Found 8 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 |
|---|
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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
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) | 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
| Article
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
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 CCK26-33 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 | |
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
| Article
| n/a | n/a | 780 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for in vitro binding affinity to cholecystokinin-A (CCK-A) receptor in homogenized rat pancreas using [125I]-Bolton hunter CCK26-33 as radi... |
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) | BDBM50007437
(CHEMBL423329 | [1-(1-Hydroxymethyl-2-phenyl-ethylc...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CO)Cc1ccccc1 |wU:21.28,23.26,17.19,29.33,1.0,wD:1.13,19.20,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,20:19:16:21.22.25,(14.92,-9.95,;14.82,-8.44,;14.8,-6.9,;15.89,-5.82,;14.99,-4.57,;15.89,-3.32,;17.37,-3.8,;18.68,-3.03,;20.03,-3.8,;20.03,-5.34,;18.68,-6.11,;17.37,-5.34,;13.49,-9.22,;12.14,-8.45,;12.14,-6.91,;10.82,-9.24,;9.27,-9.22,;8.58,-10.57,;7.09,-11.24,;6.1,-10.08,;4.57,-9.79,;6.2,-9.19,;6.88,-7.87,;8.29,-8.06,;6.81,-8.67,;7.17,-10.25,;16.15,-9.19,;17.49,-8.41,;16.17,-10.73,;17.52,-11.49,;17.53,-13.03,;16.2,-13.81,;18.84,-10.69,;20.18,-11.46,;20.18,-13,;21.53,-13.76,;22.85,-12.97,;22.82,-11.43,;21.5,-10.68,)| Show InChI InChI=1S/C32H39N3O4/c1-32(17-25-18-33-28-10-6-5-9-27(25)28,30(37)34-26(19-36)16-20-7-3-2-4-8-20)35-31(38)39-29-23-12-21-11-22(14-23)15-24(29)13-21/h2-10,18,21-24,26,29,33,36H,11-17,19H2,1H3,(H,34,37)(H,35,38)/t21-,22+,23-,24+,26-,29?,32+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 852 | n/a | n/a | n/a | n/a | n/a | n/a |
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 CCK26-33 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 | |
Cholecystokinin receptor type A
(RAT) | BDBM50280444
(2-(1-Hydroxymethyl-2-phenyl-ethylcarbamoyl)-2-(1H-...)Show SMILES OCC(Cc1ccccc1)NC(=O)C1(Cc2c[nH]c3ccccc23)CCCN1C(=O)OC1C2CC3CC(C2)CC1C3 |TLB:37:32:40:36.38.35,37:36:31.32.33:40,THB:30:31:40:36.38.35,35:36:31:34.33.40,35:34:31:36.37.38,(9.97,-.12,;8.68,-.96,;8.78,-2.5,;10.15,-3.19,;11.43,-2.34,;12.81,-3.03,;14.09,-2.18,;14,-.64,;12.62,.04,;11.34,-.8,;7.49,-3.36,;6.12,-2.67,;6.05,-1.52,;4.84,-3.52,;4.84,-1.98,;5.23,-.49,;3.86,.23,;4.09,1.74,;5.63,1.97,;6.47,3.24,;8,3.16,;8.68,1.77,;7.84,.51,;6.3,.6,;4.6,-5.05,;3.09,-5.29,;2.39,-3.93,;3.46,-2.83,;2.12,-2.05,;.8,-2.84,;2.08,-.51,;.75,.23,;.61,1.74,;-.97,2.09,;-2.37,1.34,;-3.44,2.49,;-1.75,2.02,;-.44,2.71,;-1.58,.61,;-.62,-.47,;-2.22,-.16,)| Show InChI InChI=1S/C34H41N3O4/c38-21-28(18-22-7-2-1-3-8-22)36-32(39)34(19-27-20-35-30-10-5-4-9-29(27)30)11-6-12-37(34)33(40)41-31-25-14-23-13-24(16-25)17-26(31)15-23/h1-5,7-10,20,23-26,28,31,35,38H,6,11-19,21H2,(H,36,39) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.05E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for in vitro binding affinity to cholecystokinin-A (CCK-A) receptor in homogenized rat pancreas using [125I]-Bolton hunter CCK26-33 as radi... |
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 | |
Cholecystokinin receptor type A
(RAT) | BDBM50007437
(CHEMBL423329 | [1-(1-Hydroxymethyl-2-phenyl-ethylc...)Show SMILES C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1[C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)C(=O)N[C@H](CO)Cc1ccccc1 |wU:21.28,23.26,17.19,29.33,1.0,wD:1.13,19.20,TLB:15:16:22:19.24.20,THB:18:17:22:19.24.20,18:19:22:16.17.25,20:19:16:21.22.25,(14.92,-9.95,;14.82,-8.44,;14.8,-6.9,;15.89,-5.82,;14.99,-4.57,;15.89,-3.32,;17.37,-3.8,;18.68,-3.03,;20.03,-3.8,;20.03,-5.34,;18.68,-6.11,;17.37,-5.34,;13.49,-9.22,;12.14,-8.45,;12.14,-6.91,;10.82,-9.24,;9.27,-9.22,;8.58,-10.57,;7.09,-11.24,;6.1,-10.08,;4.57,-9.79,;6.2,-9.19,;6.88,-7.87,;8.29,-8.06,;6.81,-8.67,;7.17,-10.25,;16.15,-9.19,;17.49,-8.41,;16.17,-10.73,;17.52,-11.49,;17.53,-13.03,;16.2,-13.81,;18.84,-10.69,;20.18,-11.46,;20.18,-13,;21.53,-13.76,;22.85,-12.97,;22.82,-11.43,;21.5,-10.68,)| Show InChI InChI=1S/C32H39N3O4/c1-32(17-25-18-33-28-10-6-5-9-27(25)28,30(37)34-26(19-36)16-20-7-3-2-4-8-20)35-31(38)39-29-23-12-21-11-22(14-23)15-24(29)13-21/h2-10,18,21-24,26,29,33,36H,11-17,19H2,1H3,(H,34,37)(H,35,38)/t21-,22+,23-,24+,26-,29?,32+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 1.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for in vitro binding affinity to cholecystokinin-A (CCK-A) receptor in homogenized rat pancreas using [125I]-Bolton hunter CCK26-33 as radi... |
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) | BDBM50280444
(2-(1-Hydroxymethyl-2-phenyl-ethylcarbamoyl)-2-(1H-...)Show SMILES OCC(Cc1ccccc1)NC(=O)C1(Cc2c[nH]c3ccccc23)CCCN1C(=O)OC1C2CC3CC(C2)CC1C3 |TLB:37:32:40:36.38.35,37:36:31.32.33:40,THB:30:31:40:36.38.35,35:36:31:34.33.40,35:34:31:36.37.38,(9.97,-.12,;8.68,-.96,;8.78,-2.5,;10.15,-3.19,;11.43,-2.34,;12.81,-3.03,;14.09,-2.18,;14,-.64,;12.62,.04,;11.34,-.8,;7.49,-3.36,;6.12,-2.67,;6.05,-1.52,;4.84,-3.52,;4.84,-1.98,;5.23,-.49,;3.86,.23,;4.09,1.74,;5.63,1.97,;6.47,3.24,;8,3.16,;8.68,1.77,;7.84,.51,;6.3,.6,;4.6,-5.05,;3.09,-5.29,;2.39,-3.93,;3.46,-2.83,;2.12,-2.05,;.8,-2.84,;2.08,-.51,;.75,.23,;.61,1.74,;-.97,2.09,;-2.37,1.34,;-3.44,2.49,;-1.75,2.02,;-.44,2.71,;-1.58,.61,;-.62,-.47,;-2.22,-.16,)| Show InChI InChI=1S/C34H41N3O4/c38-21-28(18-22-7-2-1-3-8-22)36-32(39)34(19-27-20-35-30-10-5-4-9-29(27)30)11-6-12-37(34)33(40)41-31-25-14-23-13-24(16-25)17-26(31)15-23/h1-5,7-10,20,23-26,28,31,35,38H,6,11-19,21H2,(H,36,39) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 2.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
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 CCK26-33 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 | |
Cholecystokinin receptor type A
(RAT) | 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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Evaluated for in vitro binding affinity to cholecystokinin-A (CCK-A) receptor in homogenized rat pancreas using [125I]bolton hunter CCK-26-33 as radi... |
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 | |
Search and Browse
