BDBM50127445 1-(5-Cyclohexyl-2-oxo-1-propyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-[4-(4-dimethylamino-piperidin-1-yl)-phenyl]-urea::CHEMBL52498

SMILES: CCCN1c2ccccc2C(=NC(NC(=O)Nc2ccc(cc2)N2CCC(CC2)N(C)C)C1=O)C1CCCCC1

InChI Key: InChIKey=INDVJKRYIVVHGE-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50127445   

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
Bradykinin B1 receptor (Homo sapiens (Human))	BDBM50127445 (1-(5-Cyclohexyl-2-oxo-1-propyl-2,3-dihydro-1H-benz...) Show SMILES CCCN1c2ccccc2C(=NC(NC(=O)Nc2ccc(cc2)N2CCC(CC2)N(C)C)C1=O)C1CCCCC1 |c:11| Show InChI InChI=1S/C32H44N6O2/c1-4-20-38-28-13-9-8-12-27(28)29(23-10-6-5-7-11-23)34-30(31(38)39)35-32(40)33-24-14-16-26(17-15-24)37-21-18-25(19-22-37)36(2)3/h8-9,12-17,23,25,30H,4-7,10-11,18-22H2,1-3H3,(H2,33,35,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human bradykinin B1 receptor				J Med Chem 46: 1803-6 (2003) Article DOI: 10.1021/jm034020y BindingDB Entry DOI: 10.7270/Q29P32C6
					More data for this Ligand-Target Pair
Bradykinin B1 receptor (Homo sapiens (Human))	BDBM50127445 (1-(5-Cyclohexyl-2-oxo-1-propyl-2,3-dihydro-1H-benz...) Show SMILES CCCN1c2ccccc2C(=NC(NC(=O)Nc2ccc(cc2)N2CCC(CC2)N(C)C)C1=O)C1CCCCC1 |c:11| Show InChI InChI=1S/C32H44N6O2/c1-4-20-38-28-13-9-8-12-27(28)29(23-10-6-5-7-11-23)34-30(31(38)39)35-32(40)33-24-14-16-26(17-15-24)37-21-18-25(19-22-37)36(2)3/h8-9,12-17,23,25,30H,4-7,10-11,18-22H2,1-3H3,(H2,33,35,40)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Compound was tested for inhibition against human bradykinin B1 receptor using FLIPR assay				J Med Chem 46: 1803-6 (2003) Article DOI: 10.1021/jm034020y BindingDB Entry DOI: 10.7270/Q29P32C6
					More data for this Ligand-Target Pair