Found 14 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/Gastrin/cholecystokinin type B receptor
(Mus musculus-MOUSE) | BDBM50002477
((S)-3-{(S)-2-[(S)-2-tert-Butoxycarbonylamino-3-(1H...)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=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/C34H44N6O8S/c1-34(2,3)48-33(47)40-26(17-21-19-36-23-13-9-8-12-22(21)23)31(45)37-24(14-15-49-4)30(44)39-27(18-28(41)42)32(46)38-25(29(35)43)16-20-10-6-5-7-11-20/h5-13,19,24-27,36H,14-18H2,1-4H3,(H2,35,43)(H,37,45)(H,38,46)(H,39,44)(H,40,47)(H,41,42)/t24-,25-,26-,27-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentagastrin from Cholecystokinin receptor of mouse cerebral cortex |
J Med Chem 30: 729-32 (1987)
BindingDB Entry DOI: 10.7270/Q2KK9F0J |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Mus musculus-MOUSE) | BDBM50226755
(CHEMBL415630)Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1ccc(OS(O)(=O)=O)cc1)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/C45H57N9O13S3/c1-68-18-16-33(51-41(59)31(46)20-27-12-14-29(15-13-27)67-70(64,65)66)42(60)49-25-38(55)50-36(22-28-24-48-32-11-7-6-10-30(28)32)44(62)52-34(17-19-69-2)43(61)54-37(23-39(56)57)45(63)53-35(40(47)58)21-26-8-4-3-5-9-26/h3-15,24,31,33-37,48H,16-23,25,46H2,1-2H3,(H2,47,58)(H,49,60)(H,50,55)(H,51,59)(H,52,62)(H,53,63)(H,54,61)(H,56,57)(H,64,65,66)/t31-,33-,34-,35-,36-,37-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentagastrin from Cholecystokinin receptor of mouse cerebral cortex |
J Med Chem 30: 729-32 (1987)
BindingDB Entry DOI: 10.7270/Q2KK9F0J |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Mus musculus-MOUSE) | BDBM50024317
(3-{2-[2-Amino-3-(1H-indol-3-yl)-propionylamino]-4-...)Show SMILES CSCC[C@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C29H36N6O6S/c1-42-12-11-22(33-27(39)20(30)14-18-16-32-21-10-6-5-9-19(18)21)28(40)35-24(15-25(36)37)29(41)34-23(26(31)38)13-17-7-3-2-4-8-17/h2-10,16,20,22-24,32H,11-15,30H2,1H3,(H2,31,38)(H,33,39)(H,34,41)(H,35,40)(H,36,37)/t20-,22-,23-,24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
UniChem
Similars
| PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentagastrin from Cholecystokinin receptor of mouse cerebral cortex |
J Med Chem 30: 729-32 (1987)
BindingDB Entry DOI: 10.7270/Q2KK9F0J |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Mus musculus-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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentagastrin from Cholecystokinin receptor of mouse cerebral cortex |
J Med Chem 30: 729-32 (1987)
BindingDB Entry DOI: 10.7270/Q2KK9F0J |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Mus musculus-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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem
Similars
| PubMed
| 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentagastrin from Cholecystokinin receptor of mouse cerebral cortex |
J Med Chem 30: 729-32 (1987)
BindingDB Entry DOI: 10.7270/Q2KK9F0J |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Mus musculus-MOUSE) | BDBM50226758
(CHEMBL163010)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C31H38N6O8/c1-31(2,3)45-30(44)37-23(14-19-16-33-21-12-8-7-11-20(19)21)28(42)34-17-25(38)35-24(15-26(39)40)29(43)36-22(27(32)41)13-18-9-5-4-6-10-18/h4-12,16,22-24,33H,13-15,17H2,1-3H3,(H2,32,41)(H,34,42)(H,35,38)(H,36,43)(H,37,44)(H,39,40)/t22-,23-,24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentagastrin from Cholecystokinin receptor of mouse cerebral cortex |
J Med Chem 30: 729-32 (1987)
BindingDB Entry DOI: 10.7270/Q2KK9F0J |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Mus musculus-MOUSE) | BDBM50226754
(CHEMBL2371390)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C27H33N5O5/c1-27(2,3)37-26(36)32-22(14-18-15-29-20-12-8-7-11-19(18)20)25(35)30-16-23(33)31-21(24(28)34)13-17-9-5-4-6-10-17/h4-12,15,21-22,29H,13-14,16H2,1-3H3,(H2,28,34)(H,30,35)(H,31,33)(H,32,36)/t21-,22-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentagastrin from Cholecystokinin receptor of mouse cerebral cortex |
J Med Chem 30: 729-32 (1987)
BindingDB Entry DOI: 10.7270/Q2KK9F0J |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Mus musculus-MOUSE) | BDBM50226757
(CHEMBL352674)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C32H42N6O6S/c1-32(2,3)44-31(43)38-26(17-21-18-34-23-13-9-8-12-22(21)23)30(42)37-24(14-15-45-4)29(41)35-19-27(39)36-25(28(33)40)16-20-10-6-5-7-11-20/h5-13,18,24-26,34H,14-17,19H2,1-4H3,(H2,33,40)(H,35,41)(H,36,39)(H,37,42)(H,38,43)/t24-,25-,26-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentagastrin from Cholecystokinin receptor of mouse cerebral cortex |
J Med Chem 30: 729-32 (1987)
BindingDB Entry DOI: 10.7270/Q2KK9F0J |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Mus musculus-MOUSE) | BDBM50226753
(CHEMBL352070)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC(=O)NC(Cc1ccccc1)C(N)=O Show InChI InChI=1S/C28H35N5O5/c1-28(2,3)38-27(37)33-23(16-19-17-31-21-12-8-7-11-20(19)21)26(36)30-14-13-24(34)32-22(25(29)35)15-18-9-5-4-6-10-18/h4-12,17,22-23,31H,13-16H2,1-3H3,(H2,29,35)(H,30,36)(H,32,34)(H,33,37)/t22?,23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentagastrin from Cholecystokinin receptor of mouse cerebral cortex |
J Med Chem 30: 729-32 (1987)
BindingDB Entry DOI: 10.7270/Q2KK9F0J |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Mus musculus-MOUSE) | BDBM50024320
(CHEMBL32301 | [(S)-1-((S)-1-Carbamoyl-2-phenyl-eth...)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C25H30N4O4/c1-25(2,3)33-24(32)29-21(14-17-15-27-19-12-8-7-11-18(17)19)23(31)28-20(22(26)30)13-16-9-5-4-6-10-16/h4-12,15,20-21,27H,13-14H2,1-3H3,(H2,26,30)(H,28,31)(H,29,32)/t20-,21-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentagastrin from Cholecystokinin receptor of mouse cerebral cortex |
J Med Chem 30: 729-32 (1987)
BindingDB Entry DOI: 10.7270/Q2KK9F0J |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Mus musculus-MOUSE) | BDBM50226756
(CHEMBL163210)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C29H36N6O6/c1-29(2,3)41-28(40)35-23(14-19-15-31-21-12-8-7-11-20(19)21)27(39)33-16-24(36)32-17-25(37)34-22(26(30)38)13-18-9-5-4-6-10-18/h4-12,15,22-23,31H,13-14,16-17H2,1-3H3,(H2,30,38)(H,32,36)(H,33,39)(H,34,37)(H,35,40)/t22-,23-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.20E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentagastrin from Cholecystokinin receptor of mouse cerebral cortex |
J Med Chem 30: 729-32 (1987)
BindingDB Entry DOI: 10.7270/Q2KK9F0J |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Mus musculus-MOUSE) | BDBM50226759
(CHEMBL162600)Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCC(=O)NC(Cc1ccccc1)C(N)=O Show InChI InChI=1S/C29H37N5O5/c1-29(2,3)39-28(38)34-24(17-20-18-32-22-13-8-7-12-21(20)22)27(37)31-15-9-14-25(35)33-23(26(30)36)16-19-10-5-4-6-11-19/h4-8,10-13,18,23-24,32H,9,14-17H2,1-3H3,(H2,30,36)(H,31,37)(H,33,35)(H,34,38)/t23?,24-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5.30E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentagastrin from Cholecystokinin receptor of mouse cerebral cortex |
J Med Chem 30: 729-32 (1987)
BindingDB Entry DOI: 10.7270/Q2KK9F0J |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Mus musculus-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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.00E+8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentagastrin from Cholecystokinin receptor of mouse cerebral cortex |
J Med Chem 30: 729-32 (1987)
BindingDB Entry DOI: 10.7270/Q2KK9F0J |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A/Gastrin/cholecystokinin type B receptor
(Mus musculus-MOUSE) | BDBM50226752
(CHEMBL162388)Show SMILES CSCC[C@H](N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C18H26N4O5S/c1-28-8-7-12(19)17(26)22-14(10-15(23)24)18(27)21-13(16(20)25)9-11-5-3-2-4-6-11/h2-6,12-14H,7-10,19H2,1H3,(H2,20,25)(H,21,27)(H,22,26)(H,23,24)/t12-,13-,14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.00E+9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]pentagastrin from Cholecystokinin receptor of mouse cerebral cortex |
J Med Chem 30: 729-32 (1987)
BindingDB Entry DOI: 10.7270/Q2KK9F0J |
More data for this
Ligand-Target Pair | |
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