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BDBM50112489 CHEMBL277424::N-[3-(5-Carbamimidoyl-2-hydroxy-phenyl)-allyl]-N-[4-(1-methyl-piperidin-4-yloxy)-3-trifluoromethyl-phenyl]-succinamic acid

SMILES: CN1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cc(ccc1O)C(N)=N)C(=O)CCC(O)=O

InChI Key: InChIKey=NKSLZFJLSABSEY-NSCUHMNNSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50112489   
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))
BDBM50112489
PNG
(CHEMBL277424 | N-[3-(5-Carbamimidoyl-2-hydroxy-phe...)
Show SMILES CN1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cc(ccc1O)C(N)=N)C(=O)CCC(O)=O
Show InChI InChI=1S/C27H31F3N4O5/c1-33-13-10-20(11-14-33)39-23-7-5-19(16-21(23)27(28,29)30)34(24(36)8-9-25(37)38)12-2-3-17-15-18(26(31)32)4-6-22(17)35/h2-7,15-16,20,35H,8-14H2,1H3,(H3,31,32)(H,37,38)/b3-2+
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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))
BDBM50112489
PNG
(CHEMBL277424 | N-[3-(5-Carbamimidoyl-2-hydroxy-phe...)
Show SMILES CN1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cc(ccc1O)C(N)=N)C(=O)CCC(O)=O
Show InChI InChI=1S/C27H31F3N4O5/c1-33-13-10-20(11-14-33)39-23-7-5-19(16-21(23)27(28,29)30)34(24(36)8-9-25(37)38)12-2-3-17-15-18(26(31)32)4-6-22(17)35/h2-7,15-16,20,35H,8-14H2,1H3,(H3,31,32)(H,37,38)/b3-2+
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PC cid
PC sid
UniChem

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Article
PubMed
765n/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))
BDBM50112489
PNG
(CHEMBL277424 | N-[3-(5-Carbamimidoyl-2-hydroxy-phe...)
Show SMILES CN1CCC(CC1)Oc1ccc(cc1C(F)(F)F)N(C\C=C\c1cc(ccc1O)C(N)=N)C(=O)CCC(O)=O
Show InChI InChI=1S/C27H31F3N4O5/c1-33-13-10-20(11-14-33)39-23-7-5-19(16-21(23)27(28,29)30)34(24(36)8-9-25(37)38)12-2-3-17-15-18(26(31)32)4-6-22(17)35/h2-7,15-16,20,35H,8-14H2,1H3,(H3,31,32)(H,37,38)/b3-2+
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PC cid
PC sid
UniChem

Patents


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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