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BDBM50069117 CHEMBL3403529

SMILES: NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)NCc2ccccc2)c1

InChI Key: InChIKey=IXLXNDFMSBXQDV-KSTXGFNDNA-N

Data: 3 KI

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 = 50069117   
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
Hepsin


(Homo sapiens (Human))
BDBM50069117
PNG
(CHEMBL3403529)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)NCc2ccccc2)c1 |r|
Show InChI InChI=1/C32H34N6O4S/c33-30(34)27-12-6-9-24(19-27)20-29(36-43(41,42)28-14-13-25-10-4-5-11-26(25)21-28)31(39)37-15-17-38(18-16-37)32(40)35-22-23-7-2-1-3-8-23/h1-14,19,21,29,36H,15-18,20,22H2,(H3,33,34)(H,35,40)/t29-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of hepsin (unknown origin) using Boc-QAR-AMC as substrate after 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
BindingDB Entry DOI: 10.7270/Q23F4RB4
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50069117
PNG
(CHEMBL3403529)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)NCc2ccccc2)c1 |r|
Show InChI InChI=1/C32H34N6O4S/c33-30(34)27-12-6-9-24(19-27)20-29(36-43(41,42)28-14-13-25-10-4-5-11-26(25)21-28)31(39)37-15-17-38(18-16-37)32(40)35-22-23-7-2-1-3-8-23/h1-14,19,21,29,36H,15-18,20,22H2,(H3,33,34)(H,35,40)/t29-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.60E+3n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matripase (unknown origin) using Boc-QAR-AMC as substrate incubated for 30 mins prior to substrate addition by fluorescence assay


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
BindingDB Entry DOI: 10.7270/Q23F4RB4
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069117
PNG
(CHEMBL3403529)
Show SMILES NC(=N)c1cccc(C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N2CCN(CC2)C(=O)NCc2ccccc2)c1 |r|
Show InChI InChI=1/C32H34N6O4S/c33-30(34)27-12-6-9-24(19-27)20-29(36-43(41,42)28-14-13-25-10-4-5-11-26(25)21-28)31(39)37-15-17-38(18-16-37)32(40)35-22-23-7-2-1-3-8-23/h1-14,19,21,29,36H,15-18,20,22H2,(H3,33,34)(H,35,40)/t29-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.40E+4n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed in baculovirus-infected Sf9 cells using Boc-QLR-AMC as substrate incu...


Bioorg Med Chem 23: 2328-43 (2015)


Article DOI: 10.1016/j.bmc.2015.03.072
BindingDB Entry DOI: 10.7270/Q23F4RB4
More data for this
Ligand-Target Pair