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BDBM50498818 CHEMBL3629512

SMILES: CC1=N[C@H](Cc2ccccc2)C(=O)N(Cc2ccc(cc2)C2CCCCC2)c2cc(ccc12)C(=O)OC(C)(C)C

InChI Key: InChIKey=ZMHQDQLYROTXBM-WJOKGBTCSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50498818   
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))		BDBM50498818
PNG
(CHEMBL3629512)
Show SMILES CC1=N[C@H](Cc2ccccc2)C(=O)N(Cc2ccc(cc2)C2CCCCC2)c2cc(ccc12)C(=O)OC(C)(C)C |r,t:1|
Show InChI InChI=1S/C35H40N2O3/c1-24-30-20-19-29(34(39)40-35(2,3)4)22-32(30)37(33(38)31(36-24)21-25-11-7-5-8-12-25)23-26-15-17-28(18-16-26)27-13-9-6-10-14-27/h5,7-8,11-12,15-20,22,27,31H,6,9-10,13-14,21,23H2,1-4H3/t31-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 1.31E+5n/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