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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50008681'   
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
Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM50008681
PNG
(4-{2-[9-(Benzylamino-methyl)-6,10-dioxo-1,4,7,8,9,...)
Show SMILES CCC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)CC1C=CCN2N1C(=O)C(CNCc1ccccc1)CCC2=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |c:21|
Show InChI InChI=1S/C42H59N7O7/c1-5-28(4)39(41(55)46-34(40(43)54)22-29-13-8-6-9-14-29)47-37(52)24-35(50)33(21-27(2)3)45-36(51)23-32-17-12-20-48-38(53)19-18-31(42(56)49(32)48)26-44-25-30-15-10-7-11-16-30/h6-17,27-28,31-35,39,44,50H,5,18-26H2,1-4H3,(H2,43,54)(H,45,51)(H,46,55)(H,47,52)/t28?,31?,32?,33-,34-,35-,39-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Concentration required to inhibit HIV-1 protease activity calculated from plots of % inhibition vs inhibitor concentration

J Med Chem 34: 3395-9 (1992)


BindingDB Entry DOI: 10.7270/Q2Z3208P
More data for this
Ligand-Target Pair