BDBM13290 3-{[(3S)-2-oxo-3-[(4-phenylbenzene)sulfonamido]pyrrolidin-1-yl]methyl}benzene-1-carboximidamide::Biphenyl-4-sulfonic Acid {1-[3-(Aminoiminomethyl)benzyl]-2-oxopyrrolidin-3-(S)-yl}amide::CHEMBL333548::Sulfonamidopyrrolidinone 3c
SMILES: NC(=N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(cc3)-c3ccccc3)C2=O)c1
InChI Key: InChIKey=WQWOHPVWTNJMHH-QFIPXVFZSA-N
Data: 5 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)) | BDBM13290 (3-{[(3S)-2-oxo-3-[(4-phenylbenzene)sulfonamido]pyr...) | 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 | 160 | 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 | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM13290 (3-{[(3S)-2-oxo-3-[(4-phenylbenzene)sulfonamido]pyr...) | 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 | 160 | -9.17 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Rhone-Poulenc Rorer | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | J Med Chem 42: 3572-87 (1999) Article DOI: 10.1021/jm990041+ BindingDB Entry DOI: 10.7270/Q2KW5D9R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM13290 (3-{[(3S)-2-oxo-3-[(4-phenylbenzene)sulfonamido]pyr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >2.90E+3 | >-7.47 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Rhone-Poulenc Rorer | Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su... | J Med Chem 42: 3572-87 (1999) Article DOI: 10.1021/jm990041+ BindingDB Entry DOI: 10.7270/Q2KW5D9R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin II (Bos taurus) | BDBM13290 (3-{[(3S)-2-oxo-3-[(4-phenylbenzene)sulfonamido]pyr...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >2.90E+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 | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM13290 (3-{[(3S)-2-oxo-3-[(4-phenylbenzene)sulfonamido]pyr...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | >4.00E+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 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 |