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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'HIV-1 protease' and Ligand = 'BDBM36653'   
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
HIV-1 protease


(Human immunodeficiency virus)		BDBM36653
PNG
(3-alkylaminoindazole cyclic urea, (n-Pr))
Show SMILES CCCNc1n[nH]c2ccc(CN3[C@H](Cc4ccccc4)[C@H](O)[C@@H](O)[C@@H](Cc4ccccc4)N(Cc4ccc5[nH]nc(NCCC)c5c4)C3=O)cc12 |r|
Show InChI InChI=1S/C41H48N8O3/c1-3-19-42-39-31-21-29(15-17-33(31)44-46-39)25-48-35(23-27-11-7-5-8-12-27)37(50)38(51)36(24-28-13-9-6-10-14-28)49(41(48)52)26-30-16-18-34-32(22-30)40(47-45-34)43-20-4-2/h5-18,21-22,35-38,50-51H,3-4,19-20,23-26H2,1-2H3,(H2,42,44,46)(H2,43,45,47)/t35-,36-,37+,38+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
 0.230n/an/an/an/an/an/a5.5n/a



DuPont Merck Pharmaceutical Company



Assay Description
Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.

Chem Biol 5: 597-608 (1998)


Article DOI: 10.1016/s1074-5521(98)90117-x
BindingDB Entry DOI: 10.7270/Q2R78CK2
More data for this
Ligand-Target Pair