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BDBM50498824 CHEMBL3629505

SMILES: CC(C)C[C@H]1N=C(C)c2ccc(cc2N(Cc2ccc(cc2)C2CCCCC2)C1=O)C(=O)OC(C)(C)C

InChI Key: InChIKey=MYVDTDSCLGKBKI-MUUNZHRXSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50498824   
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))		BDBM50498824
PNG
(CHEMBL3629505)
Show SMILES CC(C)C[C@H]1N=C(C)c2ccc(cc2N(Cc2ccc(cc2)C2CCCCC2)C1=O)C(=O)OC(C)(C)C |r,t:5|
Show InChI InChI=1S/C32H42N2O3/c1-21(2)18-28-30(35)34(20-23-12-14-25(15-13-23)24-10-8-7-9-11-24)29-19-26(31(36)37-32(4,5)6)16-17-27(29)22(3)33-28/h12-17,19,21,24,28H,7-11,18,20H2,1-6H3/t28-/m1/s1
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 6.50E+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