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SMILES: COc1cccc(NC(=O)c2sc3[nH]c(=O)c(cc3c2N)C(O)=O)c1

InChI Key: InChIKey=IBSOAMDEMHNLOZ-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 2 hits for monomerid = 50477999   
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
Integrase


(Human immunodeficiency virus 1)
BDBM50477999
PNG
(CHEMBL260960)
Show SMILES COc1cccc(NC(=O)c2sc3[nH]c(=O)c(cc3c2N)C(O)=O)c1
Show InChI InChI=1S/C16H13N3O5S/c1-24-8-4-2-3-7(5-8)18-14(21)12-11(17)9-6-10(16(22)23)13(20)19-15(9)25-12/h2-6H,17H2,1H3,(H,18,21)(H,19,20)(H,22,23)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 82n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase 3'-end processing activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50477999
PNG
(CHEMBL260960)
Show SMILES COc1cccc(NC(=O)c2sc3[nH]c(=O)c(cc3c2N)C(O)=O)c1
Show InChI InChI=1S/C16H13N3O5S/c1-24-8-4-2-3-7(5-8)18-14(21)12-11(17)9-6-10(16(22)23)13(20)19-15(9)25-12/h2-6H,17H2,1H3,(H,18,21)(H,19,20)(H,22,23)
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 43n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of HIV1 integrase strand transfer activity


J Med Chem 51: 1136-44 (2008)


Article DOI: 10.1021/jm070609b
BindingDB Entry DOI: 10.7270/Q25Q4ZVQ
More data for this
Ligand-Target Pair