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BDBM50158157 CHEMBL3780434

SMILES: COCC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N

InChI Key: InChIKey=QYGNVWAMIWRSDZ-UHFFFAOYNA-N

Data: 6 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 6 hits for monomerid = 50158157   
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
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50158157
PNG
(CHEMBL3780434)
Show SMILES COCC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C26H35N5O2/c1-33-19-22-17-30(26(32)31(18-22)24-9-5-8-23(14-24)25(27)28)16-21-10-12-29(13-11-21)15-20-6-3-2-4-7-20/h2-9,14,21-22H,10-13,15-19H2,1H3,(H3,27,28)
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CHEMBL
PC cid
PC sid
UniChem
PubMed
160n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepatocyte growth factor activator using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50158157
PNG
(CHEMBL3780434)
Show SMILES COCC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C26H35N5O2/c1-33-19-22-17-30(26(32)31(18-22)24-9-5-8-23(14-24)25(27)28)16-21-10-12-29(13-11-21)15-20-6-3-2-4-7-20/h2-9,14,21-22H,10-13,15-19H2,1H3,(H3,27,28)
PDB
MMDB

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PC sid
UniChem
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200n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant factor 10a using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Trypsin


(Homo sapiens (Human))
BDBM50158157
PNG
(CHEMBL3780434)
Show SMILES COCC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C26H35N5O2/c1-33-19-22-17-30(26(32)31(18-22)24-9-5-8-23(14-24)25(27)28)16-21-10-12-29(13-11-21)15-20-6-3-2-4-7-20/h2-9,14,21-22H,10-13,15-19H2,1H3,(H3,27,28)
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210n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant trypsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Matriptase


(Homo sapiens (Human))
BDBM50158157
PNG
(CHEMBL3780434)
Show SMILES COCC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C26H35N5O2/c1-33-19-22-17-30(26(32)31(18-22)24-9-5-8-23(14-24)25(27)28)16-21-10-12-29(13-11-21)15-20-6-3-2-4-7-20/h2-9,14,21-22H,10-13,15-19H2,1H3,(H3,27,28)
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850n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant matripase catalytic domain using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Hepsin


(Homo sapiens (Human))
BDBM50158157
PNG
(CHEMBL3780434)
Show SMILES COCC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C26H35N5O2/c1-33-19-22-17-30(26(32)31(18-22)24-9-5-8-23(14-24)25(27)28)16-21-10-12-29(13-11-21)15-20-6-3-2-4-7-20/h2-9,14,21-22H,10-13,15-19H2,1H3,(H3,27,28)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
920n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant hepsin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50158157
PNG
(CHEMBL3780434)
Show SMILES COCC1CN(CC2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C26H35N5O2/c1-33-19-22-17-30(26(32)31(18-22)24-9-5-8-23(14-24)25(27)28)16-21-10-12-29(13-11-21)15-20-6-3-2-4-7-20/h2-9,14,21-22H,10-13,15-19H2,1H3,(H3,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
8.10E+3n/an/an/an/an/an/an/an/a



Southern Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant thrombin using H2N(EEdansyl)GKQLRVVNGG (KDabcyl)-NH2 as substrate by fluorometric analysis


ACS Med Chem Lett 7: 177-81 (2016)


BindingDB Entry DOI: 10.7270/Q2Z60QZM
More data for this
Ligand-Target Pair