BDBM50157334 3-[4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-yloxymethyl)-3,4,5,6-tetrahydro-2H-[1,4'']bipyridinyl-3''-yl]-propionic acid; di hydrochloride::3-[4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinolin-7-yloxymethyl)-3,4,5,6-tetrahydro-2H-[1,4']bipyridinyl-3'-yl]-propionic acid; dihydrochloride::CHEMBL535143
SMILES: NC(=N)N1CCc2ccc(OCC3CCN(CC3)c3ccncc3CCC(O)=O)cc2C1
InChI Key: InChIKey=FDZAXSSJRTXJLF-UHFFFAOYSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor X (Homo sapiens (Human)) | BDBM50157334 (3-[4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinol...) | 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 | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibitory concentration against human Coagulation factor X | J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50157334 (3-[4-(2-Carbamimidoyl-1,2,3,4-tetrahydro-isoquinol...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibitory concentration against human Coagulation factor II (thrombin) | J Med Chem 48: 3586-604 (2005) Article DOI: 10.1021/jm058160e BindingDB Entry DOI: 10.7270/Q2CR5V36 | |||||||||||
More data for this Ligand-Target Pair |