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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Reverse transcriptase/RNaseH' and Ligand = 'BDBM50408894'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)		BDBM50408894
PNG
(CHEMBL292392)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CCC(=O)NCCCCCCCCCCN)c1=O
Show InChI InChI=1S/C23H39N7O5/c1-17-15-30(21-14-18(27-28-25)19(16-31)35-21)23(34)29(22(17)33)13-10-20(32)26-12-9-7-5-3-2-4-6-8-11-24/h15,18-19,21,31H,2-14,16,24H2,1H3,(H,26,32)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/an/an/a 4.20E+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