BDBM95245 2-[[6-amino-3,5-dicyano-4-(4-methoxyphenyl)-2-pyridinyl]thio]acetic acid ethyl ester::2-[[6-amino-3,5-dicyano-4-(4-methoxyphenyl)-2-pyridyl]thio]acetic acid ethyl ester::MLS000079518::SMR000034262::cid_659270::ethyl 2-[6-amino-3,5-dicyano-4-(4-methoxyphenyl)pyridin-2-yl]sulfanylacetate::ethyl 2-[6-azanyl-3,5-dicyano-4-(4-methoxyphenyl)pyridin-2-yl]sulfanylethanoate

SMILES: CCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1C#N

InChI Key: InChIKey=MGWXXGDGVOMGNW-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 95245   

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
HIV-1 B HXB2-LAI-IIIB-BRU (Human immunodeficiency virus type 1 group M subtyp...)	BDBM95245 (2-[[6-amino-3,5-dicyano-4-(4-methoxyphenyl)-2-pyri...) Show SMILES CCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1C#N Show InChI InChI=1S/C18H16N4O3S/c1-3-25-15(23)10-26-18-14(9-20)16(13(8-19)17(21)22-18)11-4-6-12(24-2)7-5-11/h4-7H,3,10H2,1-2H3,(H2,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2KD1WJB
					More data for this Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU (Human immunodeficiency virus type 1 group M subtyp...)	BDBM95245 (2-[[6-amino-3,5-dicyano-4-(4-methoxyphenyl)-2-pyri...) Show SMILES CCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1C#N Show InChI InChI=1S/C18H16N4O3S/c1-3-25-15(23)10-26-18-14(9-20)16(13(8-19)17(21)22-18)11-4-6-12(24-2)7-5-11/h4-7H,3,10H2,1-2H3,(H2,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q29W0D3P
					More data for this Ligand-Target Pair
HIV-1 B HXB2-LAI-IIIB-BRU (Human immunodeficiency virus type 1 group M subtyp...)	BDBM95245 (2-[[6-amino-3,5-dicyano-4-(4-methoxyphenyl)-2-pyri...) Show SMILES CCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1C#N Show InChI InChI=1S/C18H16N4O3S/c1-3-25-15(23)10-26-18-14(9-20)16(13(8-19)17(21)22-18)11-4-6-12(24-2)7-5-11/h4-7H,3,10H2,1-2H3,(H2,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2FN14T0
					More data for this Ligand-Target Pair