BDBM2283 5Cl3PhS-2IndolCONH2 inhibitor 9b::methyl 5-chloro-3-(phenylsulfanyl)-1H-indole-2-carboxylate

SMILES: COC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1

InChI Key: InChIKey=KTNJDRXZRDQUKW-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 2283   

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 (Human immunodeficiency virus type 1)	BDBM2283 (5Cl3PhS-2IndolCONH2 inhibitor 9b | methyl 5-chloro...) Show SMILES COC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1 Show InChI InChI=1S/C16H12ClNO2S/c1-20-16(19)14-15(21-11-5-3-2-4-6-11)12-9-10(17)7-8-13(12)18-14/h2-9,18H,1H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	156	n/a	n/a	n/a	n/a	8.2	n/a
Merck Research Laboratories					Assay Description The IC50 of reverse transcriptase is the concentration that inhibits 50% of recombinant HIV-1 RT RNA-directed DNA polymerase activity in vitro.				J Med Chem 36: 1291-4 (1993) Article DOI: 10.1021/jm00061a022 BindingDB Entry DOI: 10.7270/Q2RV0KWR
					More data for this Ligand-Target Pair