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BDBM50077179 2,6-Bis-(3-carbamimidoyl-phenoxy)-nicotinic acid ethyl ester::CHEMBL48161

SMILES: CCOC(=O)c1ccc(Oc2cccc(c2)C(N)=N)nc1Oc1cccc(c1)C(N)=N

InChI Key: InChIKey=SLBCYMNSPJGIKG-UHFFFAOYSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50077179   
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))
BDBM50077179
PNG
(2,6-Bis-(3-carbamimidoyl-phenoxy)-nicotinic acid e...)
Show SMILES CCOC(=O)c1ccc(Oc2cccc(c2)C(N)=N)nc1Oc1cccc(c1)C(N)=N
Show InChI InChI=1S/C22H21N5O4/c1-2-29-22(28)17-9-10-18(30-15-7-3-5-13(11-15)19(23)24)27-21(17)31-16-8-4-6-14(12-16)20(25)26/h3-12H,2H2,1H3,(H3,23,24)(H3,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
190n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound was tested for inhibition activity against Coagulation factor X


J Med Chem 42: 1749-56 (1999)


Article DOI: 10.1021/jm980667k
BindingDB Entry DOI: 10.7270/Q2FX78NF
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50077179
PNG
(2,6-Bis-(3-carbamimidoyl-phenoxy)-nicotinic acid e...)
Show SMILES CCOC(=O)c1ccc(Oc2cccc(c2)C(N)=N)nc1Oc1cccc(c1)C(N)=N
Show InChI InChI=1S/C22H21N5O4/c1-2-29-22(28)17-9-10-18(30-15-7-3-5-13(11-15)19(23)24)27-21(17)31-16-8-4-6-14(12-16)20(25)26/h3-12H,2H2,1H3,(H3,23,24)(H3,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
920n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound was tested for inhibition activity against bovine trypsin.


J Med Chem 42: 1749-56 (1999)


Article DOI: 10.1021/jm980667k
BindingDB Entry DOI: 10.7270/Q2FX78NF
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50077179
PNG
(2,6-Bis-(3-carbamimidoyl-phenoxy)-nicotinic acid e...)
Show SMILES CCOC(=O)c1ccc(Oc2cccc(c2)C(N)=N)nc1Oc1cccc(c1)C(N)=N
Show InChI InChI=1S/C22H21N5O4/c1-2-29-22(28)17-9-10-18(30-15-7-3-5-13(11-15)19(23)24)27-21(17)31-16-8-4-6-14(12-16)20(25)26/h3-12H,2H2,1H3,(H3,23,24)(H3,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>5.00E+3n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Compound was tested for inhibition activity against human thrombin (FIIa)


J Med Chem 42: 1749-56 (1999)


Article DOI: 10.1021/jm980667k
BindingDB Entry DOI: 10.7270/Q2FX78NF
More data for this
Ligand-Target Pair