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BDBM50069122 CHEMBL3402440

SMILES: CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccccc1

InChI Key: InChIKey=TULVKTALXJSDBV-HNSDRLSHNA-N

Data: 3 KI

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

Found 3 hits for monomerid = 50069122   
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
Matriptase


(Homo sapiens (Human))
BDBM50069122
PNG
(CHEMBL3402440)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1/C35H47N5O3S/c1-23(2)28-21-30(24(3)4)33(31(22-28)25(5)6)44(42,43)38-32(20-26-11-10-12-27(19-26)34(36)37)35(41)40-17-15-39(16-18-40)29-13-8-7-9-14-29/h7-14,19,21-25,32,38H,15-18,20H2,1-6H3,(H3,36,37)/t32-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
760n/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
Hepsin


(Homo sapiens (Human))
BDBM50069122
PNG
(CHEMBL3402440)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1/C35H47N5O3S/c1-23(2)28-21-30(24(3)4)33(31(22-28)25(5)6)44(42,43)38-32(20-26-11-10-12-27(19-26)34(36)37)35(41)40-17-15-39(16-18-40)29-13-8-7-9-14-29/h7-14,19,21-25,32,38H,15-18,20H2,1-6H3,(H3,36,37)/t32-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
7.40E+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
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50069122
PNG
(CHEMBL3402440)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc1cccc(c1)C(N)=N)C(=O)N1CCN(CC1)c1ccccc1 |r|
Show InChI InChI=1/C35H47N5O3S/c1-23(2)28-21-30(24(3)4)33(31(22-28)25(5)6)44(42,43)38-32(20-26-11-10-12-27(19-26)34(36)37)35(41)40-17-15-39(16-18-40)29-13-8-7-9-14-29/h7-14,19,21-25,32,38H,15-18,20H2,1-6H3,(H3,36,37)/t32-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
2.22E+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