BDBM50377221 CHEMBL402813

SMILES: COCCN(CC(=O)N1CCCC(C1CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=VAPFYVRZDCWUAW-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 = 50377221   

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))	BDBM50377221 (CHEMBL402813) Show SMILES COCCN(CC(=O)N1CCCC(C1CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 |w:12.22,13.14| Show InChI InChI=1S/C27H35Cl2N3O3/c1-34-15-14-31(22-9-10-24(28)25(29)18-22)20-27(33)32-11-5-8-23(21-6-3-2-4-7-21)26(32)19-30-12-16-35-17-13-30/h2-4,6-7,9-10,18,23,26H,5,8,11-17,19-20H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [125I]hU-2 from human recombinant Urotensin 2 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 18: 3500-3 (2008) Article DOI: 10.1016/j.bmcl.2008.05.027 BindingDB Entry DOI: 10.7270/Q29024Q7
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50377221 (CHEMBL402813) Show SMILES COCCN(CC(=O)N1CCCC(C1CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 |w:12.22,13.14| Show InChI InChI=1S/C27H35Cl2N3O3/c1-34-15-14-31(22-9-10-24(28)25(29)18-22)20-27(33)32-11-5-8-23(21-6-3-2-4-7-21)26(32)19-30-12-16-35-17-13-30/h2-4,6-7,9-10,18,23,26H,5,8,11-17,19-20H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 18: 3500-3 (2008) Article DOI: 10.1016/j.bmcl.2008.05.027 BindingDB Entry DOI: 10.7270/Q29024Q7
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50377221 (CHEMBL402813) Show SMILES COCCN(CC(=O)N1CCCC(C1CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 |w:12.22,13.14| Show InChI InChI=1S/C27H35Cl2N3O3/c1-34-15-14-31(22-9-10-24(28)25(29)18-22)20-27(33)32-11-5-8-23(21-6-3-2-4-7-21)26(32)19-30-12-16-35-17-13-30/h2-4,6-7,9-10,18,23,26H,5,8,11-17,19-20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Agonist activity at kappa opioid receptor				Bioorg Med Chem Lett 18: 3500-3 (2008) Article DOI: 10.1016/j.bmcl.2008.05.027 BindingDB Entry DOI: 10.7270/Q29024Q7
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50377221 (CHEMBL402813) Show SMILES COCCN(CC(=O)N1CCCC(C1CN1CCOCC1)c1ccccc1)c1ccc(Cl)c(Cl)c1 |w:12.22,13.14| Show InChI InChI=1S/C27H35Cl2N3O3/c1-34-15-14-31(22-9-10-24(28)25(29)18-22)20-27(33)32-11-5-8-23(21-6-3-2-4-7-21)26(32)19-30-12-16-35-17-13-30/h2-4,6-7,9-10,18,23,26H,5,8,11-17,19-20H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 18: 3500-3 (2008) Article DOI: 10.1016/j.bmcl.2008.05.027 BindingDB Entry DOI: 10.7270/Q29024Q7
					More data for this Ligand-Target Pair