BDBM5117 Methyl 5-isopropyl-3-methyl-2-{[(3-nitrophenyl)-sulfonyl]imino}-2,3-dihydro-1,3-thiazole-4-carboxylate::methyl 3-methyl-2-[(3-nitrobenzene)sulfonamido]-5-(propan-2-yl)-2,3-dihydro-1,3-thiazole-4-carboxylate::thiazolidenebenzenesulfonamide deriv. 17j

SMILES: COC(=O)c1c(s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C)C(C)C

InChI Key: InChIKey=LFGXXVVLMPMFNY-NXVVXOECSA-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 = 5117   

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)	BDBM5117 (Methyl 5-isopropyl-3-methyl-2-{[(3-nitrophenyl)-su...) Show SMILES COC(=O)c1c(s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C)C(C)C Show InChI InChI=1S/C15H17N3O6S2/c1-9(2)13-12(14(19)24-4)17(3)15(25-13)16-26(22,23)11-7-5-6-10(8-11)18(20)21/h5-9H,1-4H3/b16-15-	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd					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.				Bioorg Med Chem 12: 6171-82 (2004) Article DOI: 10.1016/j.bmc.2004.08.050 BindingDB Entry DOI: 10.7270/Q23R0R24
					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C) (Human immunodeficiency virus type 1)	BDBM5117 (Methyl 5-isopropyl-3-methyl-2-{[(3-nitrophenyl)-su...) Show SMILES COC(=O)c1c(s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C)C(C)C Show InChI InChI=1S/C15H17N3O6S2/c1-9(2)13-12(14(19)24-4)17(3)15(25-13)16-26(22,23)11-7-5-6-10(8-11)18(20)21/h5-9H,1-4H3/b16-15-	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd					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.				Bioorg Med Chem 12: 6171-82 (2004) Article DOI: 10.1016/j.bmc.2004.08.050 BindingDB Entry DOI: 10.7270/Q23R0R24
					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (K103N) (Human immunodeficiency virus type 1)	BDBM5117 (Methyl 5-isopropyl-3-methyl-2-{[(3-nitrophenyl)-su...) Show SMILES COC(=O)c1c(s\c(=N/S(=O)(=O)c2cccc(c2)[N+]([O-])=O)n1C)C(C)C Show InChI InChI=1S/C15H17N3O6S2/c1-9(2)13-12(14(19)24-4)17(3)15(25-13)16-26(22,23)11-7-5-6-10(8-11)18(20)21/h5-9H,1-4H3/b16-15-	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yamanouchi Pharmaceutical Co. Ltd					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.				Bioorg Med Chem 12: 6171-82 (2004) Article DOI: 10.1016/j.bmc.2004.08.050 BindingDB Entry DOI: 10.7270/Q23R0R24
					More data for this Ligand-Target Pair