BDBM50007978 3-{2-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-6-[3-(2,3-dichloro-phenyl)-ureido]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid::CHEMBL3142691::CHEMBL419522

SMILES: CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1cccc(Cl)c1Cl)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=NEPCITQVDPCOKI-IMDVACINSA-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 = 50007978   

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 A receptor (Cavia porcellus)	BDBM50007978 (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)Nc1cccc(Cl)c1Cl)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C42H50Cl2N8O9/c1-42(2,3)61-41(60)52-32(21-25-23-47-28-16-8-7-14-26(25)28)38(57)48-30(17-9-10-19-46-40(59)51-29-18-11-15-27(43)35(29)44)37(56)50-33(22-34(53)54)39(58)49-31(36(45)55)20-24-12-5-4-6-13-24/h4-8,11-16,18,23,30-33,47H,9-10,17,19-22H2,1-3H3,(H2,45,55)(H,48,57)(H,49,58)(H,50,56)(H,52,60)(H,53,54)(H2,46,51,59)/t30-,31?,32?,33?/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards cholecystokinin type A receptor in guinea pig pancreas by using [125I]-BH-CCK-8 as radioligand				J Med Chem 34: 2837-42 (1991) BindingDB Entry DOI: 10.7270/Q2JD4VRF
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50007978 (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)Nc1cccc(Cl)c1Cl)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C42H50Cl2N8O9/c1-42(2,3)61-41(60)52-32(21-25-23-47-28-16-8-7-14-26(25)28)38(57)48-30(17-9-10-19-46-40(59)51-29-18-11-15-27(43)35(29)44)37(56)50-33(22-34(53)54)39(58)49-31(36(45)55)20-24-12-5-4-6-13-24/h4-8,11-16,18,23,30-33,47H,9-10,17,19-22H2,1-3H3,(H2,45,55)(H,48,57)(H,49,58)(H,50,56)(H,52,60)(H,53,54)(H2,46,51,59)/t30-,31?,32?,33?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards cholecystokinin type B receptor in guinea pig cortex by using [125I]-BH-CCK-8 as radioligand				J Med Chem 34: 2837-42 (1991) BindingDB Entry DOI: 10.7270/Q2JD4VRF
					More data for this Ligand-Target Pair