BDBM50408878 CHEMBL57590

SMILES: CCc1c(C)[nH]c(=O)c(NC(=O)CCCC(=O)NCCCCNC(=O)CCOCC2OC(CC2N=[N+]=[N-])n2cc(C)c(=O)[nH]c2=O)c1Cc1cc(C)cc(C)c1

InChI Key: InChIKey=QRJUYARVYJTXIC-UHFFFAOYSA-N

Data: 1 EC50

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 = 50408878   

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
Human immunodeficiency virus type 1 reverse transcriptase (Human immunodeficiency virus 1)	BDBM50408878 (CHEMBL57590) Show SMILES CCc1c(C)[nH]c(=O)c(NC(=O)CCCC(=O)NCCCCNC(=O)CCOCC2OC(CC2N=[N+]=[N-])n2cc(C)c(=O)[nH]c2=O)c1Cc1cc(C)cc(C)c1 Show InChI InChI=1S/C39H53N9O8/c1-6-28-26(5)43-38(53)36(29(28)19-27-17-23(2)16-24(3)18-27)44-34(51)11-9-10-32(49)41-13-7-8-14-42-33(50)12-15-55-22-31-30(46-47-40)20-35(56-31)48-21-25(4)37(52)45-39(48)54/h16-18,21,30-31,35H,6-15,19-20,22H2,1-5H3,(H,41,49)(H,42,50)(H,43,53)(H,44,51)(H,45,52,54)	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a
UMR 176 CNRS/Institut Curie Curated by ChEMBL					Assay Description Effective concentration required to achieve 50% inhibition of HIV-1 LAI replication in human T4 lymphoblastoid CEM-SS cells.				J Med Chem 43: 1927-39 (2000) BindingDB Entry DOI: 10.7270/Q2WS8VFT
					More data for this Ligand-Target Pair