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SMILES: NC(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O

InChI Key: InChIKey=ZOEBIFJKMNIWBG-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50068487   
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))
BDBM50068487
PNG
(CHEMBL148357 | [4-(1-Carbamimidoyl-piperidin-4-ylo...)
Show SMILES NC(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C24H30N6O4/c25-23(26)29-11-8-19(9-12-29)33-18-4-2-16(3-5-18)21(22(31)32)34-20-6-1-15-7-10-30(24(27)28)14-17(15)13-20/h1-6,13,19,21H,7-12,14H2,(H3,25,26)(H3,27,28)(H,31,32)
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PubMed
44n/an/an/an/an/an/an/an/a



Boehringer Mannheim GmbH

Curated by ChEMBL


Assay Description
The inhibition constant against human Coagulation factor X


J Med Chem 41: 4983-94 (1999)


Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112
More data for this
Ligand-Target Pair
Serine protease 1/Trypsin-2


(Homo sapiens (Human))
BDBM50068487
PNG
(CHEMBL148357 | [4-(1-Carbamimidoyl-piperidin-4-ylo...)
Show SMILES NC(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C24H30N6O4/c25-23(26)29-11-8-19(9-12-29)33-18-4-2-16(3-5-18)21(22(31)32)34-20-6-1-15-7-10-30(24(27)28)14-17(15)13-20/h1-6,13,19,21H,7-12,14H2,(H3,25,26)(H3,27,28)(H,31,32)
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200n/an/an/an/an/an/an/an/a



Boehringer Mannheim GmbH

Curated by ChEMBL


Assay Description
The inhibition constant against human trypsin


J Med Chem 41: 4983-94 (1999)


Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112
More data for this
Ligand-Target Pair
Plasminogen


(Homo sapiens (Human))
BDBM50068487
PNG
(CHEMBL148357 | [4-(1-Carbamimidoyl-piperidin-4-ylo...)
Show SMILES NC(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C24H30N6O4/c25-23(26)29-11-8-19(9-12-29)33-18-4-2-16(3-5-18)21(22(31)32)34-20-6-1-15-7-10-30(24(27)28)14-17(15)13-20/h1-6,13,19,21H,7-12,14H2,(H3,25,26)(H3,27,28)(H,31,32)
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4.40E+4n/an/an/an/an/an/an/an/a



Boehringer Mannheim GmbH

Curated by ChEMBL


Assay Description
The inhibition constant against human plasmin


J Med Chem 41: 4983-94 (1999)


Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM50068487
PNG
(CHEMBL148357 | [4-(1-Carbamimidoyl-piperidin-4-ylo...)
Show SMILES NC(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C24H30N6O4/c25-23(26)29-11-8-19(9-12-29)33-18-4-2-16(3-5-18)21(22(31)32)34-20-6-1-15-7-10-30(24(27)28)14-17(15)13-20/h1-6,13,19,21H,7-12,14H2,(H3,25,26)(H3,27,28)(H,31,32)
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>1.00E+5n/an/an/an/an/an/an/an/a



Boehringer Mannheim GmbH

Curated by ChEMBL


Assay Description
The inhibition constant against human thrombin


J Med Chem 41: 4983-94 (1999)


Article DOI: 10.1021/jm9800402
BindingDB Entry DOI: 10.7270/Q2611112
More data for this
Ligand-Target Pair