BDBM50007933 3-{5-tert-Butoxycarbonylamino-2-[2-tert-butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-pentanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid::CHEMBL108924::CHEMBL3142842

SMILES: CC(C)(C)OC(=O)NCCC[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

InChI Key: InChIKey=NCEZLTGXSCIBMC-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50007933   

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
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50007933 (3-{5-tert-Butoxycarbonylamino-2-[2-tert-butoxycarb...) Show SMILES CC(C)(C)OC(=O)NCCC[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 |r| Show InChI InChI=1S/C39H53N7O10/c1-38(2,3)55-36(53)41-18-12-17-27(33(50)45-30(21-31(47)48)35(52)44-28(32(40)49)19-23-13-8-7-9-14-23)43-34(51)29(46-37(54)56-39(4,5)6)20-24-22-42-26-16-11-10-15-25(24)26/h7-11,13-16,22,27-30,42H,12,17-21H2,1-6H3,(H2,40,49)(H,41,53)(H,43,51)(H,44,52)(H,45,50)(H,46,54)(H,47,48)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type B receptor of guinea pig brain membranes				J Med Chem 33: 3199-204 (1991) BindingDB Entry DOI: 10.7270/Q2XP73WF
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50007933 (3-{5-tert-Butoxycarbonylamino-2-[2-tert-butoxycarb...) Show SMILES CC(C)(C)OC(=O)NCCC[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 |r| Show InChI InChI=1S/C39H53N7O10/c1-38(2,3)55-36(53)41-18-12-17-27(33(50)45-30(21-31(47)48)35(52)44-28(32(40)49)19-23-13-8-7-9-14-23)43-34(51)29(46-37(54)56-39(4,5)6)20-24-22-42-26-16-11-10-15-25(24)26/h7-11,13-16,22,27-30,42H,12,17-21H2,1-6H3,(H2,40,49)(H,41,53)(H,43,51)(H,44,52)(H,45,50)(H,46,54)(H,47,48)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
INSERM Curated by ChEMBL					Assay Description Apparent affinity to inhibit binding of [3H]-pCCK-8 to Cholecystokinin type A receptor of guinea pig pancreatic membranes				J Med Chem 33: 3199-204 (1991) BindingDB Entry DOI: 10.7270/Q2XP73WF
					More data for this Ligand-Target Pair