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BDBM50123470 (3-Benzyl-phenyl)-(8-hydroxy-quinolin-7-yl)-methanone::(3-benzylphenyl)(8-hydroxyquinolin-7-yl)methanone::7-(3-benzylbenzoyl)quinolin-8-ol (Compound 7)::CHEMBL35842

SMILES: Oc1c(ccc2cccnc12)C(=O)c1cccc(Cc2ccccc2)c1

InChI Key: InChIKey=HISIYDZZYZHWFN-UHFFFAOYSA-N

Data: 5 IC50

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 5 hits for monomerid = 50123470   
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
HIV-1 Integrase


(Human immunodeficiency virus type 1)
BDBM50123470
PNG
((3-Benzyl-phenyl)-(8-hydroxy-quinolin-7-yl)-methan...)
Show SMILES Oc1c(ccc2cccnc12)C(=O)c1cccc(Cc2ccccc2)c1
Show InChI InChI=1S/C23H17NO2/c25-22(20-12-11-18-10-5-13-24-21(18)23(20)26)19-9-4-8-17(15-19)14-16-6-2-1-3-7-16/h1-13,15,26H,14H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Institute of Pharmacy, Nirma University, Ahmedabad, 382 481, India.



Assay Description
HIV-1 integrase inhibitory activity of compounds were determined using strand transferase inhibitory assay.


Chem Biol Drug Des 83: 154-66 (2014)


Article DOI: 10.1111/cbdd.12207
BindingDB Entry DOI: 10.7270/Q2QR4VSW
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50123470
PNG
((3-Benzyl-phenyl)-(8-hydroxy-quinolin-7-yl)-methan...)
Show SMILES Oc1c(ccc2cccnc12)C(=O)c1cccc(Cc2ccccc2)c1
Show InChI InChI=1S/C23H17NO2/c25-22(20-12-11-18-10-5-13-24-21(18)23(20)26)19-9-4-8-17(15-19)14-16-6-2-1-3-7-16/h1-13,15,26H,14H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit the strand transfer of the integration process catalyzed by HIV integrase


J Med Chem 46: 453-6 (2003)


Article DOI: 10.1021/jm025553u
BindingDB Entry DOI: 10.7270/Q24T6HRG
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50123470
PNG
((3-Benzyl-phenyl)-(8-hydroxy-quinolin-7-yl)-methan...)
Show SMILES Oc1c(ccc2cccnc12)C(=O)c1cccc(Cc2ccccc2)c1
Show InChI InChI=1S/C23H17NO2/c25-22(20-12-11-18-10-5-13-24-21(18)23(20)26)19-9-4-8-17(15-19)14-16-6-2-1-3-7-16/h1-13,15,26H,14H2
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



University of Cyprus

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


Bioorg Med Chem 17: 4806-18 (2009)


Article DOI: 10.1016/j.bmc.2009.04.058
BindingDB Entry DOI: 10.7270/Q2R49TKS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50123470
PNG
((3-Benzyl-phenyl)-(8-hydroxy-quinolin-7-yl)-methan...)
Show SMILES Oc1c(ccc2cccnc12)C(=O)c1cccc(Cc2ccccc2)c1
Show InChI InChI=1S/C23H17NO2/c25-22(20-12-11-18-10-5-13-24-21(18)23(20)26)19-9-4-8-17(15-19)14-16-6-2-1-3-7-16/h1-13,15,26H,14H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 370n/an/an/an/an/an/a



University of Houston

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


Bioorg Med Chem Lett 14: 1447-54 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.027
BindingDB Entry DOI: 10.7270/Q2B858PN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50123470
PNG
((3-Benzyl-phenyl)-(8-hydroxy-quinolin-7-yl)-methan...)
Show SMILES Oc1c(ccc2cccnc12)C(=O)c1cccc(Cc2ccccc2)c1
Show InChI InChI=1S/C23H17NO2/c25-22(20-12-11-18-10-5-13-24-21(18)23(20)26)19-9-4-8-17(15-19)14-16-6-2-1-3-7-16/h1-13,15,26H,14H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 370n/an/an/an/an/an/a



Università di Messina

Curated by ChEMBL


Assay Description
Strand transfer inhibitory activity against HIV-1 integrase


J Med Chem 48: 7084-8 (2005)


Article DOI: 10.1021/jm050549e
BindingDB Entry DOI: 10.7270/Q27W6BR1
More data for this
Ligand-Target Pair