BDBM50169823 (+)-6-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridin-2-ylamino]-methyl}-phenyl)-cyclohex-3-enecarboxylic acid methyl ester::(+/-cis)-6-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridin-2-ylamino]-methyl}-phenyl)-cyclohex-3-enecarboxylic acid methyl ester::(+/-trans)-6-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridin-2-ylamino]-methyl}-phenyl)-cyclohex-3-enecarboxylic acid methyl ester::(-)-6-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridin-2-ylamino]-methyl}-phenyl)-cyclohex-3-enecarboxylic acid methyl ester::CHEMBL182378

SMILES: COC(=O)C1CC=CCC1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1

InChI Key: InChIKey=NQMORFTYVLNGOV-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50169823   

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))	BDBM50169823 ((+)-6-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridi...) Show SMILES COC(=O)C1CC=CCC1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 |c:6| Show InChI InChI=1S/C24H26N4O3/c1-16-12-14-26-23(22(16)28-21(29)11-13-25)27-15-17-7-9-18(10-8-17)19-5-3-4-6-20(19)24(30)31-2/h3-4,7-10,12,14,19-20H,5-6,11,15H2,1-2H3,(H,26,27)(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Binding affinity against Human bradykinin receptor B1				Bioorg Med Chem Lett 15: 3925-9 (2005) Article DOI: 10.1016/j.bmcl.2005.05.133 BindingDB Entry DOI: 10.7270/Q2NC60Q0
					More data for this Ligand-Target Pair
Bradykinin B1 receptor (Homo sapiens (Human))	BDBM50169823 ((+)-6-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridi...) Show SMILES COC(=O)C1CC=CCC1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 |c:6| Show InChI InChI=1S/C24H26N4O3/c1-16-12-14-26-23(22(16)28-21(29)11-13-25)27-15-17-7-9-18(10-8-17)19-5-3-4-6-20(19)24(30)31-2/h3-4,7-10,12,14,19-20H,5-6,11,15H2,1-2H3,(H,26,27)(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Binding affinity against Human bradykinin receptor B1				Bioorg Med Chem Lett 15: 3925-9 (2005) Article DOI: 10.1016/j.bmcl.2005.05.133 BindingDB Entry DOI: 10.7270/Q2NC60Q0
					More data for this Ligand-Target Pair
Bradykinin B1 receptor (Homo sapiens (Human))	BDBM50169823 ((+)-6-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridi...) Show SMILES COC(=O)C1CC=CCC1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 |c:6| Show InChI InChI=1S/C24H26N4O3/c1-16-12-14-26-23(22(16)28-21(29)11-13-25)27-15-17-7-9-18(10-8-17)19-5-3-4-6-20(19)24(30)31-2/h3-4,7-10,12,14,19-20H,5-6,11,15H2,1-2H3,(H,26,27)(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Binding affinity against Human bradykinin receptor B1				Bioorg Med Chem Lett 15: 3925-9 (2005) Article DOI: 10.1016/j.bmcl.2005.05.133 BindingDB Entry DOI: 10.7270/Q2NC60Q0
					More data for this Ligand-Target Pair
Bradykinin B1 receptor (Homo sapiens (Human))	BDBM50169823 ((+)-6-(4-{[3-(2-Cyano-acetylamino)-4-methyl-pyridi...) Show SMILES COC(=O)C1CC=CCC1c1ccc(CNc2nccc(C)c2NC(=O)CC#N)cc1 |c:6| Show InChI InChI=1S/C24H26N4O3/c1-16-12-14-26-23(22(16)28-21(29)11-13-25)27-15-17-7-9-18(10-8-17)19-5-3-4-6-20(19)24(30)31-2/h3-4,7-10,12,14,19-20H,5-6,11,15H2,1-2H3,(H,26,27)(H,28,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Binding affinity against Human bradykinin receptor B1				Bioorg Med Chem Lett 15: 3925-9 (2005) Article DOI: 10.1016/j.bmcl.2005.05.133 BindingDB Entry DOI: 10.7270/Q2NC60Q0
					More data for this Ligand-Target Pair