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BDBM50028945 CHEMBL1738911

SMILES: ON(C=O)[C@@H](CCCc1ncccn1)CS(=O)(=O)N1CCN(CC1)c1ccc(Br)cn1

InChI Key: InChIKey=KOKUKBSLFSEGAT-KRWDZBQOSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 1 hit for monomerid = 50028945   
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
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50028945
PNG
(CHEMBL1738911)
Show SMILES ON(C=O)[C@@H](CCCc1ncccn1)CS(=O)(=O)N1CCN(CC1)c1ccc(Br)cn1
Show InChI InChI=1S/C19H25BrN6O4S/c20-16-5-6-19(23-13-16)24-9-11-25(12-10-24)31(29,30)14-17(26(28)15-27)3-1-4-18-21-7-2-8-22-18/h2,5-8,13,15,17,28H,1,3-4,9-12,14H2/t17-/m0/s1
PDB
MMDB

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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
79n/an/an/an/an/an/an/an/a



Universidad CEU San Pablo

Curated by ChEMBL


Assay Description
Inhibition of MMP7 (unknown origin)


J Med Chem 57: 10205-19 (2014)


Article DOI: 10.1021/jm500505f
BindingDB Entry DOI: 10.7270/Q2NK3GMC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)