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BDBM50484737 CHEMBL1957071

SMILES: COC(=O)c1cccc(c1)-c1ccc(C[C@H](NC(=O)O[C@H]2CCOC2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)cc1

InChI Key: InChIKey=FGXQRHZXOSPSCL-RUHGTMQNSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50484737   
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
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50484737
PNG
(CHEMBL1957071)
Show SMILES COC(=O)c1cccc(c1)-c1ccc(C[C@H](NC(=O)O[C@H]2CCOC2)[C@H](O)CN(CC(C)C)S(=O)(=O)c2ccc(OC)cc2)cc1 |r|
Show InChI InChI=1S/C34H42N2O9S/c1-23(2)20-36(46(40,41)30-14-12-28(42-3)13-15-30)21-32(37)31(35-34(39)45-29-16-17-44-22-29)18-24-8-10-25(11-9-24)26-6-5-7-27(19-26)33(38)43-4/h5-15,19,23,29,31-32,37H,16-18,20-22H2,1-4H3,(H,35,39)/t29-,31-,32+/m0/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.60n/an/an/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of HIV1 protease using Arg-Glu(EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-Lys(DABCYL)- Arg as substrate for 20 to 30 mins by FRET analysis

Bioorg Med Chem Lett 22: 1976-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.037
BindingDB Entry DOI: 10.7270/Q2V69ND3
More data for this
Ligand-Target Pair