BDBM50287271 (3-{2-[2-(2,2-Diamino-vinyl)-thiazol-4-ylmethylsulfanyl]-ethylcarbamoyl}-propyl)-carbamic acid 3-[(R)-1-methyl-2-oxo-3-(3-m-tolyl-ureido)-2,3-dihydro-1H-benzo[e][1,4]diazepin-5-yl]-phenyl ester::CHEMBL286835

SMILES: CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1cccc(OC(=O)NCCCC(=O)NCCSCc2csc(CC(N)=N)n2)c1

InChI Key: InChIKey=QBTCQFHVYOBEGS-UMSFTDKQSA-N

Data: 3 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 3 hits for monomerid = 50287271   

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 (Mus musculus)	BDBM50287271 ((3-{2-[2-(2,2-Diamino-vinyl)-thiazol-4-ylmethylsul...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1cccc(OC(=O)NCCCC(=O)NCCSCc2csc(CC(N)=N)n2)c1 |c:9| Show InChI InChI=1S/C37H41N9O5S2/c1-23-8-5-10-25(18-23)43-36(49)45-34-35(48)46(2)29-13-4-3-12-28(29)33(44-34)24-9-6-11-27(19-24)51-37(50)41-15-7-14-31(47)40-16-17-52-21-26-22-53-32(42-26)20-30(38)39/h3-6,8-13,18-19,22,34H,7,14-17,20-21H2,1-2H3,(H3,38,39)(H,40,47)(H,41,50)(H2,43,45,49)/t34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Cholecystokinin type A receptor				Bioorg Med Chem Lett 6: 1427-1430 (1996) Article DOI: 10.1016/S0960-894X(96)00249-1 BindingDB Entry DOI: 10.7270/Q2XD11NF
					More data for this Ligand-Target Pair
Cholecystokinin receptor (Homo sapiens (Human))	BDBM50287271 ((3-{2-[2-(2,2-Diamino-vinyl)-thiazol-4-ylmethylsul...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1cccc(OC(=O)NCCCC(=O)NCCSCc2csc(CC(N)=N)n2)c1 |c:9| Show InChI InChI=1S/C37H41N9O5S2/c1-23-8-5-10-25(18-23)43-36(49)45-34-35(48)46(2)29-13-4-3-12-28(29)33(44-34)24-9-6-11-27(19-24)51-37(50)41-15-7-14-31(47)40-16-17-52-21-26-22-53-32(42-26)20-30(38)39/h3-6,8-13,18-19,22,34H,7,14-17,20-21H2,1-2H3,(H3,38,39)(H,40,47)(H,41,50)(H2,43,45,49)/t34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against gastrin receptor.				Bioorg Med Chem Lett 6: 1427-1430 (1996) Article DOI: 10.1016/S0960-894X(96)00249-1 BindingDB Entry DOI: 10.7270/Q2XD11NF
					More data for this Ligand-Target Pair
Cholecystokinin receptor (MOUSE)	BDBM50287271 ((3-{2-[2-(2,2-Diamino-vinyl)-thiazol-4-ylmethylsul...) Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2cccc(C)c2)C1=O)c1cccc(OC(=O)NCCCC(=O)NCCSCc2csc(CC(N)=N)n2)c1 |c:9| Show InChI InChI=1S/C37H41N9O5S2/c1-23-8-5-10-25(18-23)43-36(49)45-34-35(48)46(2)29-13-4-3-12-28(29)33(44-34)24-9-6-11-27(19-24)51-37(50)41-15-7-14-31(47)40-16-17-52-21-26-22-53-32(42-26)20-30(38)39/h3-6,8-13,18-19,22,34H,7,14-17,20-21H2,1-2H3,(H3,38,39)(H,40,47)(H,41,50)(H2,43,45,49)/t34-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibitory activity against Cholecystokinin type B receptor				Bioorg Med Chem Lett 6: 1427-1430 (1996) Article DOI: 10.1016/S0960-894X(96)00249-1 BindingDB Entry DOI: 10.7270/Q2XD11NF
					More data for this Ligand-Target Pair