BDBM12658 4-[({[(1S)-4-carbamimidamido-1-[(4-nitrophenyl)carbamoyl]butyl]carbamoyl}methyl)carbamoyl]-4-[(2S,3S)-3-methyl-2-(phenylformamido)pentanamido]butanoic acid hydrochloride::Bz-Ile-Glu-Gly-Arg-pNA::Chromogenic Substrate S-2222::L-Argininamide, N-benzoyl-L-isoleucyl-L-alpha-glutamylglycyl-N-(4-nitrophenyl)-, monohydrochloride::benzoyl-Ile-Glu-Gly-Arg-p-nitroanilide
SMILES: [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7]-[#6](=O)-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-c1ccc(cc1)-[#7+](-[#8-])=O
InChI Key: InChIKey=ZYECEUZMVSGTMR-LBDWYMBGSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prothrombin (Homo sapiens (Human)) | BDBM12658 (4-[({[(1S)-4-carbamimidamido-1-[(4-nitrophenyl)car...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc. Curated by ChEMBL | Assay Description Inhibitory activity against coagulation factor II (thrombin). | Bioorg Med Chem Lett 10: 13-6 (2000) BindingDB Entry DOI: 10.7270/Q2CR5SM3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Bos taurus) | BDBM12658 (4-[({[(1S)-4-carbamimidamido-1-[(4-nitrophenyl)car...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
COR Therapeutics, Inc. Curated by ChEMBL | Assay Description Inhibitory activity against bovine coagulation factor X | Bioorg Med Chem Lett 10: 13-6 (2000) BindingDB Entry DOI: 10.7270/Q2CR5SM3 | |||||||||||
More data for this Ligand-Target Pair |