BDBM2034 2,8-disubstituted dipyridodiazepinone 16::2-Chloro-5,11-dihydro-11-ethyl-8-((3-(methoxycarbonyl)phenyloxy)methyl-5-methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one::methyl 3-({5-chloro-2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl}methoxy)benzoate

SMILES: CCN1c2ncc(COc3cccc(c3)C(=O)OC)cc2C(=O)N(C)c2ccc(Cl)nc12

InChI Key: InChIKey=PEGMEQCRCVOFJM-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 = 2034   

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)	BDBM2034 (2,8-disubstituted dipyridodiazepinone 16 | 2-Chlor...) Show SMILES CCN1c2ncc(COc3cccc(c3)C(=O)OC)cc2C(=O)N(C)c2ccc(Cl)nc12 Show InChI InChI=1S/C23H21ClN4O4/c1-4-28-20-17(22(29)27(2)18-8-9-19(24)26-21(18)28)10-14(12-25-20)13-32-16-7-5-6-15(11-16)23(30)31-3/h5-12H,4,13H2,1-3H3	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	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)	BDBM2034 (2,8-disubstituted dipyridodiazepinone 16 | 2-Chlor...) Show SMILES CCN1c2ncc(COc3cccc(c3)C(=O)OC)cc2C(=O)N(C)c2ccc(Cl)nc12 Show InChI InChI=1S/C23H21ClN4O4/c1-4-28-20-17(22(29)27(2)18-8-9-19(24)26-21(18)28)10-14(12-25-20)13-32-16-7-5-6-15(11-16)23(30)31-3/h5-12H,4,13H2,1-3H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	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