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BDBM50112490 CHEMBL424589::N-[3-(3-Carbamimidoyl-phenyl)-allyl]-N-{4-[1-(1-imino-ethyl)-piperidin-4-yloxy]-3-trifluoromethyl-phenyl}-succinamic acid

SMILES: CC(=N)N1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cccc(c1)C(N)=N)C(=O)CCC(O)=O

InChI Key: InChIKey=ZWFWYXPOPDQVDE-YJGWQCCRSA-N

Data: 3 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50112490   
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))
BDBM50112490
PNG
(CHEMBL424589 | N-[3-(3-Carbamimidoyl-phenyl)-allyl...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cccc(c1)C(N)=N)C(=O)CCC(O)=O
Show InChI InChI=1S/C28H32F3N5O4/c1-18(32)35-14-11-22(12-15-35)40-24-8-7-21(17-23(24)28(29,30)31)36(25(37)9-10-26(38)39)13-3-5-19-4-2-6-20(16-19)27(33)34/h2-8,16-17,22,32H,9-15H2,1H3,(H3,33,34)(H,38,39)/b5-3+,32-18?
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PC cid
PC sid
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Article
PubMed
0.280n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Competitive inhibition of coagulation factor Xa


Bioorg Med Chem Lett 12: 1307-10 (2002)


Article DOI: 10.1016/s0960-894x(02)00142-7
BindingDB Entry DOI: 10.7270/Q21R6PV8
More data for this
Ligand-Target Pair
Trypsin


(Bos taurus (bovine))
BDBM50112490
PNG
(CHEMBL424589 | N-[3-(3-Carbamimidoyl-phenyl)-allyl...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cccc(c1)C(N)=N)C(=O)CCC(O)=O
Show InChI InChI=1S/C28H32F3N5O4/c1-18(32)35-14-11-22(12-15-35)40-24-8-7-21(17-23(24)28(29,30)31)36(25(37)9-10-26(38)39)13-3-5-19-4-2-6-20(16-19)27(33)34/h2-8,16-17,22,32H,9-15H2,1H3,(H3,33,34)(H,38,39)/b5-3+,32-18?
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
110n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Competitive inhibition of trypsin


Bioorg Med Chem Lett 12: 1307-10 (2002)


Article DOI: 10.1016/s0960-894x(02)00142-7
BindingDB Entry DOI: 10.7270/Q21R6PV8
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50112490
PNG
(CHEMBL424589 | N-[3-(3-Carbamimidoyl-phenyl)-allyl...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cccc(c1)C(N)=N)C(=O)CCC(O)=O
Show InChI InChI=1S/C28H32F3N5O4/c1-18(32)35-14-11-22(12-15-35)40-24-8-7-21(17-23(24)28(29,30)31)36(25(37)9-10-26(38)39)13-3-5-19-4-2-6-20(16-19)27(33)34/h2-8,16-17,22,32H,9-15H2,1H3,(H3,33,34)(H,38,39)/b5-3+,32-18?
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
Competitive inhibition of coagulation factor IIa


Bioorg Med Chem Lett 12: 1307-10 (2002)


Article DOI: 10.1016/s0960-894x(02)00142-7
BindingDB Entry DOI: 10.7270/Q21R6PV8
More data for this
Ligand-Target Pair