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BDBM50032999 CHEMBL3356597

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1

InChI Key: InChIKey=WKFXBFMYZUNDEO-XSAMGBEENA-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 = 50032999   
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))
BDBM50032999
PNG
(CHEMBL3356597)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C34H50N12O5S/c1-19(2)16-26(30(50)44-24(10-6-12-40-33(35)36)28(48)32-39-14-15-52-32)46-29(49)25(11-7-13-41-34(37)38)45-31(51)27(43-20(3)47)17-21-18-42-23-9-5-4-8-22(21)23/h4-5,8-9,14-15,18-19,24-27,42H,6-7,10-13,16-17H2,1-3H3,(H,43,47)(H,44,50)(H,45,51)(H,46,49)(H4,35,36,40)(H4,37,38,41)/t24-,25-,26-,27-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.210n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant hepsin (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50032999
PNG
(CHEMBL3356597)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C34H50N12O5S/c1-19(2)16-26(30(50)44-24(10-6-12-40-33(35)36)28(48)32-39-14-15-52-32)46-29(49)25(11-7-13-41-34(37)38)45-31(51)27(43-20(3)47)17-21-18-42-23-9-5-4-8-22(21)23/h4-5,8-9,14-15,18-19,24-27,42H,6-7,10-13,16-17H2,1-3H3,(H,43,47)(H,44,50)(H,45,51)(H,46,49)(H4,35,36,40)(H4,37,38,41)/t24-,25-,26-,27-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.5n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-QAR-AMC as substrate by fluorescence assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50032999
PNG
(CHEMBL3356597)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1 |r|
Show InChI InChI=1/C34H50N12O5S/c1-19(2)16-26(30(50)44-24(10-6-12-40-33(35)36)28(48)32-39-14-15-52-32)46-29(49)25(11-7-13-41-34(37)38)45-31(51)27(43-20(3)47)17-21-18-42-23-9-5-4-8-22(21)23/h4-5,8-9,14-15,18-19,24-27,42H,6-7,10-13,16-17H2,1-3H3,(H,43,47)(H,44,50)(H,45,51)(H,46,49)(H4,35,36,40)(H4,37,38,41)/t24-,25-,26-,27-/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
21n/an/an/an/an/an/an/an/a



Washington University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of recombinant HGFA (unknown origin) using Boc-QLR-AMC as substrate by chromogenic proteolytic assay


ACS Med Chem Lett 5: 1219-24 (2014)


Article DOI: 10.1021/ml500254r
BindingDB Entry DOI: 10.7270/Q2VM4DV8
More data for this
Ligand-Target Pair