BindingDB logo
myBDB logout

null

SMILES: OC(c1ccccc1)C1(c2ccccc2)C23c4c5c6c7c8c9c(c%10c%11c2c2c4c4c%12c5c5c6c6c8c8c%13c9c9c%10c%10c%11c%11c2c2c4c4c%12c%12c5c5c6c8c6c8c%13c9c9c%10c%10c%11c2c2c4c4c%12c5c6c5c8c9c%10c2c45)C137

InChI Key: InChIKey=JEAJMENCPWVAGK-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50065096   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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)		BDBM50065096
PNG
(CHEMBL409633 | [3'-Phenyl-3'(1-hydroxybenzyl)-1,2-...)
Show SMILES OC(c1ccccc1)C1(c2ccccc2)C23c4c5c6c7c8c9c(c%10c%11c2c2c4c4c%12c5c5c6c6c8c8c%13c9c9c%10c%10c%11c%11c2c2c4c4c%12c%12c5c5c6c8c6c8c%13c9c9c%10c%10c%11c2c2c4c4c%12c5c6c5c8c9c%10c2c45)C137 |(10.98,-3.09,;10.98,-4.62,;9.66,-5.39,;8.33,-4.61,;7.01,-5.38,;7.01,-6.91,;8.35,-7.66,;9.66,-6.9,;12.31,-5.39,;13.11,-4.08,;14.63,-4.11,;15.42,-2.79,;14.7,-1.47,;13.18,-1.45,;12.37,-2.74,;12.72,-7.15,;14.68,-6.83,;16.09,-7.38,;15.71,-8.35,;13.9,-8.8,;13.5,-10.56,;11.88,-11.2,;11.13,-9.86,;10.39,-10.37,;10.77,-9.42,;11.9,-7.88,;13.25,-7.72,;14.9,-7.1,;16.59,-7.71,;18,-8.12,;17.8,-7.87,;18.58,-9.14,;17.12,-9.54,;16.72,-11.33,;14.94,-11.78,;14.8,-13.78,;12.99,-14.48,;11.63,-13.06,;10.92,-13.54,;10.24,-12.21,;10.51,-12.39,;10.84,-10.65,;12.13,-10.42,;13.32,-8.97,;14.99,-9.56,;16.61,-8.94,;18.07,-10.12,;18.92,-9.61,;19.67,-10.95,;19.6,-10.81,;19,-12.62,;17.65,-12.83,;16.5,-14.36,;16.51,-15.54,;14.9,-16.17,;13.2,-15.66,;11.84,-15.08,;12.11,-15.24,;11.44,-13.92,;12.69,-13.68,;13.04,-11.94,;14.82,-11.41,;16.26,-12.62,;17.86,-11.99,;18.51,-13.32,;19.37,-12.81,;18.98,-13.8,;17.76,-15.27,;16.94,-15.77,;15.17,-16.31,;13.74,-15.86,;14.12,-14.9,;15.92,-14.36,;17.32,-14.78,;12.3,-8.21,)|
Show InChI InChI=1S/C74H12O/c75-71(11-7-3-1-4-8-11)72(12-9-5-2-6-10-12)73-67-59-51-41-31-23-15-13-14-17-21-19(15)27-35-29(21)39-33-25(17)26-18(14)22-20-16(13)24(23)32-38-28(20)36-30(22)40-34(26)44-43(33)53-47(39)57-49(35)55(45(51)37(27)31)63(67)65(57)69-61(53)62-54(44)48(40)58-50(36)56-46(38)52(42(32)41)60(59)68(73)64(56)66(58)70(62)74(69,72)73/h1-10,71,75H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 103n/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