BDBM2031 2,8-disubstituted dipyridodiazepinone 11::2-Chloro-5,11-dihydro-11-ethyl-8-(4-hydroxyphenyloxy)-methyl-5-methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one::5-chloro-2-ethyl-13-(4-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(COc3ccc(O)cc3)cnc12

InChI Key: InChIKey=VSOOMDQCUKVIFC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 2031   

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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM2031 (2,8-disubstituted dipyridodiazepinone 11 | 2-Chlor...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccc(O)cc3)cnc12 Show InChI InChI=1S/C21H19ClN4O3/c1-3-26-19-16(21(28)25(2)17-8-9-18(22)24-20(17)26)10-13(11-23-19)12-29-15-6-4-14(27)5-7-15/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	210	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
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM2031 (2,8-disubstituted dipyridodiazepinone 11 | 2-Chlor...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(COc3ccc(O)cc3)cnc12 Show InChI InChI=1S/C21H19ClN4O3/c1-3-26-19-16(21(28)25(2)17-8-9-18(22)24-20(17)26)10-13(11-23-19)12-29-15-6-4-14(27)5-7-15/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	210	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