BDBM50408897 CHEMBL262003

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

InChI Key: InChIKey=PQSZHJDLSKTDSO-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 = 50408897   

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)	BDBM50408897 (CHEMBL262003) Show SMILES CCc1c(C)[nH]c(=O)c(NC(=O)CNC(=O)CNC(=O)CCCNC(=O)CCOCC2OC(CC2N=[N+]=[N-])n2cc(C)c(=O)[nH]c2=O)c1Cc1cc(C)cc(C)c1 Show InChI InChI=1S/C38H50N10O9/c1-6-26-24(5)43-37(54)35(27(26)15-25-13-21(2)12-22(3)14-25)44-33(52)18-42-32(51)17-41-30(49)8-7-10-40-31(50)9-11-56-20-29-28(46-47-39)16-34(57-29)48-19-23(4)36(53)45-38(48)55/h12-14,19,28-29,34H,6-11,15-18,20H2,1-5H3,(H,40,50)(H,41,49)(H,42,51)(H,43,54)(H,44,52)(H,45,53,55)	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	>1.00E+5	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