BDBM2017 2-(4-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl-6Hdipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one::2-ethyl-9-methyl-5-{1H-pyrrolo[3,2-b]pyridin-3-yl}-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one::2-indolyl dipyridodiazepinone 7d

SMILES: CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2cccnc12

InChI Key: InChIKey=HUDKKUOYZHDRQE-UHFFFAOYSA-N

Data: 3 Other

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 = 2017   

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)	BDBM2017 (2-(4-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...) Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2cccnc12 Show InChI InChI=1S/C21H18N6O/c1-3-27-19-13(6-4-11-23-19)21(28)26(2)17-9-8-15(25-20(17)27)14-12-24-16-7-5-10-22-18(14)16/h4-12,24H,3H2,1-2H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	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 40: 2430-3 (1997) Article DOI: 10.1021/jm960837y BindingDB Entry DOI: 10.7270/Q2P26W9K
					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y188L) (Human immunodeficiency virus type 1)	BDBM2017 (2-(4-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...) Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2cccnc12 Show InChI InChI=1S/C21H18N6O/c1-3-27-19-13(6-4-11-23-19)21(28)26(2)17-9-8-15(25-20(17)27)14-12-24-16-7-5-10-22-18(14)16/h4-12,24H,3H2,1-2H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	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 40: 2430-3 (1997) Article DOI: 10.1021/jm960837y BindingDB Entry DOI: 10.7270/Q2P26W9K
					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase Mutant (Y181C) (Human immunodeficiency virus type 1)	BDBM2017 (2-(4-Azaindol-3-yl)-5,11-dihydro-11-ethyl-5-methyl...) Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1c[nH]c2cccnc12 Show InChI InChI=1S/C21H18N6O/c1-3-27-19-13(6-4-11-23-19)21(28)26(2)17-9-8-15(25-20(17)27)14-12-24-16-7-5-10-22-18(14)16/h4-12,24H,3H2,1-2H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	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 40: 2430-3 (1997) Article DOI: 10.1021/jm960837y BindingDB Entry DOI: 10.7270/Q2P26W9K
					More data for this Ligand-Target Pair