BDBM2042 2,8-disubstituted dipyridodiazepinone 25::2-Chloro-5,11-dihydro-11-ethyl-8-(5-indolyloxy)methyl-5-methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one::5-chloro-2-ethyl-13-[(1H-indol-5-yloxy)methyl]-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: CCN1c2ncc(COc3ccc4[nH]ccc4c3)cc2C(=O)N(C)c2ccc(Cl)nc12

InChI Key: InChIKey=VLBKMGQYEGOGLA-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 = 2042   

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
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM2042 (2,8-disubstituted dipyridodiazepinone 25 | 2-Chlor...) Show SMILES CCN1c2ncc(COc3ccc4[nH]ccc4c3)cc2C(=O)N(C)c2ccc(Cl)nc12 Show InChI InChI=1S/C23H20ClN5O2/c1-3-29-21-17(23(30)28(2)19-6-7-20(24)27-22(19)29)10-14(12-26-21)13-31-16-4-5-18-15(11-16)8-9-25-18/h4-12,25H,3,13H2,1-2H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	7.8	22
Pfizer 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 51: 3804-13 (2008) Article DOI: 10.1021/jm7015057 BindingDB Entry DOI: 10.7270/Q2DN437S
					More data for this Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM2042 (2,8-disubstituted dipyridodiazepinone 25 | 2-Chlor...) Show SMILES CCN1c2ncc(COc3ccc4[nH]ccc4c3)cc2C(=O)N(C)c2ccc(Cl)nc12 Show InChI InChI=1S/C23H20ClN5O2/c1-3-29-21-17(23(30)28(2)19-6-7-20(24)27-22(19)29)10-14(12-26-21)13-31-16-4-5-18-15(11-16)8-9-25-18/h4-12,25H,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	310	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 Mutant (Y181C) (Human immunodeficiency virus type 1)	BDBM2042 (2,8-disubstituted dipyridodiazepinone 25 | 2-Chlor...) Show SMILES CCN1c2ncc(COc3ccc4[nH]ccc4c3)cc2C(=O)N(C)c2ccc(Cl)nc12 Show InChI InChI=1S/C23H20ClN5O2/c1-3-29-21-17(23(30)28(2)19-6-7-20(24)27-22(19)29)10-14(12-26-21)13-31-16-4-5-18-15(11-16)8-9-25-18/h4-12,25H,3,13H2,1-2H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	7.8	22
Pfizer 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 51: 3804-13 (2008) Article DOI: 10.1021/jm7015057 BindingDB Entry DOI: 10.7270/Q2DN437S
					More data for this Ligand-Target Pair