BDBM42092 6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide::6-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-5-cyano-4-(furan-2-yl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide::6-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-5-cyano-4-(2-furyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide::6-[[2-(4-bromophenyl)-2-oxoethyl]thio]-5-cyano-4-(2-furanyl)-N-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxamide::BIM-0025022.P001::cid_2853524

SMILES: COc1ccccc1NC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Br)cc2)C(C#N)C1c1ccco1

InChI Key: InChIKey=FYWPEYQKHUHYCC-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 42092   

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
nuclear receptor subfamily 4, group A, member 1 (Homo sapiens (Human))	BDBM42092 (6-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfany...) Show SMILES COc1ccccc1NC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Br)cc2)C(C#N)C1c1ccco1 |c:12,t:15| Show InChI InChI=1S/C27H22BrN3O4S/c1-16-24(26(33)31-20-6-3-4-7-22(20)34-2)25(23-8-5-13-35-23)19(14-29)27(30-16)36-15-21(32)17-9-11-18(28)12-10-17/h3-13,19,25H,15H2,1-2H3,(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	PCBioAssay	n/a	n/a	n/a	n/a	6.24E+3	n/a	n/a	n/a	n/a
Sanford-Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2R78CMH
					More data for this Ligand-Target Pair