BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50065094'   
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)
BDBM50065094
PNG
(CHEMBL440623 | [(cis,trans-3',6'-Diisopropyl-4'-hy...)
Show SMILES CC(C)C1CC(O)C(C(C)C)C23c4c5c6c7c8c9c(c%10c%11c2c2c4c4c%12c5c5c6c6c8c8c%13c9c9c%10c%10c%11c%11c2c2c4c4c%12c%12c5c5c6c8c6c8c%13c9c9c%10c%10c%11c2c2c4c4c%12c5c6c5c8c9c%10c2c45)C137 |(18.44,-11.99,;17.16,-11.38,;15.98,-12.19,;17.05,-9.96,;18.26,-8.98,;18.27,-7.44,;19.5,-6.74,;17.04,-6.73,;17.03,-5.3,;18.26,-4.57,;15.78,-4.59,;15.8,-7.45,;15.23,-6.52,;14.66,-7.42,;14.7,-9.2,;15.26,-10.1,;14.42,-11.56,;14.46,-11.58,;15.33,-10.17,;14.87,-9.31,;14.74,-7.54,;15.36,-6.58,;14.6,-4.94,;14.4,-5.03,;12.9,-4.55,;12.33,-5.44,;13.23,-6.89,;12.34,-8.33,;13.26,-9.76,;12.38,-11.23,;12.95,-12.1,;11.54,-12.66,;11.58,-12.69,;13.08,-12.25,;12.49,-11.51,;13.47,-9.94,;12.4,-8.4,;13.31,-7,;12.45,-5.5,;13.03,-4.36,;11.47,-3.95,;11.47,-4.03,;10.05,-4.61,;10.56,-5.47,;9.67,-6.93,;10.58,-8.35,;9.7,-9.79,;10.62,-11.24,;10.09,-12.12,;8.64,-11.6,;8.68,-11.6,;10.13,-12.15,;10.61,-11.34,;9.74,-9.85,;10.62,-8.4,;9.76,-6.92,;10.67,-5.52,;10.09,-4.61,;8.6,-5.08,;8.62,-5.18,;7.71,-6.63,;8.27,-7.49,;8.27,-9.26,;7.75,-10.18,;7.17,-9.31,;7.75,-10.21,;8.23,-9.37,;8.1,-7.49,;7.49,-6.5,;7.06,-7.54,;15.82,-9.25,)|
Show InChI InChI=1S/C70H20O/c1-6(2)8-5-9(71)64(7(3)4)70-67-60-54-44-36-26-18-14-11-10-12-16(18)24-32(26)46(54)52-42-34(24)28-20(12)21-13(10)17-19-15(11)23-22(14)30(36)40-41-31(23)37-27(19)33-25(17)35-29(21)39-38(28)48(42)56-57-49(39)43(35)53-47(33)55-45(37)51(41)63(62(67)50(40)44)68(70)61(55)59(53)66(57)69(8,70)65(56)58(52)60/h6-9,64,71H,5H2,1-4H3
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
150n/an/an/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Binding affinity towards HIV-1 Protease


J Med Chem 41: 2424-9 (1998)


Article DOI: 10.1021/jm970689r
BindingDB Entry DOI: 10.7270/Q2DV1KJJ
More data for this
Ligand-Target Pair