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BDBM50177196 6-[6-(3-carbamimidoyl-phenoxy)-4-diisopropylamino-3,5-difluoro-pyridin-2-yloxy]-N-cyclopentyl-isophthalamic acid trifluoro-acetic acid::CHEMBL377280

SMILES: CC(C)N(C(C)C)c1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(=O)NC2CCCC2)c1F

InChI Key: InChIKey=RZYPWSBAHCUXMU-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50177196   
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))
BDBM50177196
PNG
(6-[6-(3-carbamimidoyl-phenoxy)-4-diisopropylamino-...)
Show SMILES CC(C)N(C(C)C)c1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(=O)NC2CCCC2)c1F
Show InChI InChI=1S/C31H35F2N5O5/c1-16(2)38(17(3)4)26-24(32)29(42-21-11-7-8-18(14-21)27(34)35)37-30(25(26)33)43-23-13-12-19(15-22(23)31(40)41)28(39)36-20-9-5-6-10-20/h7-8,11-17,20H,5-6,9-10H2,1-4H3,(H3,34,35)(H,36,39)(H,40,41)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 43n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FVIIa/TF complex


Bioorg Med Chem Lett 16: 1060-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.076
BindingDB Entry DOI: 10.7270/Q2Q81DWW
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50177196
PNG
(6-[6-(3-carbamimidoyl-phenoxy)-4-diisopropylamino-...)
Show SMILES CC(C)N(C(C)C)c1c(F)c(Oc2cccc(c2)C(N)=N)nc(Oc2ccc(cc2C(O)=O)C(=O)NC2CCCC2)c1F
Show InChI InChI=1S/C31H35F2N5O5/c1-16(2)38(17(3)4)26-24(32)29(42-21-11-7-8-18(14-21)27(34)35)37-30(25(26)33)43-23-13-12-19(15-22(23)31(40)41)28(39)36-20-9-5-6-10-20/h7-8,11-17,20H,5-6,9-10H2,1-4H3,(H3,34,35)(H,36,39)(H,40,41)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of FIIa


Bioorg Med Chem Lett 16: 1060-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.076
BindingDB Entry DOI: 10.7270/Q2Q81DWW
More data for this
Ligand-Target Pair