BDBM44239 3-[2-(4-chloranyl-2-methyl-phenoxy)phenyl]-3-oxidanylidene-propanenitrile::3-[2-(4-chloro-2-methyl-phenoxy)phenyl]-3-keto-propionitrile::3-[2-(4-chloro-2-methylphenoxy)phenyl]-3-oxopropanenitrile::MLS000755673::SMR000337345::cid_3817492

SMILES: Cc1cc(Cl)ccc1Oc1ccccc1C(=O)CC#N

InChI Key: InChIKey=FMOYOCBGWVTVIW-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 44239   

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
NS3 (Hepatitis C virus)	BDBM44239 (3-[2-(4-chloranyl-2-methyl-phenoxy)phenyl]-3-oxida...) Show SMILES Cc1cc(Cl)ccc1Oc1ccccc1C(=O)CC#N Show InChI InChI=1S/C16H12ClNO2/c1-11-10-12(17)6-7-15(11)20-16-5-3-2-4-13(16)14(19)8-9-18/h2-7,10H,8H2,1H3	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2XS5ST3
					More data for this Ligand-Target Pair
electroneutral potassium-chloride cotransporter KCC2 (Homo sapiens (Human))	BDBM44239 (3-[2-(4-chloranyl-2-methyl-phenoxy)phenyl]-3-oxida...) Show SMILES Cc1cc(Cl)ccc1Oc1ccccc1C(=O)CC#N Show InChI InChI=1S/C16H12ClNO2/c1-11-10-12(17)6-7-15(11)20-16-5-3-2-4-13(16)14(19)8-9-18/h2-7,10H,8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.33E+5	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Assay Provider: Eric Delpire Assay Provider Affliation: Vanderbilt University Gr...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2Q52N1X
					More data for this Ligand-Target Pair