BDBM10231 5-chloro-2-ethyl-7-methyl-13-[(pyrimidin-5-ylsulfanyl)methyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one::8-heteroarylthiomethyldipyridodiazepinone deriv. 13

SMILES: CCN1c2nc(Cl)cc(C)c2NC(=O)c2cc(CSc3cncnc3)cnc12

InChI Key: InChIKey=UWBOVNUZRAIRLM-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 = 10231   

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 Mutant (K103N/Y181C) (Human immunodeficiency virus type 1)	BDBM10231 (5-chloro-2-ethyl-7-methyl-13-[(pyrimidin-5-ylsulfa...) Show SMILES CCN1c2nc(Cl)cc(C)c2NC(=O)c2cc(CSc3cncnc3)cnc12 Show InChI InChI=1S/C19H17ClN6OS/c1-3-26-17-14(19(27)25-16-11(2)4-15(20)24-18(16)26)5-12(6-23-17)9-28-13-7-21-10-22-8-13/h4-8,10H,3,9H2,1-2H3,(H,25,27)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	7.4	37
Boehringer Ingelheim (Canada) Ltd.					Assay Description IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe...				Bioorg Med Chem Lett 14: 739-42 (2004) Article DOI: 10.1016/j.bmcl.2003.11.049 BindingDB Entry DOI: 10.7270/Q2C53J2D
					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM10231 (5-chloro-2-ethyl-7-methyl-13-[(pyrimidin-5-ylsulfa...) Show SMILES CCN1c2nc(Cl)cc(C)c2NC(=O)c2cc(CSc3cncnc3)cnc12 Show InChI InChI=1S/C19H17ClN6OS/c1-3-26-17-14(19(27)25-16-11(2)4-15(20)24-18(16)26)5-12(6-23-17)9-28-13-7-21-10-22-8-13/h4-8,10H,3,9H2,1-2H3,(H,25,27)	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	7.4	37
Boehringer Ingelheim (Canada) Ltd.					Assay Description IC50 values for wild-type and mutant RTs were obtained from a scintillation proximity assay using poly rC/biotin-dG15 and 3H-dGTP. Each value represe...				Bioorg Med Chem Lett 14: 739-42 (2004) Article DOI: 10.1016/j.bmcl.2003.11.049 BindingDB Entry DOI: 10.7270/Q2C53J2D
					More data for this Ligand-Target Pair