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BDBM50068506 (2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-yloxy)-{4-[1-(1-imino-ethyl)-piperidin-4-yloxy]-phenyl}-acetic acid::CHEMBL344305

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

InChI Key: InChIKey=HDBKVGRWBKUKBB-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50068506   
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))
BDBM50068506
PNG
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C25H31N5O4/c1-16(26)29-12-9-21(10-13-29)33-20-5-3-18(4-6-20)23(24(31)32)34-22-7-2-17-8-11-30(25(27)28)15-19(17)14-22/h2-7,14,21,23,26H,8-13,15H2,1H3,(H3,27,28)(H,31,32)
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Article
PubMed
55n/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
Trypsin II


(Homo sapiens (Human))
BDBM50068506
PNG
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C25H31N5O4/c1-16(26)29-12-9-21(10-13-29)33-20-5-3-18(4-6-20)23(24(31)32)34-22-7-2-17-8-11-30(25(27)28)15-19(17)14-22/h2-7,14,21,23,26H,8-13,15H2,1H3,(H3,27,28)(H,31,32)
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Article
PubMed
2.00E+3n/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))
BDBM50068506
PNG
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C25H31N5O4/c1-16(26)29-12-9-21(10-13-29)33-20-5-3-18(4-6-20)23(24(31)32)34-22-7-2-17-8-11-30(25(27)28)15-19(17)14-22/h2-7,14,21,23,26H,8-13,15H2,1H3,(H3,27,28)(H,31,32)
PDB
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Article
PubMed
5.20E+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))
BDBM50068506
PNG
((2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-...)
Show SMILES CC(=N)N1CCC(CC1)Oc1ccc(cc1)C(Oc1ccc2CCN(Cc2c1)C(N)=N)C(O)=O
Show InChI InChI=1S/C25H31N5O4/c1-16(26)29-12-9-21(10-13-29)33-20-5-3-18(4-6-20)23(24(31)32)34-22-7-2-17-8-11-30(25(27)28)15-19(17)14-22/h2-7,14,21,23,26H,8-13,15H2,1H3,(H3,27,28)(H,31,32)
PDB

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antibodypedia
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Article
PubMed
>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