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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 = 'BDBM50008679'   
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)		BDBM50008679
PNG
(4-[2-(9-Aminomethyl-6,10-dioxo-octahydro-pyridazin...)
Show SMILES CCC(C)[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)CC1CCCN2N1C(=O)C(CN)CCC2=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C38H59N7O7/c1-3-24(2)35(37(51)42-30(36(40)50)20-26-13-8-5-9-14-26)43-33(48)22-31(46)29(19-25-11-6-4-7-12-25)41-32(47)21-28-15-10-18-44-34(49)17-16-27(23-39)38(52)45(28)44/h5,8-9,13-14,24-25,27-31,35,46H,3-4,6-7,10-12,15-23,39H2,1-2H3,(H2,40,50)(H,41,47)(H,42,51)(H,43,48)/t24?,27?,28?,29-,30-,31-,35-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 26n/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