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BDBM50112491 4-Hydroxy-3-(3-{4-[1-(1-imino-ethyl)-piperidin-4-yloxy]-3-trifluoromethyl-phenylamino}-propenyl)-benzamidine::CHEMBL423656

SMILES: CC(=N)N1CCC(CC1)Oc1ccc(NCC=Cc2cc(ccc2O)C(N)=N)cc1C(F)(F)F

InChI Key: InChIKey=WSZSQGHQATUDOF-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50112491   
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))
BDBM50112491
PNG
(4-Hydroxy-3-(3-{4-[1-(1-imino-ethyl)-piperidin-4-y...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(NCC=Cc2cc(ccc2O)C(N)=N)cc1C(F)(F)F
Show InChI InChI=1S/C24H28F3N5O2/c1-15(28)32-11-8-19(9-12-32)34-22-7-5-18(14-20(22)24(25,26)27)31-10-2-3-16-13-17(23(29)30)4-6-21(16)33/h2-7,13-14,19,28,31,33H,8-12H2,1H3,(H3,29,30)
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KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

Similars

Article
PubMed
0.100n/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))
BDBM50112491
PNG
(4-Hydroxy-3-(3-{4-[1-(1-imino-ethyl)-piperidin-4-y...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(NCC=Cc2cc(ccc2O)C(N)=N)cc1C(F)(F)F
Show InChI InChI=1S/C24H28F3N5O2/c1-15(28)32-11-8-19(9-12-32)34-22-7-5-18(14-20(22)24(25,26)27)31-10-2-3-16-13-17(23(29)30)4-6-21(16)33/h2-7,13-14,19,28,31,33H,8-12H2,1H3,(H3,29,30)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
200n/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))
BDBM50112491
PNG
(4-Hydroxy-3-(3-{4-[1-(1-imino-ethyl)-piperidin-4-y...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(NCC=Cc2cc(ccc2O)C(N)=N)cc1C(F)(F)F
Show InChI InChI=1S/C24H28F3N5O2/c1-15(28)32-11-8-19(9-12-32)34-22-7-5-18(14-20(22)24(25,26)27)31-10-2-3-16-13-17(23(29)30)4-6-21(16)33/h2-7,13-14,19,28,31,33H,8-12H2,1H3,(H3,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10E+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