Identical Ligands in BindingDB

Found 3 hits Enzyme Inhibition Constant Data   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gag-Pol polyprotein [588-1027]/[588-1147]   (439/440 > 99%)† (Human immunodeficiency virus type 1)	BDBM12081 (6-Chloro-4-(cyclohexylsulfinyl)-3-propyl-1H-quinol...) Show SMILES CCCc1c(S(=O)C2CCCCC2)c2cc(Cl)ccc2[nH]c1=O Show InChI InChI=1S/C18H22ClNO2S/c1-2-6-14-17(23(22)13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	380	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)
Gag-Pol polyprotein [588-1127,Y768C]/[588-1147,Y768C]   (438/440 > 99%)† (Human immunodeficiency virus type 1)	BDBM12081 (6-Chloro-4-(cyclohexylsulfinyl)-3-propyl-1H-quinol...) Show SMILES CCCc1c(S(=O)C2CCCCC2)c2cc(Cl)ccc2[nH]c1=O Show InChI InChI=1S/C18H22ClNO2S/c1-2-6-14-17(23(22)13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.26E+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)
Gag-Pol polyprotein [588-1127,L687I]/[588-1147,L687I]   (438/440 > 99%)† (Human immunodeficiency virus type 1)	BDBM12081 (6-Chloro-4-(cyclohexylsulfinyl)-3-propyl-1H-quinol...) Show SMILES CCCc1c(S(=O)C2CCCCC2)c2cc(Cl)ccc2[nH]c1=O Show InChI InChI=1S/C18H22ClNO2S/c1-2-6-14-17(23(22)13-7-4-3-5-8-13)15-11-12(19)9-10-16(15)20-18(14)21/h9-11,13H,2-8H2,1H3,(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.38E+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)

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