null

SMILES: CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccnc(c3)C(F)(F)F)cnc12

InChI Key: InChIKey=BIKSKZHGVCCQDN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 2048   

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)	BDBM2048 (2,8-disubstituted dipyridodiazepinone 31 | 2-Chlor...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccnc(c3)C(F)(F)F)cnc12 Show InChI InChI=1S/C21H17ClF3N5O2/c1-3-30-18-14(20(31)29(2)15-4-5-17(22)28-19(15)30)8-12(10-27-18)11-32-13-6-7-26-16(9-13)21(23,24)25/h4-10H,3,11H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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)	BDBM2048 (2,8-disubstituted dipyridodiazepinone 31 | 2-Chlor...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccnc(c3)C(F)(F)F)cnc12 Show InChI InChI=1S/C21H17ClF3N5O2/c1-3-30-18-14(20(31)29(2)15-4-5-17(22)28-19(15)30)8-12(10-27-18)11-32-13-6-7-26-16(9-13)21(23,24)25/h4-10H,3,11H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Inhibitory activity against HIV-1 wild-type 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,Y780C]/[600-1155,Y780C] (Human immunodeficiency virus type 1)	BDBM2048 (2,8-disubstituted dipyridodiazepinone 31 | 2-Chlor...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccnc(c3)C(F)(F)F)cnc12 Show InChI InChI=1S/C21H17ClF3N5O2/c1-3-30-18-14(20(31)29(2)15-4-5-17(22)28-19(15)30)8-12(10-27-18)11-32-13-6-7-26-16(9-13)21(23,24)25/h4-10H,3,11H2,1-2H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	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