BDBM27608 2-{4-[3-chloro-4-(2-{[3-(2-chloro-4-methylphenyl)-1-methyl-1H-pyrazol-4-yl]sulfanyl}acetamido)phenyl]phenyl}acetic acid::pyrazolyl compound, 33

SMILES: Cc1ccc(-c2nn(C)cc2SCC(=O)Nc2ccc(cc2Cl)-c2ccc(CC(O)=O)cc2)c(Cl)c1

InChI Key: InChIKey=AJKYPJUTNJDIRZ-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 27608   

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 Reverse Transcriptase Mutant (103N/181C) (Human immunodeficiency virus type 1)	BDBM27608 (2-{4-[3-chloro-4-(2-{[3-(2-chloro-4-methylphenyl)-...) Show SMILES Cc1ccc(-c2nn(C)cc2SCC(=O)Nc2ccc(cc2Cl)-c2ccc(CC(O)=O)cc2)c(Cl)c1 Show InChI InChI=1S/C27H23Cl2N3O3S/c1-16-3-9-20(21(28)11-16)27-24(14-32(2)31-27)36-15-25(33)30-23-10-8-19(13-22(23)29)18-6-4-17(5-7-18)12-26(34)35/h3-11,13-14H,12,15H2,1-2H3,(H,30,33)(H,34,35)	PDB MMDB B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim (Canada) Ltd.					Assay Description IC50 values for wild-type and mutant RTs were obtained from a scintillation prox imity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value repres...				Bioorg Med Chem Lett 19: 1199-205 (2009) Article DOI: 10.1016/j.bmcl.2008.12.074 BindingDB Entry DOI: 10.7270/Q2ZG6QKQ
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