BindingDB logo
myBDB logout

BDBM50408887 CHEMBL418294

SMILES: CCc1c(C)[nH]c(=O)c(NC(=O)CCCCCCCCC(O)=O)c1Cc1cc(C)cc(C)c1

InChI Key: InChIKey=OZHRODXTOKPOOU-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 = 50408887   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50408887
PNG
(CHEMBL418294)
Show SMILES CCc1c(C)[nH]c(=O)c(NC(=O)CCCCCCCCC(O)=O)c1Cc1cc(C)cc(C)c1
Show InChI InChI=1S/C27H38N2O4/c1-5-22-20(4)28-27(33)26(23(22)17-21-15-18(2)14-19(3)16-21)29-24(30)12-10-8-6-7-9-11-13-25(31)32/h14-16H,5-13,17H2,1-4H3,(H,28,33)(H,29,30)(H,31,32)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 7.00E+4n/an/an/an/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