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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 = 'BDBM50086883'   
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)		BDBM50086883
PNG
(2-{2-[2-(8-Carbamoylmethyl-6,9-dioxo-2-oxa-7,10-di...)
Show SMILES CCC(C)C(NC(=O)C(Cc1ccccc1)NC[C@H](O)[C@@H]1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2)C(=O)NC(C(C)C)C(N)=O
Show InChI InChI=1S/C38H55N7O8/c1-5-23(4)34(38(52)44-33(22(2)3)35(40)49)45-36(50)28(19-24-10-7-6-8-11-24)41-21-30(46)27-18-25-13-15-26(16-14-25)53-17-9-12-32(48)42-29(20-31(39)47)37(51)43-27/h6-8,10-11,13-16,22-23,27-30,33-34,41,46H,5,9,12,17-21H2,1-4H3,(H2,39,47)(H2,40,49)(H,42,48)(H,43,51)(H,44,52)(H,45,50)/t23?,27-,28?,29-,30-,33?,34?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars
PubMed
 12n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
binding affinity towards HIV-1 Protease enzyme

J Med Chem 43: 1271-81 (2001)


BindingDB Entry DOI: 10.7270/Q23779F5
More data for this
Ligand-Target Pair