BDBM50002495 3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[3-(4-methoxy-phenyl)-propionylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid; hydrate::CHEMBL3144540

SMILES COc1ccc(CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1

InChI Key InChIKey=AJVLLGWDFJYUDZ-KKHBYIRHSA-N

Data  2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50002495   

TargetGastrin/cholecystokinin type B receptor(Homo sapiens (Human))
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50002495(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES COc1ccc(CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1
Show InChI InChI=1S/C45H57N7O10/c1-45(2,3)62-44(60)52-36(25-30-27-48-33-15-9-8-14-32(30)33)42(58)49-34(16-10-11-23-47-38(53)22-19-28-17-20-31(61-4)21-18-28)41(57)51-37(26-39(54)55)43(59)50-35(40(46)56)24-29-12-6-5-7-13-29/h5-9,12-15,17-18,20-21,27,34-37,48H,10-11,16,19,22-26H2,1-4H3,(H2,46,56)(H,47,53)(H,49,58)(H,50,59)(H,51,57)(H,52,60)(H,54,55)/t34-,35?,36?,37?/m0/s1
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig cortexMore data for this Ligand-Target Pair
TargetCholecystokinin receptor type A(Cavia porcellus)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50002495(3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...)
Show SMILES COc1ccc(CCC(=O)NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cc1
Show InChI InChI=1S/C45H57N7O10/c1-45(2,3)62-44(60)52-36(25-30-27-48-33-15-9-8-14-32(30)33)42(58)49-34(16-10-11-23-47-38(53)22-19-28-17-20-31(61-4)21-18-28)41(57)51-37(26-39(54)55)43(59)50-35(40(46)56)24-29-12-6-5-7-13-29/h5-9,12-15,17-18,20-21,27,34-37,48H,10-11,16,19,22-26H2,1-4H3,(H2,46,56)(H,47,53)(H,49,58)(H,50,59)(H,51,57)(H,52,60)(H,54,55)/t34-,35?,36?,37?/m0/s1
Affinity DataIC50: 140nMAssay Description:Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig pancreas.More data for this Ligand-Target Pair