null

SMILES: CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CS(=O)(=O)c3ccccc3)cnc12

InChI Key: InChIKey=JWDXFZMJSOKLBM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 2056   

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
Gag-Pol polyprotein [600-1027,R876K]/[600-1155] (Human immunodeficiency virus type 1)	BDBM2056 (13-[(benzenesulfonyl)methyl]-5-chloro-2-ethyl-9-me...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CS(=O)(=O)c3ccccc3)cnc12 Show InChI InChI=1S/C21H19ClN4O3S/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-30(28,29)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					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 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM2056 (13-[(benzenesulfonyl)methyl]-5-chloro-2-ethyl-9-me...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CS(=O)(=O)c3ccccc3)cnc12 Show InChI InChI=1S/C21H19ClN4O3S/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-30(28,29)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Inhibitory activity against HIV-1 Y181C reverse transcriptase.				J Med Chem 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y787L]/[600-1155,Y787L] (Human immunodeficiency virus type 1)	BDBM2056 (13-[(benzenesulfonyl)methyl]-5-chloro-2-ethyl-9-me...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CS(=O)(=O)c3ccccc3)cnc12 Show InChI InChI=1S/C21H19ClN4O3S/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-30(28,29)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					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 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [600-1027,Y780C]/[600-1155,Y780C] (Human immunodeficiency virus type 1)	BDBM2056 (13-[(benzenesulfonyl)methyl]-5-chloro-2-ethyl-9-me...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CS(=O)(=O)c3ccccc3)cnc12 Show InChI InChI=1S/C21H19ClN4O3S/c1-3-26-19-16(21(27)25(2)17-9-10-18(22)24-20(17)26)11-14(12-23-19)13-30(28,29)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					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 41: 2972-84 (1998) Article DOI: 10.1021/jm9707030 BindingDB Entry DOI: 10.7270/Q2J964K7
					More data for this Ligand-Target Pair