BDBM50113792 CHEMBL81521::S-4-{2-[2-(1-Carbamimidoyl-piperidin-4-yloxy)-ethyl]-piperidin-1-yl}-3-(cyclohexyl-methyl-amino)-4-oxo-butyric acid
SMILES: CN([C@@H](CC(O)=O)C(=O)N1CCCC[C@H]1CCOC1CCN(CC1)C(N)=N)C1CCCCC1
InChI Key: InChIKey=LWPWODBKDAPVFD-FPOVZHCZSA-N
Data: 4 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prothrombin (Homo sapiens (Human)) | BDBM50113792 (CHEMBL81521 | S-4-{2-[2-(1-Carbamimidoyl-piperidin...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 2.17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description In vitro inhibition of human thrombin. | J Med Chem 45: 2432-53 (2002) BindingDB Entry DOI: 10.7270/Q2S181VR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Bos taurus) | BDBM50113792 (CHEMBL81521 | S-4-{2-[2-(1-Carbamimidoyl-piperidin...) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Inhibitory effect on plasmin in bovine plasma | J Med Chem 45: 2432-53 (2002) BindingDB Entry DOI: 10.7270/Q2S181VR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Bos taurus) | BDBM50113792 (CHEMBL81521 | S-4-{2-[2-(1-Carbamimidoyl-piperidin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 4.97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description Inhibitory effect on Coagulation factor Xa (FXa) from bovine plasma | J Med Chem 45: 2432-53 (2002) BindingDB Entry DOI: 10.7270/Q2S181VR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50113792 (CHEMBL81521 | S-4-{2-[2-(1-Carbamimidoyl-piperidin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 1.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development Curated by ChEMBL | Assay Description In vitro inhibition of human trypsin. | J Med Chem 45: 2432-53 (2002) BindingDB Entry DOI: 10.7270/Q2S181VR | |||||||||||
More data for this Ligand-Target Pair |