BDBM2028 13-{[(3-aminophenyl)amino]methyl}-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one::2,8-disubstituted dipyridodiazepinone 8::8-(3-Aminophenylamino)methyl-2-chloro-5,11-dihydro-11-ethyl-5-methyl-6H-dipyrido[3,2-b:2 ,3 -e][1,4]diazepin-6-one

SMILES: CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CNc3cccc(N)c3)cnc12

InChI Key: InChIKey=ZBAIJDRMNLCRIN-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 = 2028   

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)	BDBM2028 (13-{[(3-aminophenyl)amino]methyl}-5-chloro-2-ethyl...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CNc3cccc(N)c3)cnc12 Show InChI InChI=1S/C21H21ClN6O/c1-3-28-19-16(21(29)27(2)17-7-8-18(22)26-20(17)28)9-13(12-25-19)11-24-15-6-4-5-14(23)10-15/h4-10,12,24H,3,11,23H2,1-2H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM2028 (13-{[(3-aminophenyl)amino]methyl}-5-chloro-2-ethyl...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CNc3cccc(N)c3)cnc12 Show InChI InChI=1S/C21H21ClN6O/c1-3-28-19-16(21(29)27(2)17-7-8-18(22)26-20(17)28)9-13(12-25-19)11-24-15-6-4-5-14(23)10-15/h4-10,12,24H,3,11,23H2,1-2H3	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 Y181C 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)	BDBM2028 (13-{[(3-aminophenyl)amino]methyl}-5-chloro-2-ethyl...) Show SMILES CCN1c2nc(Cl)ccc2N(C)C(=O)c2cc(CNc3cccc(N)c3)cnc12 Show InChI InChI=1S/C21H21ClN6O/c1-3-28-19-16(21(29)27(2)17-7-8-18(22)26-20(17)28)9-13(12-25-19)11-24-15-6-4-5-14(23)10-15/h4-10,12,24H,3,11,23H2,1-2H3	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