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BDBM50172227 2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-methyl-3-phenyl-propylamino)-pyridin-2-yloxy]-5-dimethylamino-benzoic acid; TFA::CHEMBL373187

SMILES: CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)N(C)C)c1F

InChI Key: InChIKey=YRKLYORIDVJFCO-UHFFFAOYNA-N

Data: 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 4 hits for monomerid = 50172227   
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 III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50172227
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)N(C)C)c1F
Show InChI InChI=1/C31H31F2N5O4/c1-18(12-13-19-8-5-4-6-9-19)36-27-25(32)29(41-22-11-7-10-20(16-22)28(34)35)37-30(26(27)33)42-24-15-14-21(38(2)3)17-23(24)31(39)40/h4-11,14-18H,12-13H2,1-3H3,(H3,34,35)(H,36,37)(H,39,40)
PDB

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UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50172227
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)N(C)C)c1F
Show InChI InChI=1/C31H31F2N5O4/c1-18(12-13-19-8-5-4-6-9-19)36-27-25(32)29(41-22-11-7-10-20(16-22)28(34)35)37-30(26(27)33)42-24-15-14-21(38(2)3)17-23(24)31(39)40/h4-11,14-18H,12-13H2,1-3H3,(H3,34,35)(H,36,37)(H,39,40)
PDB
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UniProtKB/SwissProt

B.MOAD
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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor III/Factor VIIa (fVIIa)


(Homo sapiens (Human))
BDBM50172227
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)N(C)C)c1F
Show InChI InChI=1/C31H31F2N5O4/c1-18(12-13-19-8-5-4-6-9-19)36-27-25(32)29(41-22-11-7-10-20(16-22)28(34)35)37-30(26(27)33)42-24-15-14-21(38(2)3)17-23(24)31(39)40/h4-11,14-18H,12-13H2,1-3H3,(H3,34,35)(H,36,37)(H,39,40)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor VIIa/tissue factor cleavage of fluorogenic substrate SN17c at 37 degree C for 15 minutes


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50172227
PNG
(2-[6-(3-Carbamimidoyl-phenoxy)-3,5-difluoro-4-(1-m...)
Show SMILES CC(CCc1ccccc1)Nc1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)N(C)C)c1F
Show InChI InChI=1/C31H31F2N5O4/c1-18(12-13-19-8-5-4-6-9-19)36-27-25(32)29(41-22-11-7-10-20(16-22)28(34)35)37-30(26(27)33)42-24-15-14-21(38(2)3)17-23(24)31(39)40/h4-11,14-18H,12-13H2,1-3H3,(H3,34,35)(H,36,37)(H,39,40)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against human coagulation factor Xa


Bioorg Med Chem Lett 15: 4752-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.07.059
BindingDB Entry DOI: 10.7270/Q2WD4044
More data for this
Ligand-Target Pair