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BDBM50112519 ({1-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-2-ethyl-5-[1-(1-imino-ethyl)-piperidin-4-yloxy]-1H-benzoimidazol-4-yl}-carboxymethyl-amino)-acetic acid::CHEMBL281591

SMILES: CCc1nc2c(N(CC(O)=O)CC(O)=O)c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N

InChI Key: InChIKey=JPYVARSPHAMEHS-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50112519   
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
Trypsin-1


(Homo sapiens (Human))
BDBM50112519
PNG
(({1-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-2-ethy...)
Show SMILES CCc1nc2c(N(CC(O)=O)CC(O)=O)c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N
Show InChI InChI=1S/C32H37N7O5/c1-3-27-36-30-25(39(27)16-20-4-5-21-6-7-22(32(34)35)15-23(21)14-20)8-9-26(31(30)38(17-28(40)41)18-29(42)43)44-24-10-12-37(13-11-24)19(2)33/h4-9,14-15,24,33H,3,10-13,16-18H2,1-2H3,(H3,34,35)(H,40,41)(H,42,43)
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PC cid
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Similars

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



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the selectivity against trypsin (Trp)


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Coagulation factor X


(Homo sapiens (Human))
BDBM50112519
PNG
(({1-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-2-ethy...)
Show SMILES CCc1nc2c(N(CC(O)=O)CC(O)=O)c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N
Show InChI InChI=1S/C32H37N7O5/c1-3-27-36-30-25(39(27)16-20-4-5-21-6-7-22(32(34)35)15-23(21)14-20)8-9-26(31(30)38(17-28(40)41)18-29(42)43)44-24-10-12-37(13-11-24)19(2)33/h4-9,14-15,24,33H,3,10-13,16-18H2,1-2H3,(H3,34,35)(H,40,41)(H,42,43)
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Article
PubMed
50n/an/an/an/an/an/an/an/a



Berlex Biosciences

Curated by ChEMBL


Assay Description
Tested in vitro for the inhibitory potency against Coagulation factor Xa


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50112519
PNG
(({1-(7-Carbamimidoyl-naphthalen-2-ylmethyl)-2-ethy...)
Show SMILES CCc1nc2c(N(CC(O)=O)CC(O)=O)c(OC3CCN(CC3)C(C)=N)ccc2n1Cc1ccc2ccc(cc2c1)C(N)=N
Show InChI InChI=1S/C32H37N7O5/c1-3-27-36-30-25(39(27)16-20-4-5-21-6-7-22(32(34)35)15-23(21)14-20)8-9-26(31(30)38(17-28(40)41)18-29(42)43)44-24-10-12-37(13-11-24)19(2)33/h4-9,14-15,24,33H,3,10-13,16-18H2,1-2H3,(H3,34,35)(H,40,41)(H,42,43)
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
Tested in vitro for the selectivity against thrombin (IIa)


Bioorg Med Chem Lett 12: 1311-4 (2002)


Article DOI: 10.1016/s0960-894x(02)00145-2
BindingDB Entry DOI: 10.7270/Q2X066CP
More data for this
Ligand-Target Pair