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BDBM50051642 2-[3,4-dichlorophenyl(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)methyl]-3-hydroxy-1,4-dihydro-1,4-naphthalenedione::CHEMBL312984::NSC-117275

SMILES: Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=CYXYQULXEWUUPN-VZCXRCSSSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50051642   
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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051642
PNG
(2-[3,4-dichlorophenyl(3-hydroxy-1,4-dioxo-1,4-dihy...)
Show SMILES Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H14Cl2O6/c28-17-10-9-12(11-18(17)29)19(20-22(30)13-5-1-3-7-15(13)24(32)26(20)34)21-23(31)14-6-2-4-8-16(14)25(33)27(21)35/h1-11,30,32,34H/b21-19-
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.00E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50051642
PNG
(2-[3,4-dichlorophenyl(3-hydroxy-1,4-dioxo-1,4-dihy...)
Show SMILES Oc1c(O)c2ccccc2c(O)c1C(=C1C(=O)C(=O)c2ccccc2C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H14Cl2O6/c28-17-10-9-12(11-18(17)29)19(20-22(30)13-5-1-3-7-15(13)24(32)26(20)34)21-23(31)14-6-2-4-8-16(14)25(33)27(21)35/h1-11,30,32,34H/b21-19-
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.20E+4n/an/an/an/an/an/a



National Cancer Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


J Med Chem 39: 2472-81 (1996)


Article DOI: 10.1021/jm960074e
BindingDB Entry DOI: 10.7270/Q2DR2W5P
More data for this
Ligand-Target Pair