BDBM2029 2,8-disubstituted dipyridodiazepinone 9::2-Chloro-5,11-dihydro-11-ethyl-8-(2-hydroxyphenyloxy)-methyl-5-methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one::5-chloro-2-ethyl-13-(2-hydroxyphenoxymethyl)-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one

SMILES: CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3O)cnc12

InChI Key: InChIKey=DEISFYWLJQPQHD-UHFFFAOYSA-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 = 2029   

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)	BDBM2029 (2,8-disubstituted dipyridodiazepinone 9 | 2-Chloro...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3O)cnc12 Show InChI InChI=1S/C21H19ClN4O3/c1-3-26-19-14(21(28)25(2)15-8-9-18(22)24-20(15)26)10-13(11-23-19)12-29-17-7-5-4-6-16(17)27/h4-11,27H,3,12H2,1-2H3	PDB MMDB 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	7.8	22
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)	BDBM2029 (2,8-disubstituted dipyridodiazepinone 9 | 2-Chloro...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3O)cnc12 Show InChI InChI=1S/C21H19ClN4O3/c1-3-26-19-14(21(28)25(2)15-8-9-18(22)24-20(15)26)10-13(11-23-19)12-29-17-7-5-4-6-16(17)27/h4-11,27H,3,12H2,1-2H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank 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 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)	BDBM2029 (2,8-disubstituted dipyridodiazepinone 9 | 2-Chloro...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccccc3O)cnc12 Show InChI InChI=1S/C21H19ClN4O3/c1-3-26-19-14(21(28)25(2)15-8-9-18(22)24-20(15)26)10-13(11-23-19)12-29-17-7-5-4-6-16(17)27/h4-11,27H,3,12H2,1-2H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	7.8	22
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