BDBM50002498 3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[(5-hydroxy-quinoline-3-carbonyl)-amino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid; hydrate::CHEMBL292298

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cnc2cccc(O)c2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=DDUAFEYIPWOELY-ZYADHFCISA-N

Data: 2 IC50

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 = 50002498   

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))	BDBM50002498 (3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cnc2cccc(O)c2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C45H52N8O10/c1-45(2,3)63-44(62)53-35(22-27-24-48-31-15-8-7-14-29(27)31)42(60)50-33(16-9-10-19-47-40(58)28-21-30-32(49-25-28)17-11-18-37(30)54)41(59)52-36(23-38(55)56)43(61)51-34(39(46)57)20-26-12-5-4-6-13-26/h4-8,11-15,17-18,21,24-25,33-36,48,54H,9-10,16,19-20,22-23H2,1-3H3,(H2,46,57)(H,47,58)(H,50,60)(H,51,61)(H,52,59)(H,53,62)(H,55,56)/t33-,34-,35-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig cortex				J Med Chem 35: 2007-14 (1992) BindingDB Entry DOI: 10.7270/Q21J9BDC
					More data for this Ligand-Target Pair
Cholecystokinin A receptor (Cavia porcellus)	BDBM50002498 (3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)...) Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1cnc2cccc(O)c2c1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C45H52N8O10/c1-45(2,3)63-44(62)53-35(22-27-24-48-31-15-8-7-14-29(27)31)42(60)50-33(16-9-10-19-47-40(58)28-21-30-32(49-25-28)17-11-18-37(30)54)41(59)52-36(23-38(55)56)43(61)51-34(39(46)57)20-26-12-5-4-6-13-26/h4-8,11-15,17-18,21,24-25,33-36,48,54H,9-10,16,19-20,22-23H2,1-3H3,(H2,46,57)(H,47,58)(H,50,60)(H,51,61)(H,52,59)(H,53,62)(H,55,56)/t33-,34-,35-,36-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of specific binding of [125I]BH-CCK-8 in guinea pig pancreas.				J Med Chem 35: 2007-14 (1992) BindingDB Entry DOI: 10.7270/Q21J9BDC
					More data for this Ligand-Target Pair