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BDBM50158160 CHEMBL3780584

SMILES: CC1CN(C2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N

InChI Key: InChIKey=YRDJOOUTTZXUCV-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 = 50158160   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50158160
PNG
(CHEMBL3780584)
Show SMILES CC1CN(C2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C24H31N5O/c1-18-15-28(21-10-12-27(13-11-21)17-19-6-3-2-4-7-19)24(30)29(16-18)22-9-5-8-20(14-22)23(25)26/h2-9,14,18,21H,10-13,15-17H2,1H3,(H3,25,26)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
PubMed
240n/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))
BDBM50158160
PNG
(CHEMBL3780584)
Show SMILES CC1CN(C2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C24H31N5O/c1-18-15-28(21-10-12-27(13-11-21)17-19-6-3-2-4-7-19)24(30)29(16-18)22-9-5-8-20(14-22)23(25)26/h2-9,14,18,21H,10-13,15-17H2,1H3,(H3,25,26)
PDB

KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
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PubMed
780n/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))
BDBM50158160
PNG
(CHEMBL3780584)
Show SMILES CC1CN(C2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C24H31N5O/c1-18-15-28(21-10-12-27(13-11-21)17-19-6-3-2-4-7-19)24(30)29(16-18)22-9-5-8-20(14-22)23(25)26/h2-9,14,18,21H,10-13,15-17H2,1H3,(H3,25,26)
PDB
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
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830n/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))
BDBM50158160
PNG
(CHEMBL3780584)
Show SMILES CC1CN(C2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C24H31N5O/c1-18-15-28(21-10-12-27(13-11-21)17-19-6-3-2-4-7-19)24(30)29(16-18)22-9-5-8-20(14-22)23(25)26/h2-9,14,18,21H,10-13,15-17H2,1H3,(H3,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC sid
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3.40E+3n/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
Hepatocyte growth factor activator


(Homo sapiens (Human))
BDBM50158160
PNG
(CHEMBL3780584)
Show SMILES CC1CN(C2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C24H31N5O/c1-18-15-28(21-10-12-27(13-11-21)17-19-6-3-2-4-7-19)24(30)29(16-18)22-9-5-8-20(14-22)23(25)26/h2-9,14,18,21H,10-13,15-17H2,1H3,(H3,25,26)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
9.80E+3n/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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50158160
PNG
(CHEMBL3780584)
Show SMILES CC1CN(C2CCN(Cc3ccccc3)CC2)C(=O)N(C1)c1cccc(c1)C(N)=N
Show InChI InChI=1/C24H31N5O/c1-18-15-28(21-10-12-27(13-11-21)17-19-6-3-2-4-7-19)24(30)29(16-18)22-9-5-8-20(14-22)23(25)26/h2-9,14,18,21H,10-13,15-17H2,1H3,(H3,25,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.59E+4n/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