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BDBM50444602 CHEMBL3099874

SMILES: COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1

InChI Key: InChIKey=TZZLZNRHOVAVGN-LCYFTJDESA-N

Data: 3 KI  4 IC50

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 7 hits for monomerid = 50444602   
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
Kallikrein 7


(Homo sapiens)
BDBM50444602
PNG
(CHEMBL3099874)
Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-
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Article
PubMed
7.20E+4n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-inhibitor complex after 15 to 60 mins by Lin...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM50444602
PNG
(CHEMBL3099874)
Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-
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Article
PubMed
1.00E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Competitive inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate after 15 to 60 mins by Lineweaver-Burk/Eadie-Hofstee plot analysis


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM50444602
PNG
(CHEMBL3099874)
Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-
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Article
PubMed
1.64E+5n/an/an/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Mixed-type inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate assessed as enzyme-substrate-inhibitor complex after 15 to 60 m...


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens)
BDBM50444602
PNG
(CHEMBL3099874)
Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-
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Article
PubMed
n/an/a 9.00E+4n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein7 using Suc-Leu-Leu-Val-Tyr-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein 14


(Homo sapiens)
BDBM50444602
PNG
(CHEMBL3099874)
Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-
KEGG

UniProtKB/SwissProt

GoogleScholar
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Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.90E+4n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein14 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Kallikrein 5


(Homo sapiens)
BDBM50444602
PNG
(CHEMBL3099874)
Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-
PDB
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 1.27E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of human kallikrein5 using Boc-Val-Pro-Arg-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (human))
BDBM50444602
PNG
(CHEMBL3099874)
Show SMILES COc1ccc(NC(=O)C(=C/c2ccc(O)c(OC)c2)\C#N)cc1
Show InChI InChI=1S/C18H16N2O4/c1-23-15-6-4-14(5-7-15)20-18(22)13(11-19)9-12-3-8-16(21)17(10-12)24-2/h3-10,21H,1-2H3,(H,20,22)/b13-9-
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



Universit£ Pierre et Marie Curie

Curated by ChEMBL


Assay Description
Inhibition of matriptase (unknown origin) using Boc-Gln-Ala-Arg-AMC as substrate after 15 mins by fluorescence assay


Eur J Med Chem 70: 661-8 (2013)


Article DOI: 10.1016/j.ejmech.2013.10.040
BindingDB Entry DOI: 10.7270/Q21837Z8
More data for this
Ligand-Target Pair