BDBM50029501 5N-[4-amino(imino)methylamino-1-formyl-(1S)-butyl]-1-[(1R,4aS,8aS)-perhydro-1-isoquinolinylcarbonyl]-(5S)-dihydro-1H-5-pyrrolecarboxamide::CHEMBL136647
SMILES: NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NCC[C@@H]2CCCC[C@H]12)C=O
InChI Key: InChIKey=WCLPXKIYRNURPD-KFGODFMUSA-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)) | BDBM50029501 (5N-[4-amino(imino)methylamino-1-formyl-(1S)-butyl]...) | 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 | 3.40E+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 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 | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM50029501 (5N-[4-amino(imino)methylamino-1-formyl-(1S)-butyl]...) | 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 | 710 | 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 | |||||||||||||
Thrombin (Bos taurus (Bovine)) | BDBM50029501 (5N-[4-amino(imino)methylamino-1-formyl-(1S)-butyl]...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 19 | 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 | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM50029501 (5N-[4-amino(imino)methylamino-1-formyl-(1S)-butyl]...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 53 | 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) | BDBM50029501 (5N-[4-amino(imino)methylamino-1-formyl-(1S)-butyl]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 550 | 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 |