BDBM50244019 4'-[1-({2-[(3,4-Dichloro-phenyl)-(2-methoxy-ethyl)-amino]-acetyl}-methyl-amino)-2-pyrrolidin-1-yl-ethyl]-biphenyl-4-carboxylic acid amide::CHEMBL453067

SMILES: COCCN(CC(=O)N(C)C(CN1CCCC1)c1ccc(cc1)-c1ccc(cc1)C(N)=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=GWRZMVNMDPUMHU-UHFFFAOYSA-N

Data: 1 KI  2 IC50  1 EC50

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 = 50244019   

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
Urotensin II receptor (Homo sapiens (Human))	BDBM50244019 (4'-[1-({2-[(3,4-Dichloro-phenyl)-(2-methoxy-ethyl)...) Show SMILES COCCN(CC(=O)N(C)C(CN1CCCC1)c1ccc(cc1)-c1ccc(cc1)C(N)=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H36Cl2N4O3/c1-35(30(38)21-37(17-18-40-2)26-13-14-27(32)28(33)19-26)29(20-36-15-3-4-16-36)24-9-5-22(6-10-24)23-7-11-25(12-8-23)31(34)39/h5-14,19,29H,3-4,15-18,20-21H2,1-2H3,(H2,34,39)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human urotensin2 receptor				Bioorg Med Chem Lett 18: 3716-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.058 BindingDB Entry DOI: 10.7270/Q2RN37NJ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50244019 (4'-[1-({2-[(3,4-Dichloro-phenyl)-(2-methoxy-ethyl)...) Show SMILES COCCN(CC(=O)N(C)C(CN1CCCC1)c1ccc(cc1)-c1ccc(cc1)C(N)=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H36Cl2N4O3/c1-35(30(38)21-37(17-18-40-2)26-13-14-27(32)28(33)19-26)29(20-36-15-3-4-16-36)24-9-5-22(6-10-24)23-7-11-25(12-8-23)31(34)39/h5-14,19,29H,3-4,15-18,20-21H2,1-2H3,(H2,34,39)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Bioorg Med Chem Lett 18: 3716-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.058 BindingDB Entry DOI: 10.7270/Q2RN37NJ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50244019 (4'-[1-({2-[(3,4-Dichloro-phenyl)-(2-methoxy-ethyl)...) Show SMILES COCCN(CC(=O)N(C)C(CN1CCCC1)c1ccc(cc1)-c1ccc(cc1)C(N)=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H36Cl2N4O3/c1-35(30(38)21-37(17-18-40-2)26-13-14-27(32)28(33)19-26)29(20-36-15-3-4-16-36)24-9-5-22(6-10-24)23-7-11-25(12-8-23)31(34)39/h5-14,19,29H,3-4,15-18,20-21H2,1-2H3,(H2,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor (unknown origin)				Bioorg Med Chem Lett 18: 3716-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.058 BindingDB Entry DOI: 10.7270/Q2RN37NJ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50244019 (4'-[1-({2-[(3,4-Dichloro-phenyl)-(2-methoxy-ethyl)...) Show SMILES COCCN(CC(=O)N(C)C(CN1CCCC1)c1ccc(cc1)-c1ccc(cc1)C(N)=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C31H36Cl2N4O3/c1-35(30(38)21-37(17-18-40-2)26-13-14-27(32)28(33)19-26)29(20-36-15-3-4-16-36)24-9-5-22(6-10-24)23-7-11-25(12-8-23)31(34)39/h5-14,19,29H,3-4,15-18,20-21H2,1-2H3,(H2,34,39)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Bioorg Med Chem Lett 18: 3716-9 (2008) Article DOI: 10.1016/j.bmcl.2008.05.058 BindingDB Entry DOI: 10.7270/Q2RN37NJ
					More data for this Ligand-Target Pair