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BDBM50372644 CHEMBL409223

SMILES: COc1cc(CNC(=O)c2ccc3ncn(Cc4ccc(F)cc4)c(=O)c3c2)ccn1

InChI Key: InChIKey=AURPLPVPCDLQBS-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50372644   
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
Collagenase 3


(Homo sapiens (Human))
BDBM50372644
PNG
(CHEMBL409223)
Show SMILES COc1cc(CNC(=O)c2ccc3ncn(Cc4ccc(F)cc4)c(=O)c3c2)ccn1
Show InChI InChI=1S/C23H19FN4O3/c1-31-21-10-16(8-9-25-21)12-26-22(29)17-4-7-20-19(11-17)23(30)28(14-27-20)13-15-2-5-18(24)6-3-15/h2-11,14H,12-13H2,1H3,(H,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 728n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human MMP13 catalytic domain


J Med Chem 51: 835-41 (2008)


Article DOI: 10.1021/jm701274v
BindingDB Entry DOI: 10.7270/Q2J38TDZ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50372644
PNG
(CHEMBL409223)
Show SMILES COc1cc(CNC(=O)c2ccc3ncn(Cc4ccc(F)cc4)c(=O)c3c2)ccn1
Show InChI InChI=1S/C23H19FN4O3/c1-31-21-10-16(8-9-25-21)12-26-22(29)17-4-7-20-19(11-17)23(30)28(14-27-20)13-15-2-5-18(24)6-3-15/h2-11,14H,12-13H2,1H3,(H,26,29)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human MMP13


J Med Chem 51: 835-41 (2008)


Article DOI: 10.1021/jm701274v
BindingDB Entry DOI: 10.7270/Q2J38TDZ
More data for this
Ligand-Target Pair