BDBM50080485 3-[[(S)-1-(3-Carbamimidoyl-benzyl)-2-oxo-pyrrolidin-3-yl]-(7-methoxy-naphthalene-2-sulfonyl)-amino]-propionamide::CHEMBL325529
SMILES: COc1ccc2ccc(cc2c1)S(=O)(=O)N(CCC(N)=O)[C@H]1CCN(Cc2cccc(c2)C(N)=N)C1=O
InChI Key: InChIKey=HTCFCAJBGNVBRU-QHCPKHFHSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor X (Homo sapiens (Human)) | BDBM50080485 (3-[[(S)-1-(3-Carbamimidoyl-benzyl)-2-oxo-pyrrolidi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Curated by ChEMBL | Assay Description Compound was evaluated for the inhibition of human Coagulation factor Xa | J Med Chem 42: 3557-71 (1999) Article DOI: 10.1021/jm990040h BindingDB Entry DOI: 10.7270/Q2M04640 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50080485 (3-[[(S)-1-(3-Carbamimidoyl-benzyl)-2-oxo-pyrrolidi...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Curated by ChEMBL | Assay Description Inhibition of human thrombin | J Med Chem 42: 3557-71 (1999) Article DOI: 10.1021/jm990040h BindingDB Entry DOI: 10.7270/Q2M04640 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin II (Bos taurus) | BDBM50080485 (3-[[(S)-1-(3-Carbamimidoyl-benzyl)-2-oxo-pyrrolidi...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Curated by ChEMBL | Assay Description Inhibitory activity against bovine pancreatic trypsin | J Med Chem 42: 3557-71 (1999) Article DOI: 10.1021/jm990040h BindingDB Entry DOI: 10.7270/Q2M04640 | |||||||||||
More data for this Ligand-Target Pair |