BDBM50076222 (1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]pyridazine-1-carboxylic acid [(S)-1-(benzothiazole-2-carbonyl)-4-guanidino-butyl]-amide::CHEMBL282830
SMILES: NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1
InChI Key: InChIKey=WQDOEYAJPUSQCH-RXYILKCJSA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
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Trypsin (Bos taurus (bovine)) | BDBM50076222 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.640 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Molecumetics Ltd. Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against trypsin. | J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50076222 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Molecumetics Ltd. Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against thrombin. | J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor VII (Homo sapiens (Human)) | BDBM50076222 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Molecumetics Ltd. Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against coagulation factor VIIa | J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tissue-type plasminogen activator (Homo sapiens (Human)) | BDBM50076222 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 495 | n/a | n/a | n/a | n/a | n/a | n/a |
Molecumetics Ltd. Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against Tissue type plasminogen activator | J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50076222 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Molecumetics Ltd. Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against Coagulation factor Xa | J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Urokinase-type plasminogen activator (Homo sapiens (Human)) | BDBM50076222 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Molecumetics Ltd. Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against Urokinase-type plasminogen activator | J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmin (Rattus norvegicus) | BDBM50076222 ((1S,7S)-7-Amino-7-benzyl-hexahydro-pyrazolo[1,2-a]...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 415 | n/a | n/a | n/a | n/a | n/a | n/a |
Molecumetics Ltd. Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against plasmin | J Med Chem 42: 1367-75 (1999) Article DOI: 10.1021/jm980354p BindingDB Entry DOI: 10.7270/Q20Z72G1 | |||||||||||
More data for this Ligand-Target Pair |