Found 467 hits of ic50 for UniProtKB: P56481 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50451028
(CHEMBL2062146 | PD-149164)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccc(F)cc1 |wD:29.34,1.0,TLB:18:19:23:16.17.22,15:16:23:19.25.20,THB:18:17:23:19.25.20,20:19:16:21.23.22,20:21:16:19.18.25,(7.6,-.86,;7.7,-2.9,;7.7,-4.44,;6.91,-5.77,;7.73,-7.1,;6.7,-8.26,;5.28,-7.66,;3.9,-8.29,;2.62,-7.43,;2.76,-5.89,;4.18,-5.23,;5.41,-6.12,;6.37,-2.13,;5.02,-2.9,;5.02,-4.44,;3.69,-2.12,;2.36,-2.89,;2.36,-4.43,;1.57,-5.75,;.24,-4.98,;-1.39,-5.51,;-.3,-4.43,;1.03,-5.19,;-.3,-2.89,;1.03,-2.11,;.26,-3.44,;9.03,-2.13,;9.03,-.59,;10.36,-2.9,;11.7,-2.12,;11.7,-.58,;13.03,.19,;14.52,.6,;13.03,1.73,;13.03,-2.89,;14.37,-2.12,;15.7,-2.89,;17.03,-2.12,;17.03,-.58,;18.36,.2,;15.68,.19,;14.35,-.59,)| Show InChI InChI=1S/C33H38FN3O5/c1-33(17-24-18-35-28-5-3-2-4-27(24)28,31(40)36-26(16-29(38)39)15-19-6-8-25(34)9-7-19)37-32(41)42-30-22-11-20-10-21(13-22)14-23(30)12-20/h2-9,18,20-23,26,30,35H,10-17H2,1H3,(H,36,40)(H,37,41)(H,38,39)/t20?,21?,22?,23?,26-,30?,33+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.0830 | n/a | n/a | n/a | n/a | n/a | n/a |
CCIPE-Faculte de Pharmacie
Curated by ChEMBL
| Assay Description
Binding affinity towards Cholecystokinin type B receptor in mouse cortex membrane |
Bioorg Med Chem Lett 10: 1245-8 (2000)
BindingDB Entry DOI: 10.7270/Q2NC61RV |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50073729
((R)-3-[(S)-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:1.1,wD:29.33,1.0,TLB:25:24:22:19.18.20,15:16:19.18.25:21.22.23,THB:25:19:22:16.24.23,20:19:16:21.22.23,20:21:16:19.18.25,15:16:22:19.18.20,(11.34,-6.2,;12.13,-7.56,;10.6,-7.56,;9.84,-8.91,;10.31,-10.38,;9.07,-11.27,;7.83,-10.38,;6.34,-10.7,;5.31,-9.55,;5.77,-8.08,;7.29,-7.76,;8.31,-8.92,;13.69,-10.86,;15.23,-10.87,;16.01,-9.52,;16.01,-12.2,;17.86,-12.93,;17.78,-14.48,;19.32,-15.08,;20.87,-14.55,;21.77,-15.87,;20.15,-15.13,;18.69,-15.64,;20.18,-13.68,;19.37,-12.43,;20.96,-12.99,;12.89,-6.23,;12.13,-4.9,;14.44,-6.23,;15.2,-4.88,;16.74,-4.88,;17.5,-6.2,;19.02,-6.2,;16.74,-7.53,;14.42,-3.55,;15.18,-2.23,;14.38,-.91,;15.15,.42,;16.69,.43,;17.46,-.89,;16.7,-2.23,)| 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
Patents
Similars
| Article
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I]- Bolton Hunter CCK-8 binding to Cholecystokinin type B receptor in the mouse cerebral cortex. |
Bioorg Med Chem Lett 3: 2805-2810 (1993)
Article DOI: 10.1016/S0960-894X(01)80769-1
BindingDB Entry DOI: 10.7270/Q29Z94TW |
More data for this
Ligand-Target Pair | |
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
| PubMed
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Half maximal inhibition of specific binding of [125I]Bolton-Hunter CCK-8 to Cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 43: 3505-17 (2000)
BindingDB Entry DOI: 10.7270/Q2FQ9XBZ |
More data for this
Ligand-Target Pair | |
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) | 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
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound measured for half-maximal inhibition of specific binding of [125I]-Bolton Hunter CCK-26-33 to CCK-B receptor in the mouse cerebral cortex. |
Bioorg Med Chem Lett 3: 989-992 (1993)
Article DOI: 10.1016/S0960-894X(00)80273-5
BindingDB Entry DOI: 10.7270/Q2XD11M0 |
More data for this
Ligand-Target Pair | |
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
| n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-CCK-8 to Cholecystokinin type B receptor in the mouse cerebral cortex. |
Bioorg Med Chem Lett 3: 881-884 (1993)
Article DOI: 10.1016/S0960-894X(00)80685-X
BindingDB Entry DOI: 10.7270/Q2WM1DC5 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50033586
(3-[2-[(Adamantane-2-carbonyl)-amino]-3-(1H-indol-3...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CC(O)=O)Cc1ccccc1 |wU:1.0,wD:1.13,28.32,TLB:13:15:22:18.24.19,17:18:22:15.16.21,THB:17:16:22:18.24.19,19:20:15:18.17.24,19:18:15:20.22.21,(4.56,-2.63,;5.88,-3.4,;5.9,-1.86,;6.38,-.4,;5.47,.83,;6.38,2.09,;7.84,1.6,;9.18,2.4,;10.5,1.63,;10.5,.06,;9.18,-.71,;7.84,.06,;4.79,-4.47,;3.3,-4.07,;2.92,-2.58,;2,-4.89,;1.89,-6.4,;2.74,-7.71,;1.17,-6.96,;-.25,-7.42,;-1.11,-6.29,;.39,-6.9,;-.98,-4.78,;.46,-4.31,;1.23,-5.55,;7.22,-4.17,;8.53,-3.4,;7.2,-5.71,;8.53,-6.48,;9.86,-5.69,;11.4,-5.69,;12.17,-4.36,;12.17,-7.03,;8.53,-8.02,;9.86,-8.79,;9.85,-10.33,;11.18,-11.08,;12.51,-10.33,;12.51,-8.79,;11.23,-7.99,)| Show InChI InChI=1S/C33H39N3O4/c1-33(18-25-19-34-28-10-6-5-9-27(25)28,32(40)35-26(17-29(37)38)16-20-7-3-2-4-8-20)36-31(39)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,35,40)(H,36,39)(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
| PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50281984
((S)-3-[(Z)-2-(Adamantan-2-yloxycarbonylamino)-3-(1...)Show SMILES OC(=O)C[C@H](Cc1ccccc1)NC(=O)C(Cc1c[nH]c2ccccc12)=NC(=O)OC1C2CC3CC(C2)CC1C3 |w:26.29,wD:4.12,TLB:36:31:39:35.37.34,36:35:30.31.32:39,THB:34:35:30:33.32.39,34:33:30:35.37.36,29:30:39:35.37.34,(11.61,.81,;12.26,-.59,;13.77,-.8,;11.3,-1.8,;11.86,-3.24,;13.38,-3.45,;14.8,-2.8,;14.94,-1.29,;16.33,-.64,;17.59,-1.52,;17.45,-3.08,;16.05,-3.71,;10.91,-4.43,;9.39,-4.22,;8.81,-2.78,;8.44,-5.41,;6.92,-5.2,;5.97,-6.41,;6.39,-7.9,;5.08,-8.76,;3.87,-7.79,;2.36,-8.04,;1.38,-6.85,;1.92,-5.41,;3.43,-5.15,;4.41,-6.34,;9,-6.85,;10.44,-7.39,;10.51,-8.93,;11.84,-6.74,;13.1,-7.65,;13.07,-9.35,;14.56,-9.93,;15.84,-9.25,;15.19,-10.58,;13.61,-10.04,;12.42,-10.56,;13.63,-8.09,;14.54,-6.92,;15.84,-7.69,)| Show InChI InChI=1S/C32H35N3O5/c36-29(37)17-25(15-19-6-2-1-3-7-19)34-31(38)28(16-24-18-33-27-9-5-4-8-26(24)27)35-32(39)40-30-22-11-20-10-21(13-22)14-23(30)12-20/h1-9,18,20-23,25,30,33H,10-17H2,(H,34,38)(H,36,37)/t20?,21?,22?,23?,25-,30?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound measured for half-maximal inhibition of specific binding of [125I]-Bolton Hunter CCK-26-33 to CCK-A receptor in the rat pancreas. |
Bioorg Med Chem Lett 3: 989-992 (1993)
Article DOI: 10.1016/S0960-894X(00)80273-5
BindingDB Entry DOI: 10.7270/Q2XD11M0 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM21147
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM21147
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
Reactome pathway
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Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM21147
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex |
J Med Chem 35: 2573-81 (1992)
BindingDB Entry DOI: 10.7270/Q2TT4RJ4 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50033600
(Asp-Tyr(SO3H)-Met-Gly-Trp-Met-Asp-Phe-NH2 | CHEMBL...)Show SMILES [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@@](C)(Cc1c[nH]c4ccccc14)C(=O)N[C@@H](CC(O)=O)Cc1ccccc1)[C@@]([H])(C2)C3 |wU:14.16,29.32,41.45,1.0,wD:14.15,6.6,3.3,TLB:8:6:44:1.43.2,8:1:9.6.5:44,10:9:1.8.43:3.5.44,THB:2:3:9:1.8.43,2:1:9:3.5.44,(.78,-3.99,;.75,-5.53,;-.6,-6,;-.58,-7.49,;-2.01,-6.93,;.74,-7.97,;2.13,-7.64,;3.09,-4.97,;2.15,-6.11,;1.12,-8.9,;2.61,-9.32,;3.7,-8.22,;3.41,-6.97,;5.18,-8.64,;6.27,-7.55,;4.94,-6.78,;6.3,-6.01,;6.78,-4.56,;5.87,-3.32,;6.78,-2.06,;8.25,-2.55,;9.57,-1.76,;10.91,-2.53,;10.91,-4.09,;9.57,-4.86,;8.25,-4.09,;7.6,-8.32,;8.93,-7.55,;7.6,-9.86,;8.93,-10.63,;10.25,-9.86,;11.79,-9.85,;12.56,-11.18,;12.56,-8.5,;8.93,-12.17,;10.27,-12.94,;10.25,-14.48,;11.58,-15.25,;12.91,-14.48,;12.91,-12.94,;11.59,-12.17,;-.28,-8.34,;-.37,-9.86,;-.29,-6.75,;-1.79,-8.77,)| 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
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM21147
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]- Bolton-Hunter CCK-26-33 binding to Cholecystokinin type B receptor of mouse cerebral cortex |
Bioorg Med Chem Lett 3: 889-894 (1993)
Article DOI: 10.1016/S0960-894X(00)80687-3
BindingDB Entry DOI: 10.7270/Q28G8M63 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM21147
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
CCIPE-Faculte de Pharmacie
Curated by ChEMBL
| Assay Description
Binding affinity towards Cholecystokinin type B receptor in mouse cortex membrane |
Bioorg Med Chem Lett 10: 1245-8 (2000)
BindingDB Entry DOI: 10.7270/Q2NC61RV |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50281617
(Asp Tyr (OSO3H) Met Gly Trp Met Asp Phe | CHEMBL26...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)24-41(61)62)21-28-12-14-31(15-13-28)75-78(72,73)74)45(67)52-26-40(60)54-38(23-30-22-29-10-6-7-11-33(29)53-30)48(70)56-35(17-19-77-2)46(68)59-39(25-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,22,32,34-39,53H,16-21,23-26,50H2,1-2H3,(H2,51,65)(H,52,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
Reactome pathway
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| CHEMBL
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| Article
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound was tested for the inhibition of specific binding of [125I]-Bolton Hunter CCK-8 to Cholecystokinin type B receptor in mouse cerebral cortex |
Bioorg Med Chem Lett 3: 667-670 (1993)
Article DOI: 10.1016/S0960-894X(01)81250-6
BindingDB Entry DOI: 10.7270/Q2K937G9 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50456331
(CHEMBL2111203)Show SMILES O.CC1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)NC(CO)Cc1ccccc1 Show InChI InChI=1S/C29H37N3O4.H2O/c1-20-10-6-9-15-26(20)36-28(35)32-29(2,17-22-18-30-25-14-8-7-13-24(22)25)27(34)31-23(19-33)16-21-11-4-3-5-12-21;/h3-5,7-8,11-14,18,20,23,26,30,33H,6,9-10,15-17,19H2,1-2H3,(H,31,34)(H,32,35);1H2/t20?,23?,26?,29-;/m1./s1 | PDB
Reactome pathway
KEGG
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| CHEMBL
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PC sid
UniChem
Similars
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| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50456329
(CHEMBL2111261)Show SMILES O.[H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)N[C@H](CC(O)=O)Cc1ccccc1)[C@@]([H])(C2)C3 |wU:15.15,42.45,2.0,wD:15.16,30.32,7.6,4.3,TLB:9:7:45:2.44.3,9:2:10.7.6:45,11:10:2.9.44:4.6.45,THB:3:4:10:2.9.44,3:2:10:4.6.45,(18.02,-11.65,;.78,-3.99,;.75,-5.53,;-.6,-6,;-.58,-7.49,;-2.01,-6.93,;.74,-7.97,;2.13,-7.64,;3.09,-4.97,;2.15,-6.11,;1.12,-8.9,;2.61,-9.32,;3.7,-8.22,;3.41,-6.97,;5.18,-8.64,;6.27,-7.55,;4.94,-6.78,;6.3,-6.01,;6.78,-4.56,;5.87,-3.32,;6.78,-2.06,;8.25,-2.55,;9.57,-1.76,;10.91,-2.53,;10.91,-4.09,;9.57,-4.86,;8.25,-4.09,;7.6,-8.32,;8.93,-7.55,;7.6,-9.86,;8.93,-10.63,;10.25,-9.86,;11.79,-9.85,;12.56,-11.18,;12.56,-8.5,;8.93,-12.17,;10.27,-12.94,;10.25,-14.48,;11.58,-15.25,;12.91,-14.48,;12.91,-12.94,;11.59,-12.17,;-.28,-8.34,;-.37,-9.86,;-.29,-6.75,;-1.79,-8.77,)| Show InChI InChI=1S/C33H39N3O5.H2O/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);1H2/t21-,22+,23-,24+,26-,30?,33+;/m0./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50033587
((1R,2R)-[1-(1-Hydroxymethyl-2-phenyl-ethylcarbamoy...)Show SMILES CC1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CO)Cc1ccccc1 Show InChI InChI=1S/C29H37N3O4/c1-20-10-6-9-15-26(20)36-28(35)32-29(2,17-22-18-30-25-14-8-7-13-24(22)25)27(34)31-23(19-33)16-21-11-4-3-5-12-21/h3-5,7-8,11-14,18,20,23,26,30,33H,6,9-10,15-17,19H2,1-2H3,(H,31,34)(H,32,35)/t20?,23-,26?,29+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50007439
(3-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-ind...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)NC[C@H](NC(=O)C=CC(O)=O)c1ccccc1 |w:35.40,wU:21.28,17.19,1.0,wD:1.13,30.35,19.20,23.24,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,(7.42,-12.42,;7.33,-10.91,;7.31,-9.36,;8.4,-8.29,;7.5,-7.05,;8.4,-5.8,;9.88,-6.28,;11.19,-5.5,;12.54,-6.27,;12.54,-7.82,;11.19,-8.59,;9.88,-7.82,;5.99,-11.7,;4.64,-10.94,;4.64,-9.4,;3.32,-11.71,;1.78,-11.71,;1.07,-13.06,;-.42,-13.72,;-1.41,-12.58,;-2.95,-12.26,;-1.31,-11.68,;-.63,-10.35,;.78,-10.54,;-.7,-11.16,;-.34,-12.73,;8.66,-11.67,;9.99,-10.87,;8.68,-13.21,;10.03,-13.96,;11.36,-13.19,;12.67,-12.38,;14.22,-12.38,;14.22,-10.84,;15.53,-11.61,;16.88,-12.37,;18.22,-11.58,;19.55,-12.35,;18.2,-10.04,;12.69,-13.95,;14.01,-13.16,;15.34,-13.92,;15.37,-15.47,;14.04,-16.24,;12.69,-15.49,)| Show InChI InChI=1S/C35H40N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-12,19,21-22,24-25,29,32,36H,13-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21-,22+,24-,25+,29-,32?,35+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex Cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50033606
(3-{2-[2-[(Adamantane-2-carbonyl)-amino]-3-(1H-indo...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)\C=C\C(O)=O)c1ccccc1 |wU:29.34,1.0,wD:1.13,TLB:21:16:24:20.22.19,21:20:15.16.17:24,THB:13:15:24:20.22.19,19:18:15:20.22.21,19:20:15:18.17.24,(7.9,-1.29,;9.25,-2.06,;9.25,-.52,;9.73,.93,;8.83,2.18,;9.73,3.43,;11.21,2.95,;12.52,3.72,;13.87,2.95,;13.87,1.41,;12.52,.64,;11.21,1.41,;8.16,-3.14,;6.67,-2.74,;6.27,-1.25,;5.26,-3.38,;3.83,-2.58,;4.41,-3.89,;4.14,-5.29,;2.67,-5.55,;1.99,-4.3,;2.32,-2.82,;3.37,-5.11,;4.94,-4.86,;5.59,-6.27,;10.57,-2.83,;11.9,-2.06,;10.57,-4.37,;11.9,-5.14,;11.88,-6.67,;10.56,-7.45,;10.56,-8.99,;11.88,-9.76,;9.22,-9.75,;7.89,-8.98,;6.56,-9.75,;6.54,-11.29,;5.21,-8.98,;13.23,-7.45,;14.58,-6.65,;15.88,-7.45,;15.88,-8.99,;14.54,-9.76,;13.22,-8.99,)| Show InChI InChI=1S/C35H40N4O5/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-33(43)32-24-14-21-13-22(16-24)17-25(32)15-21)34(44)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-12,19,21-22,24-25,29,32,36H,13-18,20H2,1H3,(H,37,44)(H,38,40)(H,39,43)(H,41,42)/b12-11+/t21?,22?,24?,25?,29-,32?,35+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50024321
(3-{2-[2-(3-tert-Butoxycarbonylamino-propionylamino...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50007449
(3-{2-[2-(Adamantan-2-yloxycarbonylamino)-3-(1H-ind...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CNC(=O)C=CC(O)=O)Cc1ccccc1 |w:35.40,wU:19.27,17.29,23.24,29.33,1.0,wD:1.13,21.23,TLB:15:16:18:21.25.20,THB:22:23:18:21.25.20,22:21:18:16.23.24,20:21:16:19.18.24,(21.99,-13.05,;21.9,-11.54,;21.87,-10,;22.97,-8.93,;22.07,-7.68,;22.97,-6.43,;24.44,-6.91,;25.76,-6.13,;27.11,-6.9,;27.11,-8.45,;25.76,-9.23,;24.44,-8.45,;20.56,-12.33,;19.21,-11.57,;19.21,-10.03,;17.89,-12.34,;16.34,-12.33,;15.36,-11.17,;13.94,-10.98,;13.27,-12.31,;11.63,-12.89,;13.16,-13.21,;14.16,-14.35,;15.65,-13.69,;14.23,-13.36,;13.88,-11.79,;23.22,-12.3,;24.56,-11.5,;23.24,-13.84,;24.59,-14.59,;24.6,-16.13,;23.28,-16.92,;23.29,-18.46,;24.63,-19.21,;21.96,-19.24,;20.62,-18.49,;19.3,-19.27,;17.95,-18.5,;19.31,-20.82,;25.92,-13.82,;27.26,-14.58,;28.57,-13.78,;29.9,-14.54,;29.93,-16.1,;28.61,-16.87,;27.26,-16.12,)| Show InChI InChI=1S/C36H42N4O6/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-35(45)46-33-25-14-23-13-24(16-25)17-26(33)15-23)34(44)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-12,20,23-26,28,33,37H,13-19,21H2,1H3,(H,38,41)(H,39,44)(H,40,45)(H,42,43)/t23-,24+,25-,26+,28-,33?,36+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50452998
(CHEMBL2112693)Show SMILES O.[H][C@@](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1[C@@]2([H])C[C@]3([H])C[C@@]([H])(C[C@@]1([H])C3)C2)(NC(=O)CC(O)=O)c1ccccc1 |wU:7.6,24.25,30.31,2.0,wD:2.40,33.35,27.28,TLB:22:23:26:30.36.29,THB:32:33:26:30.36.29,32:30:23.33.35:26,29:30:23:27.35.26,29:27:23:30.36.32,(21.23,-10.12,;15.18,-14.74,;15.19,-16.28,;13.87,-17.07,;12.52,-16.31,;12.51,-14.77,;13.84,-13.99,;11.18,-14,;11.27,-15.53,;11.17,-12.48,;12.26,-11.4,;11.34,-10.15,;12.26,-8.9,;13.71,-9.38,;15.05,-8.61,;16.37,-9.38,;16.37,-10.92,;15.05,-11.69,;13.71,-10.92,;9.85,-14.8,;8.5,-14.03,;8.48,-12.49,;7.17,-14.82,;5.63,-14.8,;4.65,-13.65,;5.37,-12.3,;3.24,-13.45,;2.57,-14.77,;1.55,-13.61,;.91,-15.37,;2.45,-15.67,;1.67,-17,;3.44,-16.82,;4.92,-16.15,;5.98,-17.27,;3.51,-15.83,;3.16,-14.26,;16.52,-15.5,;18.06,-15.5,;18.04,-13.96,;19.38,-14.73,;20.73,-15.48,;22.05,-14.69,;20.74,-17.02,;16.53,-17.05,;17.85,-16.27,;19.19,-17.02,;19.2,-18.56,;17.88,-19.35,;16.53,-18.59,)| Show InChI InChI=1S/C34H40N4O6.H2O/c1-34(17-25-18-35-27-10-6-5-9-26(25)27,38-33(43)44-31-23-12-20-11-21(14-23)15-24(31)13-20)32(42)36-19-28(22-7-3-2-4-8-22)37-29(39)16-30(40)41;/h2-10,18,20-21,23-24,28,31,35H,11-17,19H2,1H3,(H,36,42)(H,37,39)(H,38,43)(H,40,41);1H2/t20-,21+,23-,24+,28-,31?,34+;/m0./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex Cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50024321
(3-{2-[2-(3-tert-Butoxycarbonylamino-propionylamino...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex |
J Med Chem 35: 2573-81 (1992)
BindingDB Entry DOI: 10.7270/Q2TT4RJ4 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50033604
(3-{2-[2-[(Adamantane-2-carbonyl)-amino]-3-(1H-indo...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N[C@H](CNC(=O)\C=C\C(O)=O)Cc1ccccc1 |wU:1.0,wD:1.13,28.32,TLB:13:15:17:20.21.19,THB:22:23:17:20.21.19,22:20:17:15.23.24,19:18:15:20.21.22,19:20:15:18.17.24,(4.56,-2.64,;5.89,-3.41,;5.91,-1.86,;6.4,-.4,;5.48,.84,;6.4,2.09,;7.85,1.61,;9.19,2.4,;10.52,1.63,;10.52,.06,;9.19,-.71,;7.85,.06,;4.8,-4.48,;3.31,-4.08,;2.92,-2.58,;2,-4.9,;.46,-4.32,;-.99,-4.79,;-1.11,-6.3,;-.25,-7.44,;1.17,-6.98,;1.23,-5.56,;2.74,-7.73,;1.9,-6.41,;.39,-6.91,;7.23,-4.18,;8.55,-3.41,;7.21,-5.72,;8.55,-6.49,;9.88,-5.7,;11.22,-6.46,;12.55,-5.69,;12.54,-4.15,;13.89,-6.43,;15.21,-5.66,;16.56,-6.41,;17.9,-5.62,;16.59,-7.95,;8.55,-8.04,;9.88,-8.81,;11.25,-8,;12.54,-8.81,;12.54,-10.35,;11.2,-11.1,;9.87,-10.35,)| Show InChI InChI=1S/C36H42N4O5/c1-36(19-27-20-37-30-10-6-5-9-29(27)30,40-34(44)33-25-14-23-13-24(16-25)17-26(33)15-23)35(45)39-28(18-22-7-3-2-4-8-22)21-38-31(41)11-12-32(42)43/h2-12,20,23-26,28,33,37H,13-19,21H2,1H3,(H,38,41)(H,39,45)(H,40,44)(H,42,43)/b12-11+/t23?,24?,25?,26?,28-,33?,36+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50024321
(3-{2-[2-(3-tert-Butoxycarbonylamino-propionylamino...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C37H49N7O9S/c1-37(2,3)53-36(52)39-16-14-30(45)41-28(19-23-21-40-25-13-9-8-12-24(23)25)34(50)42-26(15-17-54-4)33(49)44-29(20-31(46)47)35(51)43-27(32(38)48)18-22-10-6-5-7-11-22/h5-13,21,26-29,40H,14-20H2,1-4H3,(H2,38,48)(H,39,52)(H,41,45)(H,42,50)(H,43,51)(H,44,49)(H,46,47)/t26-,27-,28-,29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
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) | BDBM50063665
(CHEMBL9203 | N-(3-nitrophenyl)-2-[3,4-dihydro-3-[3...)Show SMILES CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2cccc(c2)[N+]([O-])=O)nc2ccccc2c1=O Show InChI InChI=1S/C24H22N6O5/c1-15(2)35-19-10-6-8-17(14-19)29-22(31)20-11-3-4-12-21(20)26-23(29)27-28-24(32)25-16-7-5-9-18(13-16)30(33)34/h3-15H,1-2H3,(H,26,27)(H2,25,28,32) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand |
J Med Chem 41: 1042-9 (1998)
Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50033592
(3-{2-[3-(1H-Indol-3-yl)-2-methyl-2-(2-methyl-cyclo...)Show SMILES C[C@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)C=CC(O)=O)Cc1ccccc1 |w:32.35| Show InChI InChI=1S/C33H40N4O6/c1-22-10-6-9-15-28(22)43-32(42)37-33(2,19-24-20-34-27-14-8-7-13-26(24)27)31(41)36-25(18-23-11-4-3-5-12-23)21-35-29(38)16-17-30(39)40/h3-5,7-8,11-14,16-17,20,22,25,28,34H,6,9-10,15,18-19,21H2,1-2H3,(H,35,38)(H,36,41)(H,37,42)(H,39,40)/t22-,25-,28?,33+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
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UniChem
Similars
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| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50063640
(CHEMBL9405 | N-(3-cyanobenzene)-2-[3,4-dihydro-3-[...)Show SMILES CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2cccc(c2)C#N)nc2ccccc2c1=O Show InChI InChI=1S/C25H22N6O3/c1-16(2)34-20-10-6-9-19(14-20)31-23(32)21-11-3-4-12-22(21)28-24(31)29-30-25(33)27-18-8-5-7-17(13-18)15-26/h3-14,16H,1-2H3,(H,28,29)(H2,27,30,33) | PDB
Reactome pathway
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UniProtKB/SwissProt
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| CHEMBL
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Patents
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PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand |
J Med Chem 41: 1042-9 (1998)
Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50455595
(CHEMBL2112338)Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCS([O-])(=O)=O)c1ccccc1 |TLB:18:19:23:16.17.22,15:16:23:19.25.20,THB:20:19:16:21.23.22,20:21:16:19.18.25,18:17:23:19.25.20| Show InChI InChI=1S/C34H42N4O7S.Na/c1-34(18-26-19-35-28-10-6-5-9-27(26)28,38-33(41)45-31-24-14-21-13-22(16-24)17-25(31)15-21)32(40)36-20-29(23-7-3-2-4-8-23)37-30(39)11-12-46(42,43)44;/h2-10,19,21-22,24-25,29,31,35H,11-18,20H2,1H3,(H,36,40)(H,37,39)(H,38,41)(H,42,43,44);/q;+1/p-1/t21?,22?,24?,25?,29-,31?,34+;/m1./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex |
J Med Chem 35: 2573-81 (1992)
BindingDB Entry DOI: 10.7270/Q2TT4RJ4 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM21147
((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1 | PDB
Reactome pathway
KEGG
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CHEMBL
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MCE
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Similars
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| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institute for Medical Sciences
Curated by ChEMBL
| Assay Description
In vitro binding affinity against Cholecystokinin type B receptor in mouse cerebral cortical membranes using [125I]Tyr(SO3H)27]-CCK-8 binding assay |
Bioorg Med Chem Lett 11: 705-9 (2001)
BindingDB Entry DOI: 10.7270/Q22V2GNX |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50063630
(CHEMBL9188 | N-(3-ethylesterbenzoicacid)-2-[3,4-di...)Show SMILES CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(OC(C)C)c2)c1 Show InChI InChI=1S/C27H27N5O5/c1-4-36-25(34)18-9-7-10-19(15-18)28-27(35)31-30-26-29-23-14-6-5-13-22(23)24(33)32(26)20-11-8-12-21(16-20)37-17(2)3/h5-17H,4H2,1-3H3,(H,29,30)(H2,28,31,35) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
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Patents
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PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand |
J Med Chem 41: 1042-9 (1998)
Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3 |
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
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UniChem
Similars
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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) | 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
| PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Instituto de Química Médica (CSIC)
Curated by ChEMBL
| Assay Description
Inhibition of [3H]-propionyl-CCK-8 binding to mouse cerebral cortex membrane cholecystokinin-B (CCK-B) receptor |
Bioorg Med Chem Lett 9: 43-8 (1999)
BindingDB Entry DOI: 10.7270/Q2XP743J |
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
| PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]-Bolton hunter CCK-8 radioligand in the mouse cerebral cortex |
J Med Chem 35: 2573-81 (1992)
BindingDB Entry DOI: 10.7270/Q2TT4RJ4 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50033598
(CHEMBL345511 | N-{2-[2-[(Adamantane-2-carbonyl)-am...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |wU:29.34,1.0,wD:1.13,TLB:24:23:21:18.17.19,THB:13:15:21:18.17.19,24:18:21:15.23.22,19:20:15:18.17.24,19:18:15:20.21.22,(7.9,-1.29,;9.25,-2.06,;9.25,-.52,;9.73,.93,;8.83,2.18,;9.73,3.43,;11.21,2.95,;12.52,3.72,;13.87,2.95,;13.87,1.41,;12.52,.64,;11.21,1.41,;8.16,-3.14,;6.67,-2.74,;6.27,-1.25,;5.26,-3.38,;4.94,-4.86,;3.37,-5.11,;1.99,-4.3,;2.67,-5.55,;4.14,-5.29,;5.59,-6.27,;4.41,-3.89,;3.83,-2.58,;2.32,-2.82,;10.57,-2.83,;11.9,-2.06,;10.57,-4.37,;11.9,-5.14,;11.88,-6.67,;10.56,-7.45,;10.56,-8.99,;11.88,-9.76,;9.22,-9.75,;7.89,-8.98,;6.56,-9.75,;6.54,-11.29,;5.21,-8.98,;13.23,-7.45,;14.58,-6.65,;15.88,-7.45,;15.88,-8.99,;14.54,-9.76,;13.22,-8.99,)| Show InChI InChI=1S/C35H42N4O5/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-33(43)32-24-14-21-13-22(16-24)17-25(32)15-21)34(44)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,37,44)(H,38,40)(H,39,43)(H,41,42)/t21?,22?,24?,25?,29-,32?,35+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]Bolton-Hunter labeled CCK-8 to cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 36: 552-65 (1993)
BindingDB Entry DOI: 10.7270/Q2JM2B88 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50455596
(CHEMBL2112336)Show SMILES [H][C@](CNC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)(NC(=O)C[S+]([O-])c1nc[nH]n1)c1ccccc1 |wU:1.36,wD:6.7,1.0,TLB:21:22:24:27.28.26,THB:26:25:22:27.29.28,26:27:22:25.24.31,29:30:24:27.28.26,29:27:24:22.30.31,(5.59,-7.16,;4.27,-7.93,;2.94,-8.7,;1.6,-7.94,;.28,-8.71,;.28,-10.24,;-1.05,-7.94,;-1.06,-9.47,;-1.04,-6.39,;-1.93,-5.12,;-3.45,-5.35,;-4.13,-3.97,;-3.05,-2.89,;-3.1,-1.35,;-1.81,-.52,;-.44,-1.24,;-.37,-2.78,;-1.67,-3.6,;-2.39,-8.69,;-3.72,-7.93,;-3.71,-6.39,;-5.07,-8.67,;-6.39,-7.9,;-6.39,-6.36,;-7.71,-5.57,;-9.05,-6.32,;-11.02,-6.39,;-9.68,-7.16,;-7.82,-7.41,;-9.28,-8.64,;-7.74,-8.65,;-9.07,-7.87,;4.26,-6.39,;5.6,-5.61,;5.58,-4.07,;6.93,-6.37,;8.27,-5.59,;8.27,-4.05,;9.61,-6.36,;9.79,-7.88,;11.3,-8.21,;12.07,-6.85,;11.03,-5.72,;5.6,-8.69,;5.61,-10.24,;6.94,-11.01,;8.28,-10.22,;8.26,-8.67,;6.93,-7.92,)| Show InChI InChI=1S/C35H41N7O5S/c1-35(16-26-17-36-28-10-6-5-9-27(26)28,41-34(45)47-31-24-12-21-11-22(14-24)15-25(31)13-21)32(44)37-18-29(23-7-3-2-4-8-23)40-30(43)19-48(46)33-38-20-39-42-33/h2-10,17,20-22,24-25,29,31,36H,11-16,18-19H2,1H3,(H,37,44)(H,40,43)(H,41,45)(H,38,39,42)/t21?,22?,24?,25?,29-,31?,35+,48?/m1/s1 | PDB
Reactome pathway
KEGG
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Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Evaluated for inhibition of CCK-B receptor by displacing [125I]bolton hunter CCK-8 radioligand in the mouse cerebral cortex |
J Med Chem 35: 2573-81 (1992)
BindingDB Entry DOI: 10.7270/Q2TT4RJ4 |
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
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Parke-Davis Research Unit
Curated by ChEMBL
| Assay Description
Half-maximal inhibition of specific binding of [125I]bolton hunter CCK-8 to mouse cerebral cortex Cholecystokinin type B receptor |
J Med Chem 34: 404-14 (1991)
BindingDB Entry DOI: 10.7270/Q2RJ4K3V |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50449787
(CHEMBL2062154 | PD-134308)Show SMILES [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C(OC(=O)N[C@](C)(Cc1c[nH]c4ccccc14)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1)[C@@]([H])(C2)C3 |wU:30.41,14.15,45.49,3.3,wD:6.6,1.0,TLB:5:3:47:9.6.8,10:9:47:3.48.2,THB:5:6:47:3.48.2,10:9:1.47.8:3.5.48,2:3:9:1.47.8,2:1:9:3.5.48,(-14.99,-2.1,;-13.56,-2.66,;-14.77,-3.94,;-13.26,-3.53,;-13.35,-5.06,;-11.86,-4.09,;-10.83,-2.82,;-9.38,-3.33,;-12.24,-3.16,;-10.83,-1.28,;-9.29,-1.31,;-8.5,.01,;-9.25,1.36,;-6.96,-.01,;-6.19,1.3,;-5.42,-.02,;-7.44,2.2,;-7.28,3.74,;-8.44,4.76,;-7.81,6.18,;-6.29,6.03,;-5.14,7.07,;-3.69,6.6,;-3.34,5.08,;-4.49,4.06,;-5.94,4.52,;-4.66,1.42,;-3.99,2.8,;-3.79,.15,;-2.27,.27,;-1.4,-1.02,;-2.08,-2.4,;-1.22,-3.69,;.32,-3.58,;-1.9,-5.07,;-3.43,-5.16,;-4.1,-6.57,;-5.64,-6.67,;-3.25,-7.83,;.14,-.91,;.99,-2.2,;2.51,-2.08,;3.19,-.7,;2.32,.59,;.8,.47,;-12.23,-.7,;-12.2,.82,;-13.58,-1.18,;-13.27,-1.94,)| Show InChI InChI=1S/C35H42N4O6/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42)/t21-,22+,24-,25+,29-,32?,35+/m0/s1 | PDB
Reactome pathway
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of binding of [125I]- Bolton-Hunter labeled CCK-8 to CCK-B receptor in the mouse cerebral cortex |
Bioorg Med Chem Lett 7: 2009-2014 (1997)
Article DOI: 10.1016/S0960-894X(97)00356-9
BindingDB Entry DOI: 10.7270/Q2DJ5FM6 |
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
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-CCK-8 to Cholecystokinin type B receptor in the mouse cerebral cortex. |
Bioorg Med Chem Lett 3: 881-884 (1993)
Article DOI: 10.1016/S0960-894X(00)80685-X
BindingDB Entry DOI: 10.7270/Q2WM1DC5 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50449747
(CHEMBL2304062)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:3.3,6.6,14.16,wD:45.49,1.0,30.41,TLB:8:6:48:1.47.2,8:1:48:9.6.5,THB:10:9:48:1.47.2,2:3:9:1.8.47,2:1:9:3.48.5,(9.27,-3.28,;10.78,-3.02,;9.99,-1.76,;10.9,-.65,;10.13,.67,;10.64,-2.25,;11.48,-3.6,;12.2,-4.96,;10.41,-4.75,;12.97,-3.35,;13.98,-4.49,;15.5,-4.18,;15.98,-2.72,;16.54,-5.32,;18.04,-4.99,;19.38,-4.22,;18.9,-2.94,;18.2,-1.17,;19.34,-.14,;18.71,1.27,;17.18,1.11,;16.04,2.14,;14.57,1.66,;14.25,.16,;15.4,-.87,;16.86,-.4,;19.08,-6.13,;18.61,-7.6,;20.59,-5.8,;21.62,-6.94,;23.13,-6.61,;24.17,-7.75,;25.67,-7.42,;26.14,-5.95,;26.71,-8.56,;28.21,-8.23,;29.25,-9.37,;30.75,-9.04,;28.78,-10.83,;23.59,-5.14,;25.1,-4.81,;25.57,-3.35,;24.53,-2.21,;23.02,-2.54,;22.56,-4,;13.18,-1.74,;14.68,-1.42,;12.16,-2.75,;12.39,-.42,)| 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
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Similars
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I]- Bolton Hunter CCK-8 binding to Cholecystokinin type B receptor in the mouse cerebral cortex. |
Bioorg Med Chem Lett 3: 2805-2810 (1993)
Article DOI: 10.1016/S0960-894X(01)80769-1
BindingDB Entry DOI: 10.7270/Q29Z94TW |
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
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| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Compound measured for half-maximal inhibition of specific binding of [125I]-Bolton Hunter CCK-26-33 to CCK-B receptor in the mouse cerebral cortex. |
Bioorg Med Chem Lett 3: 989-992 (1993)
Article DOI: 10.1016/S0960-894X(00)80273-5
BindingDB Entry DOI: 10.7270/Q2XD11M0 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50449627
(CHEMBL2021374)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCC(NC(=O)CCC(O)=O)c1ccccc1 |r,wU:1.1,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,(-14.19,2.72,;-13.77,4.2,;-12.46,3.43,;-12.47,1.89,;-13.72,1,;-13.26,-.48,;-11.72,-.48,;-10.69,-1.62,;-9.18,-1.32,;-8.7,.15,;-9.72,1.29,;-11.23,.99,;-15.28,4.5,;-16.31,3.34,;-15.81,1.89,;-17.82,3.65,;-18.85,2.5,;-20.33,2.7,;-21.49,1.92,;-21.1,.48,;-21.9,-1.04,;-20.57,-.27,;-21,1.25,;-19.08,-.45,;-18.43,1.02,;-19.69,.34,;-12.76,5.36,;-13.26,6.81,;-11.25,5.05,;-10.24,6.2,;-8.71,5.9,;-8.21,4.46,;-6.7,4.14,;-6.22,2.69,;-5.69,5.29,;-4.17,5,;-3.17,6.16,;-1.64,5.85,;-3.65,7.62,;-7.7,7.06,;-8.19,8.54,;-7.18,9.67,;-5.65,9.37,;-5.16,7.91,;-6.19,6.75,)| 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
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TBA
Curated by ChEMBL
| Assay Description
Evaluated for in vitro binding affinity towards cholecystokinin-B (CCK-B) receptor in mouse cerebral cortex using [125I]bolton hunter CCK-26-33 as ra... |
Bioorg Med Chem Lett 2: 403-406 (1992)
Article DOI: 10.1016/S0960-894X(00)80156-0
BindingDB Entry DOI: 10.7270/Q27H1JHP |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50422043
(CHEMBL2062144 | CI-988 | PD-137342)Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@H](NC(=O)CCC(O)=O)c1ccccc1 |wU:1.1,30.35,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,(10.16,-4.53,;9.27,-6.4,;8.87,-4.92,;9.36,-3.46,;8.45,-2.22,;9.36,-.96,;10.83,-1.45,;12.16,-.66,;13.49,-1.43,;13.49,-2.99,;12.16,-3.76,;10.83,-2.99,;7.79,-6,;6.7,-7.08,;7.08,-8.57,;5.2,-6.68,;4.09,-7.77,;2.66,-7.33,;1.36,-7.98,;1.54,-9.46,;.49,-10.86,;1.94,-10.27,;1.75,-8.69,;3.41,-10.67,;4.27,-9.29,;2.92,-9.78,;10.76,-6.8,;11.85,-5.72,;11.15,-8.29,;12.74,-8.08,;14.23,-8.48,;14.61,-9.96,;14.21,-11.44,;12.72,-11.83,;15.28,-12.54,;14.87,-14.03,;15.95,-15.13,;17.44,-14.75,;15.54,-16.61,;14.22,-6.94,;12.88,-6.17,;12.87,-4.64,;14.2,-3.86,;15.54,-4.62,;15.55,-6.17,)| 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
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| | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
The concentration (nM) producing half-maximal inhibition of specific binding of [1251] Bolton Hunter CCK-8 to CCK receptors in the mouse cerebral cor... |
Bioorg Med Chem Lett 2: 45-8 (1992)
BindingDB Entry DOI: 10.7270/Q2K0746W |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50063616
(CHEMBL8890 | N-(3-tert-butylbenzoicacid)-2-[3,4-di...)Show SMILES CC(C)Oc1cccc(c1)-n1c(NNC(=O)Nc2cccc(c2)C(=O)OC(C)(C)C)nc2ccccc2c1=O Show InChI InChI=1S/C29H31N5O5/c1-18(2)38-22-13-9-12-21(17-22)34-25(35)23-14-6-7-15-24(23)31-27(34)32-33-28(37)30-20-11-8-10-19(16-20)26(36)39-29(3,4)5/h6-18H,1-5H3,(H,31,32)(H2,30,33,37) | PDB
Reactome pathway
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| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand |
J Med Chem 41: 1042-9 (1998)
Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM81962
(S-L-365,260)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C24H22N4O2/c1-16-9-8-12-18(15-16)25-24(30)27-22-23(29)28(2)20-14-7-6-13-19(20)21(26-22)17-10-4-3-5-11-17/h3-15,22H,1-2H3,(H2,25,27,30)/t22-/m0/s1 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
James Black Foundation
Curated by ChEMBL
| Assay Description
Half maximal inhibition of specific binding of [125I]Bolton-Hunter CCK-8 to Cholecystokinin type B receptor in the mouse cerebral cortex |
J Med Chem 43: 3505-17 (2000)
BindingDB Entry DOI: 10.7270/Q2FQ9XBZ |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50281284
(CHEMBL433384 | [[(S)-2-(Adamantan-2-yloxycarbonyla...)Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N(CCc1ccccn1)CC(O)=O |wU:19.20,1.0,wD:1.13,21.28,17.19,23.24,THB:18:19:22:16.17.25,20:21:16:19.18.24,20:19:16:21.22.25,(6.89,-3.2,;6.89,-4.74,;6.89,-6.28,;6.42,-7.75,;7.33,-8.98,;6.42,-10.24,;4.95,-9.76,;3.62,-10.55,;2.29,-9.78,;2.29,-8.22,;3.62,-7.45,;4.95,-8.22,;5.4,-5.13,;4.35,-3.99,;4.81,-2.52,;2.85,-4.3,;1.83,-3.16,;2.04,-1.54,;1.01,-2.57,;-.37,-2.83,;-1.16,-1.56,;-.25,-.47,;-.51,-2.05,;.33,-3.41,;-.74,-4.55,;1.24,-.23,;8.38,-4.34,;8.78,-2.85,;9.46,-5.42,;10.95,-5.02,;12.05,-6.11,;13.52,-5.72,;14.61,-6.81,;16.08,-6.42,;16.48,-4.95,;15.41,-3.85,;13.91,-4.25,;9.06,-6.91,;10.16,-8,;11.7,-7.85,;9.53,-9.4,)| Show InChI InChI=1S/C32H38N4O5/c1-32(17-24-18-34-27-8-3-2-7-26(24)27,30(39)36(19-28(37)38)11-9-25-6-4-5-10-33-25)35-31(40)41-29-22-13-20-12-21(15-22)16-23(29)14-20/h2-8,10,18,20-23,29,34H,9,11-17,19H2,1H3,(H,35,40)(H,37,38)/t20-,21+,22-,23+,29?,32-/m0/s1 | PDB
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| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
In vitro inhibition of [125I]- Bolton Hunter CCK-8 binding to Cholecystokinin type B receptor in the mouse cerebral cortex. |
Bioorg Med Chem Lett 3: 2805-2810 (1993)
Article DOI: 10.1016/S0960-894X(01)80769-1
BindingDB Entry DOI: 10.7270/Q29Z94TW |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50455598
(CHEMBL2112335)Show SMILES C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CCn1nn[nH]c1=S)c1ccccc1 |TLB:25:24:22:19.18.20,THB:15:16:22:19.18.20,20:19:16:21.23.22,20:21:16:19.18.25,25:19:16.24.23:22| Show InChI InChI=1S/C35H42N8O4S/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(46)47-31-24-14-21-13-22(16-24)17-25(31)15-21)32(45)37-20-29(23-7-3-2-4-8-23)38-30(44)11-12-43-33(48)40-41-42-43/h2-10,19,21-22,24-25,29,31,36H,11-18,20H2,1H3,(H,37,45)(H,38,44)(H,39,46)(H,40,42,48)/t21?,22?,24?,25?,29-,31?,35+/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Neuroscience Research Centre
Curated by ChEMBL
| Assay Description
Evaluated for inhibition of CCK-B receptor by displacing [125I]bolton hunter CCK-8 radioligand in the mouse cerebral cortex |
J Med Chem 35: 2573-81 (1992)
BindingDB Entry DOI: 10.7270/Q2TT4RJ4 |
More data for this
Ligand-Target Pair | |
Gastrin/cholecystokinin type B receptor
(MOUSE) | BDBM50063666
(CHEMBL266557 | N-(3-ethylesterbenzoicacid)-2-[3,4-...)Show SMILES CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(Cl)c(Cl)c2)c1 Show InChI InChI=1S/C24H19Cl2N5O4/c1-2-35-22(33)14-6-5-7-15(12-14)27-24(34)30-29-23-28-20-9-4-3-8-17(20)21(32)31(23)16-10-11-18(25)19(26)13-16/h3-13H,2H2,1H3,(H,28,29)(H2,27,30,34) | PDB
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| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Parke-Davis Pharmaceutical Research
Curated by ChEMBL
| Assay Description
Binding affinity towards Cholecystokinin type B receptor (CCK-B) receptor in mouse cerebral cortex using [125I]-Bolton Hunter CCK-8 as radioligand |
J Med Chem 41: 1042-9 (1998)
Article DOI: 10.1021/jm970373j
BindingDB Entry DOI: 10.7270/Q2TQ60N3 |
More data for this
Ligand-Target Pair | |
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