new BindingDB logo
myBDB logout

BDBM50393110 CHEMBL2153260

SMILES: Nc1nc2c(nccc2[nH]1)-c1ccco1

InChI Key: InChIKey=MJNLEGDDXDONRO-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50393110   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50393110
PNG
(CHEMBL2153260)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccco1
Show InChI InChI=1S/C10H8N4O/c11-10-13-6-3-4-12-9(8(6)14-10)7-2-1-5-15-7/h1-5H,(H3,11,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by...


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50393110
PNG
(CHEMBL2153260)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccco1
Show InChI InChI=1S/C10H8N4O/c11-10-13-6-3-4-12-9(8(6)14-10)7-2-1-5-15-7/h1-5H,(H3,11,13,14)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of MMP14 using MOCAc-Pro-Leu-Gly-Leu-A2pr(Dnp)-Ala-Arg- NH2 as substrate preincubated for 10 mins measured after 3 hrs by fluorescence ass...


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM50393110
PNG
(CHEMBL2153260)
Show SMILES Nc1nc2c(nccc2[nH]1)-c1ccco1
Show InChI InChI=1S/C10H8N4O/c11-10-13-6-3-4-12-9(8(6)14-10)7-2-1-5-15-7/h1-5H,(H3,11,13,14)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.40E+4n/an/an/an/an/an/a



Macquarie University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK5/p25 using [gamma-32P] ATP after 30 mins by scintillation counting


J Med Chem 54: 2492-503 (2011)


Article DOI: 10.1021/jm200039m
BindingDB Entry DOI: 10.7270/Q2QV3NMT
More data for this
Ligand-Target Pair