BDBM1555 2-ethyl-9-methyl-5-(thiophen-2-yl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one::Dipyridodiazepinone deriv. 44

SMILES: CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cccs1

InChI Key: InChIKey=YFEJBNCFMFTPFP-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 = 1555   

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 (Y181C) (Human immunodeficiency virus type 1)	BDBM1555 (2-ethyl-9-methyl-5-(thiophen-2-yl)-2,4,9,15-tetraa...) Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cccs1 Show InChI InChI=1S/C18H16N4OS/c1-3-22-16-12(6-4-10-19-16)18(23)21(2)14-9-8-13(20-17(14)22)15-7-5-11-24-15/h4-11H,3H2,1-2H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair
HIV-1 Reverse Transcriptase (Human immunodeficiency virus type 1)	BDBM1555 (2-ethyl-9-methyl-5-(thiophen-2-yl)-2,4,9,15-tetraa...) Show SMILES CCN1c2nc(ccc2N(C)C(=O)c2cccnc12)-c1cccs1 Show InChI InChI=1S/C18H16N4OS/c1-3-22-16-12(6-4-10-19-16)18(23)21(2)14-9-8-13(20-17(14)22)15-7-5-11-24-15/h4-11H,3H2,1-2H3	PDB MMDB B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
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 38: 4830-8 (1995) Article DOI: 10.1021/jm00024a010 BindingDB Entry DOI: 10.7270/Q23B5XBJ
					More data for this Ligand-Target Pair