BDBM50029502 1N-[2-[5-[4-amino(imino)methylamino-1-formyl-(1S)-butylcarbamoyl]-(5S)-dihydro-1H-1-pyrrolyl]-1-methyl-2-oxo-1-phenyl-(1R)-ethyl]-2,2,2-trifluoroacetamide::CHEMBL138568
SMILES: C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C=O)c1ccccc1
InChI Key: InChIKey=XPDGNWQVRJQDGM-CKJXQJPGSA-N
Data: 5 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tissue-type plasminogen activator (Homo sapiens (Human)) | BDBM50029502 (1N-[2-[5-[4-amino(imino)methylamino-1-formyl-(1S)-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >3.00E+7 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description In vitro Enzyme Inhibitory activity against t-PA(Tissue plasminogen activator). | J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM50029502 (1N-[2-[5-[4-amino(imino)methylamino-1-formyl-(1S)-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description In vitro Enzyme Inhibitory activity measured against Trypsin | J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Bos taurus) | BDBM50029502 (1N-[2-[5-[4-amino(imino)methylamino-1-formyl-(1S)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.90E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description In vitro Enzyme Inhibitory activity measured against Coagulation factor X | J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thrombin (Bos taurus (Bovine)) | BDBM50029502 (1N-[2-[5-[4-amino(imino)methylamino-1-formyl-(1S)-...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description In vitro Enzyme Inhibitory activity measured against Thrombin | J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM50029502 (1N-[2-[5-[4-amino(imino)methylamino-1-formyl-(1S)-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories Curated by ChEMBL | Assay Description In vitro Enzyme Inhibitory activity measured against Plasmin | J Med Chem 38: 4446-53 (1995) BindingDB Entry DOI: 10.7270/Q2RB73MV | |||||||||||
More data for this Ligand-Target Pair |