BDBM50137100 1-(7-Butyrylamino-5,8-dioxo-5,8-dihydro-quinolin-2-yl)-9H-beta-carboline-3-carboxylic acid butyl ester::7-N-n-Butyryldemethyllavendamycin n-Butyl Ester::CHEMBL153896::butyl 1-(7-butyramido-5,8-dioxo-5,8-dihydroquinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate

SMILES: CCCCOC(=O)c1cc2c3ccccc3[nH]c2c(n1)-c1ccc2C(=O)C=C(NC(=O)CCC)C(=O)c2n1

InChI Key: InChIKey=FIKQNFMTYWMOLJ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50137100   

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
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50137100 (1-(7-Butyrylamino-5,8-dioxo-5,8-dihydro-quinolin-2...) Show SMILES CCCCOC(=O)c1cc2c3ccccc3[nH]c2c(n1)-c1ccc2C(=O)C=C(NC(=O)CCC)C(=O)c2n1 |t:29| Show InChI InChI=1S/C29H26N4O5/c1-3-5-13-38-29(37)22-14-18-16-9-6-7-10-19(16)31-25(18)27(33-22)20-12-11-17-23(34)15-21(28(36)26(17)32-20)30-24(35)8-4-2/h6-7,9-12,14-15,31H,3-5,8,13H2,1-2H3,(H,30,35)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ball State University Curated by ChEMBL					Assay Description Inhibitory activity against HIV-reverse transcriptase (HIV-RT)				J Med Chem 46: 5773-80 (2003) Article DOI: 10.1021/jm0304414 BindingDB Entry DOI: 10.7270/Q2QC02WD
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