BDBM12079 6-Chloro-4-cyclohexyloxy-3-isopropylquinol-2-one::6-chloro-4-(cyclohexyloxy)-3-(propan-2-yl)-1,2-dihydroquinolin-2-one::quinolone-based inhibitor 2b

SMILES: CC(C)c1c(OC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O

InChI Key: InChIKey=OQCFORGSZJSAEL-UHFFFAOYSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 = 12079   

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)	BDBM12079 (6-Chloro-4-cyclohexyloxy-3-isopropylquinol-2-one |...) Show SMILES CC(C)c1c(OC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O Show InChI InChI=1S/C18H22ClNO2/c1-11(2)16-17(22-13-6-4-3-5-7-13)14-10-12(19)8-9-15(14)20-18(16)21/h8-11,13H,3-7H2,1-2H3,(H,20,21)	PDB MMDB B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	7.8	22
University of Oxford					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 47: 5912-22 (2004) Article DOI: 10.1021/jm040071z BindingDB Entry DOI: 10.7270/Q2ZG6QGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (L100I) (Human immunodeficiency virus type 1)	BDBM12079 (6-Chloro-4-cyclohexyloxy-3-isopropylquinol-2-one |...) Show SMILES CC(C)c1c(OC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O Show InChI InChI=1S/C18H22ClNO2/c1-11(2)16-17(22-13-6-4-3-5-7-13)14-10-12(19)8-9-15(14)20-18(16)21/h8-11,13H,3-7H2,1-2H3,(H,20,21)	PDB MMDB B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.96E+3	n/a	n/a	n/a	n/a	7.8	22
University of Oxford					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 47: 5912-22 (2004) Article DOI: 10.1021/jm040071z BindingDB Entry DOI: 10.7270/Q2ZG6QGC
					More data for this Ligand-Target Pair				3D Structure (crystal)
HIV-1 Reverse Transcriptase Mutant (Y181C) (Human immunodeficiency virus type 1)	BDBM12079 (6-Chloro-4-cyclohexyloxy-3-isopropylquinol-2-one |...) Show SMILES CC(C)c1c(OC2CCCCC2)c2cc(Cl)ccc2[nH]c1=O Show InChI InChI=1S/C18H22ClNO2/c1-11(2)16-17(22-13-6-4-3-5-7-13)14-10-12(19)8-9-15(14)20-18(16)21/h8-11,13H,3-7H2,1-2H3,(H,20,21)	PDB MMDB B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	7.8	22
University of Oxford					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 47: 5912-22 (2004) Article DOI: 10.1021/jm040071z BindingDB Entry DOI: 10.7270/Q2ZG6QGC
					More data for this Ligand-Target Pair				3D Structure (crystal)