5.31,-11.52,;6.72,-12.08,;7.74,-10.81,;6.33,-11.15,;5.31,-9.93,;18.55,-8.29,;19.84,-9.12,;21.21,-8.42,;21.27,-6.88,;19.96,-6.04,;18.59,-6.77,)| Show InChI InChI=1S/C36H41N3O7/c1-36(19-27-20-37-29-11-7-6-10-28(27)29,39-35(43)46-33-25-15-22-14-23(17-25)18-26(33)16-22)34(42)45-21-30(24-8-4-3-5-9-24)38-31(40)12-13-32(41)44-2/h3-13,20,22-23,25-26,30,33,37H,14-19,21H2,1-2H3,(H,38,40)(H,39,43)/t22-,23+,25-,26+,30-,33?,36?/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 394 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005831
(2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-y...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)OCCc1ccccc1 |wU:19.20,17.29,wD:21.28,23.26,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:16.17.25:22,(13.87,-8.6,;13.1,-7.26,;11.85,-6.36,;12.01,-4.82,;10.85,-3.82,;11.48,-2.41,;13,-2.54,;14.15,-1.52,;15.6,-1.97,;15.94,-3.5,;14.8,-4.53,;13.34,-4.05,;12.33,-8.6,;10.79,-8.58,;10.04,-7.23,;10.01,-9.89,;8.47,-9.86,;7.07,-9.28,;5.72,-9.76,;5.74,-11.24,;4.53,-12.51,;6.04,-12.09,;7.44,-12.65,;8.47,-11.39,;7.06,-11.72,;6.03,-10.5,;14.63,-7.15,;15.3,-5.77,;15.49,-8.41,;17.01,-8.32,;17.88,-9.59,;19.26,-8.86,;19.31,-7.35,;20.67,-6.62,;21.98,-7.45,;21.92,-8.99,;20.54,-9.7,)| Show InChI InChI=1S/C31H36N2O4/c1-31(18-25-19-32-27-10-6-5-9-26(25)27,29(34)36-12-11-20-7-3-2-4-8-20)33-30(35)37-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,32H,11-18H2,1H3,(H,33,35)/t21-,22+,23-,24+,28?,31? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 547 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005812
(CHEMBL285880 | [2-Hydroxy-1-(1H-indol-3-ylmethyl)-...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(O)CCCc1ccccc1 |wU:21.23,wD:19.27,23.24,17.29,TLB:15:16:18:21.25.20,THB:20:21:16:19.24.18,22:23:18:21.25.20,22:21:16.23.24:18,(8.5,-3.74,;7.75,-2.42,;6.5,-1.52,;6.66,.02,;5.48,1.05,;6.12,2.47,;7.65,2.3,;8.79,3.34,;10.26,2.88,;10.59,1.37,;9.43,.32,;7.99,.79,;6.96,-3.74,;5.41,-3.73,;4.67,-2.38,;4.64,-5.05,;3.1,-5.02,;3.1,-6.54,;2.07,-7.82,;.65,-7.25,;-.84,-7.66,;.36,-6.4,;.35,-4.92,;1.7,-4.44,;.65,-5.67,;1.68,-6.89,;9.27,-2.29,;9.95,-.91,;10.14,-3.58,;11.67,-3.47,;12.54,-4.74,;13.9,-4.03,;13.97,-2.49,;15.32,-1.78,;16.64,-2.6,;16.57,-4.15,;15.21,-4.87,)| Show InChI InChI=1S/C32H40N2O3/c1-32(19-26-20-33-28-12-6-5-11-27(26)28,29(35)13-7-10-21-8-3-2-4-9-21)34-31(36)37-30-24-15-22-14-23(17-24)18-25(30)16-22/h2-6,8-9,11-12,20,22-25,29-30,33,35H,7,10,13-19H2,1H3,(H,34,36)/t22-,23+,24-,25+,29?,30?,32? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 595 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
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 | 640 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005822
(CHEMBL36443 | [2-(1H-Indol-3-yl)-1-methyl-1-(methy...)Show SMILES CN(CCc1ccccc1)C(=O)C(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.41,35.39,29.32,wD:31.33,TLB:27:28:34:31.36.32,THB:30:29:34:31.36.32,30:31:34:28.29.37,32:31:28:33.34.37,(14.82,-9.82,;15.49,-8.41,;17.01,-8.32,;17.88,-9.59,;19.26,-8.86,;20.54,-9.7,;21.92,-8.99,;21.98,-7.45,;20.67,-6.62,;19.31,-7.35,;14.63,-7.15,;15.3,-5.77,;13.1,-7.26,;13.87,-8.6,;11.85,-6.36,;12.01,-4.82,;10.85,-3.82,;11.48,-2.41,;13,-2.54,;14.15,-1.52,;15.6,-1.97,;15.94,-3.5,;14.8,-4.53,;13.34,-4.05,;12.33,-8.6,;10.79,-8.58,;10.04,-7.23,;10.01,-9.89,;8.47,-9.86,;8.47,-11.39,;7.44,-12.65,;6.04,-12.09,;4.53,-12.51,;5.74,-11.24,;5.72,-9.76,;7.07,-9.28,;6.03,-10.5,;7.06,-11.72,)| Show InChI InChI=1S/C32H39N3O3/c1-32(19-26-20-33-28-11-7-6-10-27(26)28,30(36)35(2)13-12-21-8-4-3-5-9-21)34-31(37)38-29-24-15-22-14-23(17-24)18-25(29)16-22/h3-11,20,22-25,29,33H,12-19H2,1-2H3,(H,34,37)/t22-,23+,24-,25+,29?,32? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 757 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50368603
(CHEMBL1237153)Show SMILES OCC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |r,wU:33.41,31.33,35.39,wD:29.32,TLB:27:28:37.33.32:30,THB:34:33:28.36.35:30,34:35:37.33.32:30,(-1.5,-4.52,;-2.98,-4.08,;-3.35,-2.59,;-4.82,-2.15,;-5.94,-3.22,;-5.57,-4.71,;-6.69,-5.78,;-8.17,-5.34,;-8.53,-3.85,;-7.42,-2.78,;-2.23,-1.52,;-3.41,-.53,;-.75,-1.96,;.36,-.89,;-0,.6,;-1.48,1.04,;-2.7,.1,;-3.97,.96,;-3.54,2.44,;-4.35,3.75,;-3.62,5.11,;-2.08,5.15,;-1.27,3.84,;-2,2.49,;1.84,-1.33,;2.95,-.26,;2.59,1.23,;4.43,-.7,;5.54,.37,;6.92,1.06,;8.29,.37,;9.13,1.84,;9.13,3.24,;7.76,3.93,;6.38,3.24,;6.38,1.84,;7.76,1.14,;6.92,2.46,)| Show InChI InChI=1S/C31H37N3O4/c35-18-25(11-19-6-2-1-3-7-19)30(36)33-28(16-24-17-32-27-9-5-4-8-26(24)27)34-31(37)38-29-22-12-20-10-21(14-22)15-23(29)13-20/h1-9,17,20-23,25,28-29,32,35H,10-16,18H2,(H,33,36)(H,34,37)/t20-,21+,22-,23+,25?,28?,29? | 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 Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005826
(CHEMBL286843 | [2-(1H-Indol-3-yl)-1-methyl-1-(2-ph...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C1SC(CCc2ccccc2)C=N1 |wU:19.27,wD:21.23,17.19,23.26,c:43,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,(.45,-8.95,;.06,-7.45,;-1.19,-6.55,;-1.03,-5.01,;-2.18,-4.02,;-1.57,-2.61,;-.03,-2.73,;1.09,-1.71,;2.56,-2.16,;2.88,-3.7,;1.74,-4.72,;.29,-4.24,;-.73,-8.79,;-2.26,-8.76,;-3.01,-7.41,;-3.04,-10.07,;-4.58,-10.04,;-5.96,-9.46,;-7.31,-9.95,;-7.31,-11.42,;-8.49,-12.7,;-7.01,-12.28,;-5.61,-12.83,;-4.58,-11.58,;-5.99,-11.9,;-7.02,-10.68,;1.54,-7.86,;2.72,-6.87,;4.01,-7.7,;5.54,-7.61,;6.41,-8.89,;7.77,-8.15,;7.82,-6.64,;9.18,-5.91,;10.49,-6.74,;10.42,-8.28,;9.07,-8.98,;3.62,-9.21,;2.08,-9.27,)| Show InChI InChI=1S/C33H39N3O2S/c1-33(18-26-19-34-29-10-6-5-9-28(26)29,31-35-20-27(39-31)12-11-21-7-3-2-4-8-21)36-32(37)38-30-24-14-22-13-23(16-24)17-25(30)15-22/h2-10,19-20,22-25,27,30-31,34H,11-18H2,1H3,(H,36,37)/t22-,23+,24-,25+,27?,30?,31?,33? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 801 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005817
(CHEMBL287682 | [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(=S)NCCc1ccccc1 |wU:19.20,17.29,wD:21.28,23.26,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:16.17.25:22,(13.87,-8.61,;13.1,-7.28,;11.85,-6.38,;12.01,-4.84,;10.85,-3.83,;11.49,-2.42,;13,-2.57,;14.15,-1.52,;15.6,-1.99,;15.95,-3.51,;14.8,-4.53,;13.35,-4.07,;12.33,-8.6,;10.79,-8.58,;10.04,-7.23,;10.01,-9.89,;8.47,-9.86,;7.07,-9.28,;5.72,-9.76,;5.74,-11.24,;4.53,-12.52,;6.04,-12.11,;7.44,-12.67,;8.47,-11.4,;7.06,-11.74,;6.03,-10.52,;14.63,-7.17,;15.3,-5.79,;15.5,-8.44,;17.01,-8.32,;17.88,-9.6,;19.26,-8.89,;19.31,-7.36,;20.67,-6.64,;21.99,-7.45,;21.92,-8.99,;20.54,-9.72,)| Show InChI InChI=1S/C31H37N3O2S/c1-31(18-25-19-33-27-10-6-5-9-26(25)27,29(37)32-12-11-20-7-3-2-4-8-20)34-30(35)36-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,33H,11-18H2,1H3,(H,32,37)(H,34,35)/t21-,22+,23-,24+,28?,31? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 808 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005826
(CHEMBL286843 | [2-(1H-Indol-3-yl)-1-methyl-1-(2-ph...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C1SC(CCc2ccccc2)C=N1 |wU:19.27,wD:21.23,17.19,23.26,c:43,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,(.45,-8.95,;.06,-7.45,;-1.19,-6.55,;-1.03,-5.01,;-2.18,-4.02,;-1.57,-2.61,;-.03,-2.73,;1.09,-1.71,;2.56,-2.16,;2.88,-3.7,;1.74,-4.72,;.29,-4.24,;-.73,-8.79,;-2.26,-8.76,;-3.01,-7.41,;-3.04,-10.07,;-4.58,-10.04,;-5.96,-9.46,;-7.31,-9.95,;-7.31,-11.42,;-8.49,-12.7,;-7.01,-12.28,;-5.61,-12.83,;-4.58,-11.58,;-5.99,-11.9,;-7.02,-10.68,;1.54,-7.86,;2.72,-6.87,;4.01,-7.7,;5.54,-7.61,;6.41,-8.89,;7.77,-8.15,;7.82,-6.64,;9.18,-5.91,;10.49,-6.74,;10.42,-8.28,;9.07,-8.98,;3.62,-9.21,;2.08,-9.27,)| Show InChI InChI=1S/C33H39N3O2S/c1-33(18-26-19-34-29-10-6-5-9-28(26)29,31-35-20-27(39-31)12-11-21-7-3-2-4-8-21)36-32(37)38-30-24-14-22-13-23(16-24)17-25(30)15-22/h2-10,19-20,22-25,27,30-31,34H,11-18H2,1H3,(H,36,37)/t22-,23+,24-,25+,27?,30?,31?,33? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 827 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005811
(CHEMBL285049 | [1-(1-Hydroxymethyl-2-phenyl-ethylc...)Show SMILES OCC(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.36,35.39,29.32,wD:31.40,TLB:27:28:30:33.37.32,THB:34:35:30:33.37.32,34:33:28.35.36:30,32:31:28:33.34.37,(18.97,-6.87,;17.43,-6.97,;16.76,-8.35,;17.62,-9.64,;19.16,-9.51,;20.02,-10.79,;21.54,-10.68,;22.21,-9.28,;21.35,-8.02,;19.81,-8.13,;15.22,-8.47,;14.35,-7.2,;15.03,-5.82,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;8.19,-11.43,;7.17,-12.7,;5.77,-12.14,;4.28,-12.55,;5.46,-11.27,;5.46,-9.8,;6.81,-9.31,;5.75,-10.55,;6.78,-11.77,)| Show InChI InChI=1S/C31H37N3O4/c35-18-25(15-19-6-2-1-3-7-19)33-30(36)28(16-24-17-32-27-9-5-4-8-26(24)27)34-31(37)38-29-22-11-20-10-21(13-22)14-23(29)12-20/h1-9,17,20-23,25,28-29,32,35H,10-16,18H2,(H,33,36)(H,34,37)/t20-,21+,22-,23+,25?,28?,29? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 852 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005829
(6-{[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol...)Show SMILES CCOC(=O)CCCCCC(=O)N(CCc1ccccc1)CC(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:43.51,39.42,wD:41.43,45.47,TLB:37:38:44:41.46.42,THB:40:39:44:41.46.42,40:41:44:38.39.47,(15.82,-18.44,;14.48,-17.65,;14.5,-16.11,;13.16,-15.34,;11.84,-16.1,;13.18,-13.8,;11.85,-13.02,;11.87,-11.48,;10.53,-10.69,;10.55,-9.15,;9.22,-8.38,;7.87,-9.15,;9.24,-6.84,;10.69,-6.39,;11.81,-7.45,;13.29,-7,;14.41,-8.05,;15.89,-7.61,;16.24,-6.11,;15.11,-5.05,;13.64,-5.5,;8.37,-5.58,;6.84,-5.69,;7.61,-7.02,;5.59,-4.79,;5.75,-3.25,;4.6,-2.25,;5.23,-.83,;6.75,-.97,;7.89,.05,;9.35,-.4,;9.69,-1.92,;8.54,-2.96,;7.09,-2.48,;6.07,-7,;4.53,-7,;3.79,-5.66,;3.75,-8.32,;2.21,-8.29,;2.21,-9.82,;1.19,-11.08,;-.21,-10.52,;-1.72,-10.92,;-.51,-9.67,;-.53,-8.18,;.81,-7.71,;-.22,-8.93,;.8,-10.15,)| Show InChI InChI=1S/C40H53N3O5/c1-3-47-37(45)17-9-5-8-16-36(44)43(19-18-28-12-6-4-7-13-28)27-40(2,25-33-26-41-35-15-11-10-14-34(33)35)42-39(46)48-38-31-21-29-20-30(23-31)24-32(38)22-29/h4,6-7,10-15,26,29-32,38,41H,3,5,8-9,16-25,27H2,1-2H3,(H,42,46)/t29-,30+,31-,32+,38?,40? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 863 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005828
(2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-y...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)SCCc1ccccc1 |wU:19.20,17.29,wD:21.28,23.26,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:16.17.25:22,(13.87,-8.6,;13.1,-7.26,;11.85,-6.36,;12.01,-4.82,;10.85,-3.82,;11.48,-2.41,;13,-2.54,;14.15,-1.52,;15.6,-1.97,;15.94,-3.5,;14.8,-4.53,;13.34,-4.05,;12.33,-8.6,;10.79,-8.58,;10.04,-7.23,;10.01,-9.89,;8.47,-9.86,;7.07,-9.28,;5.72,-9.76,;5.74,-11.24,;4.53,-12.51,;6.04,-12.09,;7.44,-12.65,;8.47,-11.39,;7.06,-11.72,;6.03,-10.5,;14.63,-7.15,;15.3,-5.77,;15.49,-8.41,;17.01,-8.32,;17.88,-9.59,;19.26,-8.86,;19.31,-7.35,;20.67,-6.62,;21.98,-7.45,;21.92,-8.99,;20.54,-9.7,)| Show InChI InChI=1S/C31H36N2O3S/c1-31(18-25-19-32-27-10-6-5-9-26(25)27,29(34)37-12-11-20-7-3-2-4-8-20)33-30(35)36-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,32H,11-18H2,1H3,(H,33,35)/t21-,22+,23-,24+,28?,31? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 932 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50368603
(CHEMBL1237153)Show SMILES OCC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |r,wU:33.41,31.33,35.39,wD:29.32,TLB:27:28:37.33.32:30,THB:34:33:28.36.35:30,34:35:37.33.32:30,(-1.5,-4.52,;-2.98,-4.08,;-3.35,-2.59,;-4.82,-2.15,;-5.94,-3.22,;-5.57,-4.71,;-6.69,-5.78,;-8.17,-5.34,;-8.53,-3.85,;-7.42,-2.78,;-2.23,-1.52,;-3.41,-.53,;-.75,-1.96,;.36,-.89,;-0,.6,;-1.48,1.04,;-2.7,.1,;-3.97,.96,;-3.54,2.44,;-4.35,3.75,;-3.62,5.11,;-2.08,5.15,;-1.27,3.84,;-2,2.49,;1.84,-1.33,;2.95,-.26,;2.59,1.23,;4.43,-.7,;5.54,.37,;6.92,1.06,;8.29,.37,;9.13,1.84,;9.13,3.24,;7.76,3.93,;6.38,3.24,;6.38,1.84,;7.76,1.14,;6.92,2.46,)| Show InChI InChI=1S/C31H37N3O4/c35-18-25(11-19-6-2-1-3-7-19)30(36)33-28(16-24-17-32-27-9-5-4-8-26(24)27)34-31(37)38-29-22-12-20-10-21(14-22)15-23(29)13-20/h1-9,17,20-23,25,28-29,32,35H,10-16,18H2,(H,33,36)(H,34,37)/t20-,21+,22-,23+,25?,28?,29? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 976 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005824
(CHEMBL288037 | [1-[(Acetyl-phenethyl-amino)-methyl...)Show SMILES CC(=O)N(CCc1ccccc1)CC(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:34.42,30.33,wD:32.34,36.38,TLB:28:29:35:32.37.33,THB:31:30:35:32.37.33,31:32:35:29.30.38,(15.35,-10.75,;14.04,-9.98,;12.69,-10.73,;14.04,-8.44,;15.51,-7.99,;16.64,-9.03,;18.11,-8.58,;18.46,-7.09,;19.91,-6.64,;21.06,-7.68,;20.71,-9.19,;19.24,-9.64,;13.17,-7.17,;11.66,-7.29,;12.42,-8.61,;10.41,-6.39,;10.57,-4.85,;9.42,-3.83,;10.02,-2.42,;11.57,-2.57,;12.69,-1.52,;14.17,-1.99,;14.49,-3.51,;13.35,-4.54,;11.89,-4.08,;10.88,-8.6,;9.34,-8.58,;8.58,-7.23,;8.55,-9.9,;7.01,-9.86,;7.01,-11.41,;5.98,-12.68,;4.59,-12.11,;3.09,-12.53,;4.28,-11.24,;4.28,-9.77,;5.63,-9.29,;4.57,-10.53,;5.6,-11.75,)| Show InChI InChI=1S/C33H41N3O3/c1-22(37)36(13-12-23-8-4-3-5-9-23)21-33(2,19-28-20-34-30-11-7-6-10-29(28)30)35-32(38)39-31-26-15-24-14-25(17-26)18-27(31)16-24/h3-11,20,24-27,31,34H,12-19,21H2,1-2H3,(H,35,38)/t24-,25+,26-,27+,31?,33? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005831
(2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-y...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)OCCc1ccccc1 |wU:19.20,17.29,wD:21.28,23.26,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:16.17.25:22,(13.87,-8.6,;13.1,-7.26,;11.85,-6.36,;12.01,-4.82,;10.85,-3.82,;11.48,-2.41,;13,-2.54,;14.15,-1.52,;15.6,-1.97,;15.94,-3.5,;14.8,-4.53,;13.34,-4.05,;12.33,-8.6,;10.79,-8.58,;10.04,-7.23,;10.01,-9.89,;8.47,-9.86,;7.07,-9.28,;5.72,-9.76,;5.74,-11.24,;4.53,-12.51,;6.04,-12.09,;7.44,-12.65,;8.47,-11.39,;7.06,-11.72,;6.03,-10.5,;14.63,-7.15,;15.3,-5.77,;15.49,-8.41,;17.01,-8.32,;17.88,-9.59,;19.26,-8.86,;19.31,-7.35,;20.67,-6.62,;21.98,-7.45,;21.92,-8.99,;20.54,-9.7,)| Show InChI InChI=1S/C31H36N2O4/c1-31(18-25-19-32-27-10-6-5-9-26(25)27,29(34)36-12-11-20-7-3-2-4-8-20)33-30(35)37-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,32H,11-18H2,1H3,(H,33,35)/t21-,22+,23-,24+,28?,31? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005811
(CHEMBL285049 | [1-(1-Hydroxymethyl-2-phenyl-ethylc...)Show SMILES OCC(Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.36,35.39,29.32,wD:31.40,TLB:27:28:30:33.37.32,THB:34:35:30:33.37.32,34:33:28.35.36:30,32:31:28:33.34.37,(18.97,-6.87,;17.43,-6.97,;16.76,-8.35,;17.62,-9.64,;19.16,-9.51,;20.02,-10.79,;21.54,-10.68,;22.21,-9.28,;21.35,-8.02,;19.81,-8.13,;15.22,-8.47,;14.35,-7.2,;15.03,-5.82,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;8.19,-11.43,;7.17,-12.7,;5.77,-12.14,;4.28,-12.55,;5.46,-11.27,;5.46,-9.8,;6.81,-9.31,;5.75,-10.55,;6.78,-11.77,)| Show InChI InChI=1S/C31H37N3O4/c35-18-25(15-19-6-2-1-3-7-19)33-30(36)28(16-24-17-32-27-9-5-4-8-26(24)27)34-31(37)38-29-22-11-20-10-21(13-22)14-23(29)12-20/h1-9,17,20-23,25,28-29,32,35H,10-16,18H2,(H,33,36)(H,34,37)/t20-,21+,22-,23+,25?,28?,29? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005825
(CHEMBL445094 | N-[2-(Adamantan-2-yloxycarbonylamin...)Show SMILES CC(CN(CCc1ccccc1)C(=O)CCC(O)=O)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:36.45,wD:38.41,34.37,40.44,TLB:32:33:35:38.42.37,THB:39:40:35:38.42.37,39:38:35:33.40.41,37:36:33:38.42.39,(13.58,-7.52,;12.82,-6.21,;14.33,-6.08,;15.2,-7.36,;16.68,-6.91,;17.8,-7.96,;19.28,-7.51,;19.62,-6.02,;21.07,-5.57,;22.22,-6.61,;21.88,-8.12,;20.4,-8.55,;15.2,-8.91,;13.85,-9.67,;16.52,-9.68,;16.52,-11.22,;17.83,-11.99,;17.83,-13.53,;19.18,-11.24,;11.57,-5.31,;11.73,-3.77,;10.57,-2.74,;11.18,-1.33,;12.73,-1.49,;13.85,-.45,;15.33,-.91,;15.65,-2.42,;14.51,-3.47,;13.05,-3,;12.04,-7.52,;10.5,-7.51,;9.74,-6.17,;9.71,-8.83,;8.17,-8.8,;6.79,-8.22,;5.44,-8.68,;5.44,-10.18,;4.25,-11.44,;5.75,-11.02,;7.14,-11.6,;8.17,-10.32,;6.75,-10.67,;5.73,-9.45,)| Show InChI InChI=1S/C35H43N3O5/c1-35(20-28-21-36-30-10-6-5-9-29(28)30,37-34(42)43-33-26-16-24-15-25(18-26)19-27(33)17-24)22-38(31(39)11-12-32(40)41)14-13-23-7-3-2-4-8-23/h2-10,21,24-27,33,36H,11-20,22H2,1H3,(H,37,42)(H,40,41)/t24-,25+,26-,27+,33?,35? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005814
(CHEMBL422941 | [1-[(1-Hydroxymethyl-2-phenyl-ethyl...)Show SMILES CN(C(CO)Cc1ccccc1)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:32.34,36.38,wD:34.42,30.33,TLB:28:29:35:32.37.33,THB:31:30:35:32.37.33,31:32:35:29.30.38,(14.54,-9.86,;15.22,-8.47,;16.76,-8.35,;17.43,-6.97,;18.97,-6.87,;17.62,-9.64,;19.16,-9.51,;20.02,-10.79,;21.54,-10.68,;22.21,-9.28,;21.35,-8.02,;19.81,-8.13,;14.35,-7.2,;15.02,-5.82,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;6.81,-9.31,;5.46,-9.8,;5.46,-11.27,;4.28,-12.55,;5.77,-12.14,;7.16,-12.7,;8.19,-11.43,;6.78,-11.77,;5.75,-10.55,)| Show InChI InChI=1S/C32H39N3O4/c1-35(26(19-36)16-20-7-3-2-4-8-20)31(37)29(17-25-18-33-28-10-6-5-9-27(25)28)34-32(38)39-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,18,21-24,26,29-30,33,36H,11-17,19H2,1H3,(H,34,38)/t21-,22+,23-,24+,26?,29?,30? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005809
(CHEMBL35555 | [2-(1H-Indol-3-yl)-1-methyl-1-(phene...)Show SMILES CC(CNCCc1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:29.38,wD:31.34,27.30,33.37,TLB:25:26:28:31.35.30,THB:32:33:28:31.35.30,32:31:28:26.33.34,30:29:26:31.35.32,(13.64,-8.63,;12.89,-7.3,;14.42,-7.18,;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,;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,;6.85,-9.3,;5.48,-9.79,;5.51,-11.27,;4.31,-12.55,;5.8,-12.13,;7.21,-12.7,;8.24,-11.43,;6.83,-11.77,;5.8,-10.55,)| Show InChI InChI=1S/C31H39N3O2/c1-31(20-32-12-11-21-7-3-2-4-8-21,18-26-19-33-28-10-6-5-9-27(26)28)34-30(35)36-29-24-14-22-13-23(16-24)17-25(29)15-22/h2-10,19,22-25,29,32-33H,11-18,20H2,1H3,(H,34,35)/t22-,23+,24-,25+,29?,31? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005828
(2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-y...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)SCCc1ccccc1 |wU:19.20,17.29,wD:21.28,23.26,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:16.17.25:22,(13.87,-8.6,;13.1,-7.26,;11.85,-6.36,;12.01,-4.82,;10.85,-3.82,;11.48,-2.41,;13,-2.54,;14.15,-1.52,;15.6,-1.97,;15.94,-3.5,;14.8,-4.53,;13.34,-4.05,;12.33,-8.6,;10.79,-8.58,;10.04,-7.23,;10.01,-9.89,;8.47,-9.86,;7.07,-9.28,;5.72,-9.76,;5.74,-11.24,;4.53,-12.51,;6.04,-12.09,;7.44,-12.65,;8.47,-11.39,;7.06,-11.72,;6.03,-10.5,;14.63,-7.15,;15.3,-5.77,;15.49,-8.41,;17.01,-8.32,;17.88,-9.59,;19.26,-8.86,;19.31,-7.35,;20.67,-6.62,;21.98,-7.45,;21.92,-8.99,;20.54,-9.7,)| Show InChI InChI=1S/C31H36N2O3S/c1-31(18-25-19-32-27-10-6-5-9-26(25)27,29(34)37-12-11-20-7-3-2-4-8-20)33-30(35)36-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,32H,11-18H2,1H3,(H,33,35)/t21-,22+,23-,24+,28?,31? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005815
(CHEMBL280502 | [1-(2-Hydroxymethyl-3-phenyl-propio...)Show SMILES OCC(Cc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:31.33,35.37,wD:33.41,29.32,TLB:27:28:34:31.36.32,THB:30:29:34:31.36.32,30:31:34:28.29.37,(18.97,-6.87,;17.43,-6.97,;16.76,-8.35,;17.62,-9.63,;19.16,-9.51,;20.02,-10.79,;21.54,-10.68,;22.21,-9.28,;21.34,-8.02,;19.8,-8.13,;15.22,-8.47,;14.54,-9.86,;14.35,-7.2,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;6.81,-9.31,;5.46,-9.8,;5.46,-11.27,;4.28,-12.55,;5.77,-12.14,;7.16,-12.7,;8.19,-11.43,;6.78,-11.77,;5.75,-10.55,)| Show InChI InChI=1S/C31H37N3O4/c35-18-25(11-19-6-2-1-3-7-19)30(36)33-28(16-24-17-32-27-9-5-4-8-26(24)27)34-31(37)38-29-22-12-20-10-21(14-22)15-23(29)13-20/h1-9,17,20-23,25,28-29,32,35H,10-16,18H2,(H,33,36)(H,34,37)/t20-,21+,22-,23+,25?,28?,29? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005812
(CHEMBL285880 | [2-Hydroxy-1-(1H-indol-3-ylmethyl)-...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(O)CCCc1ccccc1 |wU:21.23,wD:19.27,23.24,17.29,TLB:15:16:18:21.25.20,THB:20:21:16:19.24.18,22:23:18:21.25.20,22:21:16.23.24:18,(8.5,-3.74,;7.75,-2.42,;6.5,-1.52,;6.66,.02,;5.48,1.05,;6.12,2.47,;7.65,2.3,;8.79,3.34,;10.26,2.88,;10.59,1.37,;9.43,.32,;7.99,.79,;6.96,-3.74,;5.41,-3.73,;4.67,-2.38,;4.64,-5.05,;3.1,-5.02,;3.1,-6.54,;2.07,-7.82,;.65,-7.25,;-.84,-7.66,;.36,-6.4,;.35,-4.92,;1.7,-4.44,;.65,-5.67,;1.68,-6.89,;9.27,-2.29,;9.95,-.91,;10.14,-3.58,;11.67,-3.47,;12.54,-4.74,;13.9,-4.03,;13.97,-2.49,;15.32,-1.78,;16.64,-2.6,;16.57,-4.15,;15.21,-4.87,)| Show InChI InChI=1S/C32H40N2O3/c1-32(19-26-20-33-28-12-6-5-11-27(26)28,29(35)13-7-10-21-8-3-2-4-9-21)34-31(36)37-30-24-15-22-14-23(17-24)18-25(30)16-22/h2-6,8-9,11-12,20,22-25,29-30,33,35H,7,10,13-19H2,1H3,(H,34,36)/t22-,23+,24-,25+,29?,30?,32? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.23E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005818
(CHEMBL285762 | [1-[(1-Hydroxymethyl-2-phenyl-ethyl...)Show SMILES OCC(Cc1ccccc1)NCC(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:30.39,28.41,34.36,wD:32.35,TLB:26:27:29:32.36.31,THB:31:32:27:30.29.35,33:34:29:32.36.31,33:32:29:27.34.35,(18.97,-6.87,;17.43,-6.97,;16.76,-8.35,;17.62,-9.64,;19.16,-9.51,;20.02,-10.79,;21.54,-10.68,;22.21,-9.28,;21.35,-8.02,;19.81,-8.13,;15.22,-8.47,;14.35,-7.2,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;6.81,-9.31,;5.46,-9.8,;5.46,-11.27,;4.28,-12.55,;5.77,-12.14,;7.16,-12.7,;8.19,-11.43,;6.78,-11.77,;5.75,-10.55,)| Show InChI InChI=1S/C31H39N3O3/c35-19-27(15-20-6-2-1-3-7-20)32-18-26(16-25-17-33-29-9-5-4-8-28(25)29)34-31(36)37-30-23-11-21-10-22(13-23)14-24(30)12-21/h1-9,17,21-24,26-27,30,32-33,35H,10-16,18-19H2,(H,34,36)/t21-,22+,23-,24+,26?,27?,30? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005825
(CHEMBL445094 | N-[2-(Adamantan-2-yloxycarbonylamin...)Show SMILES CC(CN(CCc1ccccc1)C(=O)CCC(O)=O)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:36.45,wD:38.41,34.37,40.44,TLB:32:33:35:38.42.37,THB:39:40:35:38.42.37,39:38:35:33.40.41,37:36:33:38.42.39,(13.58,-7.52,;12.82,-6.21,;14.33,-6.08,;15.2,-7.36,;16.68,-6.91,;17.8,-7.96,;19.28,-7.51,;19.62,-6.02,;21.07,-5.57,;22.22,-6.61,;21.88,-8.12,;20.4,-8.55,;15.2,-8.91,;13.85,-9.67,;16.52,-9.68,;16.52,-11.22,;17.83,-11.99,;17.83,-13.53,;19.18,-11.24,;11.57,-5.31,;11.73,-3.77,;10.57,-2.74,;11.18,-1.33,;12.73,-1.49,;13.85,-.45,;15.33,-.91,;15.65,-2.42,;14.51,-3.47,;13.05,-3,;12.04,-7.52,;10.5,-7.51,;9.74,-6.17,;9.71,-8.83,;8.17,-8.8,;6.79,-8.22,;5.44,-8.68,;5.44,-10.18,;4.25,-11.44,;5.75,-11.02,;7.14,-11.6,;8.17,-10.32,;6.75,-10.67,;5.73,-9.45,)| Show InChI InChI=1S/C35H43N3O5/c1-35(20-28-21-36-30-10-6-5-9-29(28)30,37-34(42)43-33-26-16-24-15-25(18-26)19-27(33)17-24)22-38(31(39)11-12-32(40)41)14-13-23-7-3-2-4-8-23/h2-10,21,24-27,33,36H,11-20,22H2,1H3,(H,37,42)(H,40,41)/t24-,25+,26-,27+,33?,35? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005824
(CHEMBL288037 | [1-[(Acetyl-phenethyl-amino)-methyl...)Show SMILES CC(=O)N(CCc1ccccc1)CC(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:34.42,30.33,wD:32.34,36.38,TLB:28:29:35:32.37.33,THB:31:30:35:32.37.33,31:32:35:29.30.38,(15.35,-10.75,;14.04,-9.98,;12.69,-10.73,;14.04,-8.44,;15.51,-7.99,;16.64,-9.03,;18.11,-8.58,;18.46,-7.09,;19.91,-6.64,;21.06,-7.68,;20.71,-9.19,;19.24,-9.64,;13.17,-7.17,;11.66,-7.29,;12.42,-8.61,;10.41,-6.39,;10.57,-4.85,;9.42,-3.83,;10.02,-2.42,;11.57,-2.57,;12.69,-1.52,;14.17,-1.99,;14.49,-3.51,;13.35,-4.54,;11.89,-4.08,;10.88,-8.6,;9.34,-8.58,;8.58,-7.23,;8.55,-9.9,;7.01,-9.86,;7.01,-11.41,;5.98,-12.68,;4.59,-12.11,;3.09,-12.53,;4.28,-11.24,;4.28,-9.77,;5.63,-9.29,;4.57,-10.53,;5.6,-11.75,)| Show InChI InChI=1S/C33H41N3O3/c1-22(37)36(13-12-23-8-4-3-5-9-23)21-33(2,19-28-20-34-30-11-7-6-10-29(28)30)35-32(38)39-31-26-15-24-14-25(17-26)18-27(31)16-24/h3-11,20,24-27,31,34H,12-19,21H2,1-2H3,(H,35,38)/t24-,25+,26-,27+,31?,33? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005814
(CHEMBL422941 | [1-[(1-Hydroxymethyl-2-phenyl-ethyl...)Show SMILES CN(C(CO)Cc1ccccc1)C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:32.34,36.38,wD:34.42,30.33,TLB:28:29:35:32.37.33,THB:31:30:35:32.37.33,31:32:35:29.30.38,(14.54,-9.86,;15.22,-8.47,;16.76,-8.35,;17.43,-6.97,;18.97,-6.87,;17.62,-9.64,;19.16,-9.51,;20.02,-10.79,;21.54,-10.68,;22.21,-9.28,;21.35,-8.02,;19.81,-8.13,;14.35,-7.2,;15.02,-5.82,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;6.81,-9.31,;5.46,-9.8,;5.46,-11.27,;4.28,-12.55,;5.77,-12.14,;7.16,-12.7,;8.19,-11.43,;6.78,-11.77,;5.75,-10.55,)| Show InChI InChI=1S/C32H39N3O4/c1-35(26(19-36)16-20-7-3-2-4-8-20)31(37)29(17-25-18-33-28-10-6-5-9-27(25)28)34-32(38)39-30-23-12-21-11-22(14-23)15-24(30)13-21/h2-10,18,21-24,26,29-30,33,36H,11-17,19H2,1H3,(H,34,38)/t21-,22+,23-,24+,26?,29?,30? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.46E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005817
(CHEMBL287682 | [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(=S)NCCc1ccccc1 |wU:19.20,17.29,wD:21.28,23.26,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:16.17.25:22,(13.87,-8.61,;13.1,-7.28,;11.85,-6.38,;12.01,-4.84,;10.85,-3.83,;11.49,-2.42,;13,-2.57,;14.15,-1.52,;15.6,-1.99,;15.95,-3.51,;14.8,-4.53,;13.35,-4.07,;12.33,-8.6,;10.79,-8.58,;10.04,-7.23,;10.01,-9.89,;8.47,-9.86,;7.07,-9.28,;5.72,-9.76,;5.74,-11.24,;4.53,-12.52,;6.04,-12.11,;7.44,-12.67,;8.47,-11.4,;7.06,-11.74,;6.03,-10.52,;14.63,-7.17,;15.3,-5.79,;15.5,-8.44,;17.01,-8.32,;17.88,-9.6,;19.26,-8.89,;19.31,-7.36,;20.67,-6.64,;21.99,-7.45,;21.92,-8.99,;20.54,-9.72,)| Show InChI InChI=1S/C31H37N3O2S/c1-31(18-25-19-33-27-10-6-5-9-26(25)27,29(37)32-12-11-20-7-3-2-4-8-20)34-30(35)36-28-23-14-21-13-22(16-23)17-24(28)15-21/h2-10,19,21-24,28,33H,11-18H2,1H3,(H,32,37)(H,34,35)/t21-,22+,23-,24+,28?,31? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005830
(CHEMBL34300 | [1-(1-Hydroxymethyl-2-phenyl-ethylth...)Show SMILES OCC(Cc1ccccc1)NC(=S)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.36,35.39,29.32,wD:31.40,TLB:27:28:30:33.37.32,THB:34:35:30:33.37.32,34:33:28.35.36:30,32:31:28:33.34.37,(18.97,-6.87,;17.43,-6.97,;16.76,-8.35,;17.62,-9.64,;19.16,-9.51,;19.81,-8.13,;21.35,-8.02,;22.21,-9.28,;21.54,-10.68,;20.02,-10.79,;15.22,-8.47,;14.35,-7.2,;15.03,-5.82,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;8.19,-11.43,;7.17,-12.7,;5.77,-12.14,;4.28,-12.55,;5.46,-11.27,;5.46,-9.8,;6.81,-9.31,;5.75,-10.55,;6.78,-11.77,)| Show InChI InChI=1S/C31H37N3O3S/c35-18-25(15-19-6-2-1-3-7-19)33-30(38)28(16-24-17-32-27-9-5-4-8-26(24)27)34-31(36)37-29-22-11-20-10-21(13-22)14-23(29)12-20/h1-9,17,20-23,25,28-29,32,35H,10-16,18H2,(H,33,38)(H,34,36)/t20-,21+,22-,23+,25?,28?,29? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005808
(CHEMBL286664 | N-[2-(Adamantan-2-yloxycarbonylamin...)Show SMILES CCOC(=O)CCC(=O)N(CCc1ccccc1)CC(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:40.48,wD:38.40,42.44,36.49,TLB:34:35:41:38.43.39,THB:37:36:41:38.43.39,37:38:41:35.36.44,39:40:35:38.43.37,(17.79,-15.28,;17.38,-13.79,;15.9,-13.4,;15.51,-11.91,;16.6,-10.82,;14.01,-11.51,;13.62,-10.02,;12.14,-9.61,;11.05,-10.7,;11.73,-8.13,;12.82,-7.04,;14.3,-7.43,;15.39,-6.34,;14.97,-4.86,;16.05,-3.77,;17.54,-4.15,;17.96,-5.63,;16.87,-6.72,;10.86,-6.85,;9.35,-6.98,;10.11,-8.29,;8.1,-6.08,;8.26,-4.54,;7.11,-3.51,;7.72,-2.1,;9.26,-2.26,;10.38,-1.22,;11.86,-1.68,;12.18,-3.19,;11.05,-4.24,;9.58,-3.77,;8.57,-8.29,;7.03,-8.28,;6.27,-6.94,;6.24,-9.6,;4.7,-9.57,;4.7,-11.09,;3.67,-12.37,;2.28,-11.79,;.78,-12.21,;1.97,-10.93,;1.97,-9.45,;3.32,-8.99,;2.26,-10.22,;3.29,-11.44,)| Show InChI InChI=1S/C37H47N3O5/c1-3-44-34(42)14-13-33(41)40(16-15-25-9-5-4-6-10-25)24-37(2,22-30-23-38-32-12-8-7-11-31(30)32)39-36(43)45-35-28-18-26-17-27(20-28)21-29(35)19-26/h4-12,23,26-29,35,38H,3,13-22,24H2,1-2H3,(H,39,43)/t26-,27+,28-,29+,35?,37? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.63E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005819
(2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-y...)Show SMILES OCC(Cc1ccccc1)OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.41,35.39,29.32,wD:31.33,TLB:27:28:34:31.36.32,THB:30:29:34:31.36.32,30:31:34:28.29.37,32:31:28:33.34.37,(18.97,-6.87,;17.43,-6.97,;16.76,-8.35,;17.62,-9.64,;19.16,-9.51,;20.02,-10.79,;21.54,-10.68,;22.21,-9.28,;21.35,-8.02,;19.81,-8.13,;15.22,-8.47,;14.35,-7.2,;15.03,-5.82,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;8.19,-11.43,;7.17,-12.7,;5.77,-12.14,;4.28,-12.55,;5.46,-11.27,;5.46,-9.8,;6.81,-9.31,;5.75,-10.55,;6.78,-11.77,)| Show InChI InChI=1S/C31H36N2O5/c34-18-25(15-19-6-2-1-3-7-19)37-30(35)28(16-24-17-32-27-9-5-4-8-26(24)27)33-31(36)38-29-22-11-20-10-21(13-22)14-23(29)12-20/h1-9,17,20-23,25,28-29,32,34H,10-16,18H2,(H,33,36)/t20-,21+,22-,23+,25?,28?,29? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005812
(CHEMBL285880 | [2-Hydroxy-1-(1H-indol-3-ylmethyl)-...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(O)CCCc1ccccc1 |wU:21.23,wD:19.27,23.24,17.29,TLB:15:16:18:21.25.20,THB:20:21:16:19.24.18,22:23:18:21.25.20,22:21:16.23.24:18,(8.5,-3.74,;7.75,-2.42,;6.5,-1.52,;6.66,.02,;5.48,1.05,;6.12,2.47,;7.65,2.3,;8.79,3.34,;10.26,2.88,;10.59,1.37,;9.43,.32,;7.99,.79,;6.96,-3.74,;5.41,-3.73,;4.67,-2.38,;4.64,-5.05,;3.1,-5.02,;3.1,-6.54,;2.07,-7.82,;.65,-7.25,;-.84,-7.66,;.36,-6.4,;.35,-4.92,;1.7,-4.44,;.65,-5.67,;1.68,-6.89,;9.27,-2.29,;9.95,-.91,;10.14,-3.58,;11.67,-3.47,;12.54,-4.74,;13.9,-4.03,;13.97,-2.49,;15.32,-1.78,;16.64,-2.6,;16.57,-4.15,;15.21,-4.87,)| Show InChI InChI=1S/C32H40N2O3/c1-32(19-26-20-33-28-12-6-5-11-27(26)28,29(35)13-7-10-21-8-3-2-4-9-21)34-31(36)37-30-24-15-22-14-23(17-24)18-25(30)16-22/h2-6,8-9,11-12,20,22-25,29-30,33,35H,7,10,13-19H2,1H3,(H,34,36)/t22-,23+,24-,25+,29?,30?,32? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 1.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005830
(CHEMBL34300 | [1-(1-Hydroxymethyl-2-phenyl-ethylth...)Show SMILES OCC(Cc1ccccc1)NC(=S)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.36,35.39,29.32,wD:31.40,TLB:27:28:30:33.37.32,THB:34:35:30:33.37.32,34:33:28.35.36:30,32:31:28:33.34.37,(18.97,-6.87,;17.43,-6.97,;16.76,-8.35,;17.62,-9.64,;19.16,-9.51,;19.81,-8.13,;21.35,-8.02,;22.21,-9.28,;21.54,-10.68,;20.02,-10.79,;15.22,-8.47,;14.35,-7.2,;15.03,-5.82,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;8.19,-11.43,;7.17,-12.7,;5.77,-12.14,;4.28,-12.55,;5.46,-11.27,;5.46,-9.8,;6.81,-9.31,;5.75,-10.55,;6.78,-11.77,)| Show InChI InChI=1S/C31H37N3O3S/c35-18-25(15-19-6-2-1-3-7-19)33-30(38)28(16-24-17-32-27-9-5-4-8-26(24)27)34-31(36)37-29-22-11-20-10-21(13-22)14-23(29)12-20/h1-9,17,20-23,25,28-29,32,35H,10-16,18H2,(H,33,38)(H,34,36)/t20-,21+,22-,23+,25?,28?,29? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005810
(CHEMBL286442 | [2-(1H-Indol-3-yl)-1-(2-phenethyl-4...)Show SMILES O=C(NC(Cc1c[nH]c2ccccc12)C1CN=C(CCc2ccccc2)S1)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.37,wD:31.41,35.38,29.43,t:18,TLB:27:28:30:33.37.32,THB:34:35:30:33.37.32,34:33:28.35.36:30,32:33:28:31.36.30,(5.05,-4.21,;5.78,-5.56,;7.35,-5.59,;8.13,-4.24,;6.88,-3.35,;7.04,-1.81,;5.88,-.81,;6.49,.6,;8.03,.47,;9.15,1.5,;10.63,1.05,;10.95,-.49,;9.82,-1.52,;8.35,-1.04,;9.6,-4.66,;10.15,-6.07,;11.69,-6.01,;12.07,-4.5,;13.61,-4.41,;14.48,-5.69,;15.85,-4.95,;17.14,-5.78,;18.49,-5.08,;18.57,-3.54,;17.26,-2.71,;15.89,-3.44,;10.79,-3.67,;5.01,-6.88,;3.47,-6.84,;3.47,-8.38,;2.45,-9.63,;1.06,-9.09,;-.44,-9.51,;.75,-8.22,;.75,-6.75,;2.1,-6.27,;1.04,-7.48,;2.06,-8.7,)| Show InChI InChI=1S/C32H37N3O2S/c36-32(37-31-23-13-21-12-22(15-23)16-24(31)14-21)35-28(17-25-18-33-27-9-5-4-8-26(25)27)29-19-34-30(38-29)11-10-20-6-2-1-3-7-20/h1-9,18,21-24,28-29,31,33H,10-17,19H2,(H,35,36)/t21-,22+,23-,24+,28?,29?,31? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005810
(CHEMBL286442 | [2-(1H-Indol-3-yl)-1-(2-phenethyl-4...)Show SMILES O=C(NC(Cc1c[nH]c2ccccc12)C1CN=C(CCc2ccccc2)S1)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.37,wD:31.41,35.38,29.43,t:18,TLB:27:28:30:33.37.32,THB:34:35:30:33.37.32,34:33:28.35.36:30,32:33:28:31.36.30,(5.05,-4.21,;5.78,-5.56,;7.35,-5.59,;8.13,-4.24,;6.88,-3.35,;7.04,-1.81,;5.88,-.81,;6.49,.6,;8.03,.47,;9.15,1.5,;10.63,1.05,;10.95,-.49,;9.82,-1.52,;8.35,-1.04,;9.6,-4.66,;10.15,-6.07,;11.69,-6.01,;12.07,-4.5,;13.61,-4.41,;14.48,-5.69,;15.85,-4.95,;17.14,-5.78,;18.49,-5.08,;18.57,-3.54,;17.26,-2.71,;15.89,-3.44,;10.79,-3.67,;5.01,-6.88,;3.47,-6.84,;3.47,-8.38,;2.45,-9.63,;1.06,-9.09,;-.44,-9.51,;.75,-8.22,;.75,-6.75,;2.1,-6.27,;1.04,-7.48,;2.06,-8.7,)| Show InChI InChI=1S/C32H37N3O2S/c36-32(37-31-23-13-21-12-22(15-23)16-24(31)14-21)35-28(17-25-18-33-27-9-5-4-8-26(25)27)29-19-34-30(38-29)11-10-20-6-2-1-3-7-20/h1-9,18,21-24,28-29,31,33H,10-17,19H2,(H,35,36)/t21-,22+,23-,24+,28?,29?,31? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 2.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005812
(CHEMBL285880 | [2-Hydroxy-1-(1H-indol-3-ylmethyl)-...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(O)CCCc1ccccc1 |wU:21.23,wD:19.27,23.24,17.29,TLB:15:16:18:21.25.20,THB:20:21:16:19.24.18,22:23:18:21.25.20,22:21:16.23.24:18,(8.5,-3.74,;7.75,-2.42,;6.5,-1.52,;6.66,.02,;5.48,1.05,;6.12,2.47,;7.65,2.3,;8.79,3.34,;10.26,2.88,;10.59,1.37,;9.43,.32,;7.99,.79,;6.96,-3.74,;5.41,-3.73,;4.67,-2.38,;4.64,-5.05,;3.1,-5.02,;3.1,-6.54,;2.07,-7.82,;.65,-7.25,;-.84,-7.66,;.36,-6.4,;.35,-4.92,;1.7,-4.44,;.65,-5.67,;1.68,-6.89,;9.27,-2.29,;9.95,-.91,;10.14,-3.58,;11.67,-3.47,;12.54,-4.74,;13.9,-4.03,;13.97,-2.49,;15.32,-1.78,;16.64,-2.6,;16.57,-4.15,;15.21,-4.87,)| Show InChI InChI=1S/C32H40N2O3/c1-32(19-26-20-33-28-12-6-5-11-27(26)28,29(35)13-7-10-21-8-3-2-4-9-21)34-31(36)37-30-24-15-22-14-23(17-24)18-25(30)16-22/h2-6,8-9,11-12,20,22-25,29-30,33,35H,7,10,13-19H2,1H3,(H,34,36)/t22-,23+,24-,25+,29?,30?,32? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005819
(2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol-3-y...)Show SMILES OCC(Cc1ccccc1)OC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:33.41,35.39,29.32,wD:31.33,TLB:27:28:34:31.36.32,THB:30:29:34:31.36.32,30:31:34:28.29.37,32:31:28:33.34.37,(18.97,-6.87,;17.43,-6.97,;16.76,-8.35,;17.62,-9.64,;19.16,-9.51,;20.02,-10.79,;21.54,-10.68,;22.21,-9.28,;21.35,-8.02,;19.81,-8.13,;15.22,-8.47,;14.35,-7.2,;15.03,-5.82,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;8.19,-11.43,;7.17,-12.7,;5.77,-12.14,;4.28,-12.55,;5.46,-11.27,;5.46,-9.8,;6.81,-9.31,;5.75,-10.55,;6.78,-11.77,)| Show InChI InChI=1S/C31H36N2O5/c34-18-25(15-19-6-2-1-3-7-19)37-30(35)28(16-24-17-32-27-9-5-4-8-26(24)27)33-31(36)38-29-22-11-20-10-21(13-22)14-23(29)12-20/h1-9,17,20-23,25,28-29,32,34H,10-16,18H2,(H,33,36)/t20-,21+,22-,23+,25?,28?,29? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.95E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005829
(6-{[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-indol...)Show SMILES CCOC(=O)CCCCCC(=O)N(CCc1ccccc1)CC(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:43.51,39.42,wD:41.43,45.47,TLB:37:38:44:41.46.42,THB:40:39:44:41.46.42,40:41:44:38.39.47,(15.82,-18.44,;14.48,-17.65,;14.5,-16.11,;13.16,-15.34,;11.84,-16.1,;13.18,-13.8,;11.85,-13.02,;11.87,-11.48,;10.53,-10.69,;10.55,-9.15,;9.22,-8.38,;7.87,-9.15,;9.24,-6.84,;10.69,-6.39,;11.81,-7.45,;13.29,-7,;14.41,-8.05,;15.89,-7.61,;16.24,-6.11,;15.11,-5.05,;13.64,-5.5,;8.37,-5.58,;6.84,-5.69,;7.61,-7.02,;5.59,-4.79,;5.75,-3.25,;4.6,-2.25,;5.23,-.83,;6.75,-.97,;7.89,.05,;9.35,-.4,;9.69,-1.92,;8.54,-2.96,;7.09,-2.48,;6.07,-7,;4.53,-7,;3.79,-5.66,;3.75,-8.32,;2.21,-8.29,;2.21,-9.82,;1.19,-11.08,;-.21,-10.52,;-1.72,-10.92,;-.51,-9.67,;-.53,-8.18,;.81,-7.71,;-.22,-8.93,;.8,-10.15,)| Show InChI InChI=1S/C40H53N3O5/c1-3-47-37(45)17-9-5-8-16-36(44)43(19-18-28-12-6-4-7-13-28)27-40(2,25-33-26-41-35-15-11-10-14-34(33)35)42-39(46)48-38-31-21-29-20-30(23-31)24-32(38)22-29/h4,6-7,10-15,26,29-32,38,41H,3,5,8-9,16-25,27H2,1-2H3,(H,42,46)/t29-,30+,31-,32+,38?,40? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005827
(CHEMBL34422 | [1-(1H-Indol-3-ylmethyl)-1-methyl-5-...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)\C=C\CCc1ccccc1 |wU:21.28,wD:19.20,23.24,17.29,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,20:21:16:19.24.18,(13.87,-8.6,;13.1,-7.26,;11.85,-6.36,;12.01,-4.82,;10.85,-3.82,;11.48,-2.41,;13,-2.54,;14.15,-1.52,;15.6,-1.97,;15.94,-3.5,;14.8,-4.53,;13.34,-4.05,;12.33,-8.6,;10.79,-8.58,;10.04,-7.23,;10.01,-9.89,;8.47,-9.86,;8.47,-11.39,;7.44,-12.65,;6.04,-12.09,;4.53,-12.51,;5.74,-11.24,;5.72,-9.76,;7.07,-9.28,;6.03,-10.5,;7.06,-11.72,;14.63,-7.15,;15.49,-8.41,;17.01,-8.32,;17.88,-9.59,;19.26,-8.86,;20.54,-9.7,;21.92,-8.99,;21.98,-7.45,;20.67,-6.62,;19.31,-7.35,)| Show InChI InChI=1S/C32H38N2O2/c1-32(14-8-7-11-22-9-3-2-4-10-22,20-27-21-33-29-13-6-5-12-28(27)29)34-31(35)36-30-25-16-23-15-24(18-25)19-26(30)17-23/h2-6,8-10,12-14,21,23-26,30,33H,7,11,15-20H2,1H3,(H,34,35)/b14-8+/t23-,24+,25-,26+,30?,32? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005808
(CHEMBL286664 | N-[2-(Adamantan-2-yloxycarbonylamin...)Show SMILES CCOC(=O)CCC(=O)N(CCc1ccccc1)CC(C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:40.48,wD:38.40,42.44,36.49,TLB:34:35:41:38.43.39,THB:37:36:41:38.43.39,37:38:41:35.36.44,39:40:35:38.43.37,(17.79,-15.28,;17.38,-13.79,;15.9,-13.4,;15.51,-11.91,;16.6,-10.82,;14.01,-11.51,;13.62,-10.02,;12.14,-9.61,;11.05,-10.7,;11.73,-8.13,;12.82,-7.04,;14.3,-7.43,;15.39,-6.34,;14.97,-4.86,;16.05,-3.77,;17.54,-4.15,;17.96,-5.63,;16.87,-6.72,;10.86,-6.85,;9.35,-6.98,;10.11,-8.29,;8.1,-6.08,;8.26,-4.54,;7.11,-3.51,;7.72,-2.1,;9.26,-2.26,;10.38,-1.22,;11.86,-1.68,;12.18,-3.19,;11.05,-4.24,;9.58,-3.77,;8.57,-8.29,;7.03,-8.28,;6.27,-6.94,;6.24,-9.6,;4.7,-9.57,;4.7,-11.09,;3.67,-12.37,;2.28,-11.79,;.78,-12.21,;1.97,-10.93,;1.97,-9.45,;3.32,-8.99,;2.26,-10.22,;3.29,-11.44,)| Show InChI InChI=1S/C37H47N3O5/c1-3-44-34(42)14-13-33(41)40(16-15-25-9-5-4-6-10-25)24-37(2,22-30-23-38-32-12-8-7-11-31(30)32)39-36(43)45-35-28-18-26-17-27(20-28)21-29(35)19-26/h4-12,23,26-29,35,38H,3,13-22,24H2,1-2H3,(H,39,43)/t26-,27+,28-,29+,35?,37? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.67E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005809
(CHEMBL35555 | [2-(1H-Indol-3-yl)-1-methyl-1-(phene...)Show SMILES CC(CNCCc1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:29.38,wD:31.34,27.30,33.37,TLB:25:26:28:31.35.30,THB:32:33:28:31.35.30,32:31:28:26.33.34,30:29:26:31.35.32,(13.64,-8.63,;12.89,-7.3,;14.42,-7.18,;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,;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,;6.85,-9.3,;5.48,-9.79,;5.51,-11.27,;4.31,-12.55,;5.8,-12.13,;7.21,-12.7,;8.24,-11.43,;6.83,-11.77,;5.8,-10.55,)| Show InChI InChI=1S/C31H39N3O2/c1-31(20-32-12-11-21-7-3-2-4-8-21,18-26-19-33-28-10-6-5-9-27(26)28)34-30(35)36-29-24-14-22-13-23(16-24)17-25(29)15-22/h2-10,19,22-25,29,32-33H,11-18,20H2,1H3,(H,34,35)/t22-,23+,24-,25+,29?,31? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
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 | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005827
(CHEMBL34422 | [1-(1H-Indol-3-ylmethyl)-1-methyl-5-...)Show SMILES CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)\C=C\CCc1ccccc1 |wU:21.28,wD:19.20,23.24,17.29,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,20:21:16:19.24.18,(13.87,-8.6,;13.1,-7.26,;11.85,-6.36,;12.01,-4.82,;10.85,-3.82,;11.48,-2.41,;13,-2.54,;14.15,-1.52,;15.6,-1.97,;15.94,-3.5,;14.8,-4.53,;13.34,-4.05,;12.33,-8.6,;10.79,-8.58,;10.04,-7.23,;10.01,-9.89,;8.47,-9.86,;8.47,-11.39,;7.44,-12.65,;6.04,-12.09,;4.53,-12.51,;5.74,-11.24,;5.72,-9.76,;7.07,-9.28,;6.03,-10.5,;7.06,-11.72,;14.63,-7.15,;15.49,-8.41,;17.01,-8.32,;17.88,-9.59,;19.26,-8.86,;20.54,-9.7,;21.92,-8.99,;21.98,-7.45,;20.67,-6.62,;19.31,-7.35,)| Show InChI InChI=1S/C32H38N2O2/c1-32(14-8-7-11-22-9-3-2-4-10-22,20-27-21-33-29-13-6-5-12-28(27)29)34-31(35)36-30-25-16-23-15-24(18-25)19-26(30)17-23/h2-6,8-10,12-14,21,23-26,30,33H,7,11,15-20H2,1H3,(H,34,35)/b14-8+/t23-,24+,25-,26+,30?,32? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005821
(CHEMBL286093 | [1-(1H-Indol-3-ylmethyl)-1-methyl-5...)Show SMILES CC(CCCCc1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:31.39,wD:29.31,33.35,27.40,TLB:25:26:32:29.34.30,THB:28:27:32:29.34.30,28:29:32:26.27.35,30:31:26:29.34.28,(13.87,-8.6,;13.1,-7.26,;14.63,-7.15,;15.49,-8.41,;17.01,-8.32,;17.88,-9.59,;19.26,-8.86,;20.54,-9.7,;21.92,-8.99,;21.98,-7.45,;20.67,-6.62,;19.31,-7.35,;11.85,-6.36,;12.01,-4.82,;10.85,-3.82,;11.48,-2.41,;13,-2.54,;14.15,-1.52,;15.6,-1.97,;15.94,-3.5,;14.8,-4.53,;13.34,-4.05,;12.33,-8.6,;10.79,-8.58,;10.04,-7.23,;10.01,-9.89,;8.47,-9.86,;8.47,-11.39,;7.44,-12.65,;6.04,-12.09,;4.53,-12.51,;5.74,-11.24,;5.72,-9.76,;7.07,-9.28,;6.03,-10.5,;7.06,-11.72,)| Show InChI InChI=1S/C32H40N2O2/c1-32(14-8-7-11-22-9-3-2-4-10-22,20-27-21-33-29-13-6-5-12-28(27)29)34-31(35)36-30-25-16-23-15-24(18-25)19-26(30)17-23/h2-6,9-10,12-13,21,23-26,30,33H,7-8,11,14-20H2,1H3,(H,34,35)/t23-,24+,25-,26+,30?,32? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(RAT) | BDBM50005818
(CHEMBL285762 | [1-[(1-Hydroxymethyl-2-phenyl-ethyl...)Show SMILES OCC(Cc1ccccc1)NCC(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:30.39,28.41,34.36,wD:32.35,TLB:26:27:29:32.36.31,THB:31:32:27:30.29.35,33:34:29:32.36.31,33:32:29:27.34.35,(18.97,-6.87,;17.43,-6.97,;16.76,-8.35,;17.62,-9.64,;19.16,-9.51,;20.02,-10.79,;21.54,-10.68,;22.21,-9.28,;21.35,-8.02,;19.81,-8.13,;15.22,-8.47,;14.35,-7.2,;12.84,-7.31,;11.59,-6.42,;11.75,-4.88,;10.6,-3.86,;11.21,-2.45,;12.75,-2.6,;13.87,-1.55,;15.35,-2.02,;15.67,-3.54,;14.53,-4.57,;13.07,-4.11,;12.06,-8.63,;10.52,-8.61,;9.76,-7.26,;9.73,-9.92,;8.19,-9.89,;6.81,-9.31,;5.46,-9.8,;5.46,-11.27,;4.28,-12.55,;5.77,-12.14,;7.16,-12.7,;8.19,-11.43,;6.78,-11.77,;5.75,-10.55,)| Show InChI InChI=1S/C31H39N3O3/c35-19-27(15-20-6-2-1-3-7-20)32-18-26(16-25-17-33-29-9-5-4-8-28(25)29)34-31(36)37-30-23-11-21-10-22(13-23)14-24(30)12-21/h1-9,17,21-24,26-27,30,32-33,35H,10-16,18-19H2,(H,34,36)/t21-,22+,23-,24+,26?,27?,30? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.15E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to Cholecystokinin type A receptor in the rat pancreas |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50005821
(CHEMBL286093 | [1-(1H-Indol-3-ylmethyl)-1-methyl-5...)Show SMILES CC(CCCCc1ccccc1)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2 |wU:31.39,wD:29.31,33.35,27.40,TLB:25:26:32:29.34.30,THB:28:27:32:29.34.30,28:29:32:26.27.35,30:31:26:29.34.28,(13.87,-8.6,;13.1,-7.26,;14.63,-7.15,;15.49,-8.41,;17.01,-8.32,;17.88,-9.59,;19.26,-8.86,;20.54,-9.7,;21.92,-8.99,;21.98,-7.45,;20.67,-6.62,;19.31,-7.35,;11.85,-6.36,;12.01,-4.82,;10.85,-3.82,;11.48,-2.41,;13,-2.54,;14.15,-1.52,;15.6,-1.97,;15.94,-3.5,;14.8,-4.53,;13.34,-4.05,;12.33,-8.6,;10.79,-8.58,;10.04,-7.23,;10.01,-9.89,;8.47,-9.86,;8.47,-11.39,;7.44,-12.65,;6.04,-12.09,;4.53,-12.51,;5.74,-11.24,;5.72,-9.76,;7.07,-9.28,;6.03,-10.5,;7.06,-11.72,)| Show InChI InChI=1S/C32H40N2O2/c1-32(14-8-7-11-22-9-3-2-4-10-22,20-27-21-33-29-13-6-5-12-28(27)29)34-31(35)36-30-25-16-23-15-24(18-25)19-26(30)17-23/h2-6,9-10,12-13,21,23-26,30,33H,7-8,11,14-20H2,1H3,(H,34,35)/t23-,24+,25-,26+,30?,32? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Center
Curated by ChEMBL
| Assay Description
Inhibition of [125I]CCK-8 binding to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 35: 1472-84 (1992)
BindingDB Entry DOI: 10.7270/Q2H41S3W |
More data for this
Ligand-Target Pair | |
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