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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50498852'   
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
Protease


(Human immunodeficiency virus 1 (HIV-1))		BDBM50498852
PNG
(CHEMBL3629507)
Show SMILES CC(C)C[C@H]1N=C(c2ccccc2)c2ccc(cc2N(Cc2ccc(cc2)C2CCCCC2)C1=O)C(=O)OC(C)(C)C |r,t:5|
Show InChI InChI=1S/C37H44N2O3/c1-25(2)22-32-35(40)39(24-26-16-18-28(19-17-26)27-12-8-6-9-13-27)33-23-30(36(41)42-37(3,4)5)20-21-31(33)34(38-32)29-14-10-7-11-15-29/h7,10-11,14-21,23,25,27,32H,6,8-9,12-13,22,24H2,1-5H3/t32-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 8.80E+4n/an/an/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as subst...

Bioorg Med Chem 23: 7095-109 (2015)


Article DOI: 10.1016/j.bmc.2015.09.002
BindingDB Entry DOI: 10.7270/Q2JH3Q5T
More data for this
Ligand-Target Pair