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BDBM50142600 CHEMBL3759952

SMILES: COc1cccc(CNC(=O)c2cc(cc(C)n2)-c2nnn(CC3CCCCC3)n2)c1

InChI Key: InChIKey=HZGLRLXBLRMWLR-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50142600   
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


(Homo sapiens (Human))
BDBM50142600
PNG
(CHEMBL3759952)
Show SMILES COc1cccc(CNC(=O)c2cc(cc(C)n2)-c2nnn(CC3CCCCC3)n2)c1
Show InChI InChI=1S/C23H28N6O2/c1-16-11-19(22-26-28-29(27-22)15-17-7-4-3-5-8-17)13-21(25-16)23(30)24-14-18-9-6-10-20(12-18)31-2/h6,9-13,17H,3-5,7-8,14-15H2,1-2H3,(H,24,30)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
34n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant MMP13 using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followe...


J Med Chem 59: 313-27 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01434
BindingDB Entry DOI: 10.7270/Q20G3N0F
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50142600
PNG
(CHEMBL3759952)
Show SMILES COc1cccc(CNC(=O)c2cc(cc(C)n2)-c2nnn(CC3CCCCC3)n2)c1
Show InChI InChI=1S/C23H28N6O2/c1-16-11-19(22-26-28-29(27-22)15-17-7-4-3-5-8-17)13-21(25-16)23(30)24-14-18-9-6-10-20(12-18)31-2/h6,9-13,17H,3-5,7-8,14-15H2,1-2H3,(H,24,30)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MMP3 (unknown origin) catalytic domain using Mca-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 60 mins...


J Med Chem 59: 313-27 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01434
BindingDB Entry DOI: 10.7270/Q20G3N0F
More data for this
Ligand-Target Pair