BDBM13288 Sulfonamidopyrrolidinone 27::methyl 2-(4-carbamimidoyl-2-{[(3S)-3-[(7-methoxynaphthalene-2-)sulfonamido]-2-oxopyrrolidin-1-yl]methyl}phenoxy)acetate::{4-(Aminoiminomethyl)-2-[3-(S)-(7-methoxynaphthalen-2-ylsulfonylamino)-2-oxopyrrolidin-1-ylmethyl]phenoxy}acetic Acid Methyl Ester
SMILES: COC(=O)COc1ccc(cc1CN1CC[C@H](NS(=O)(=O)c2ccc3ccc(OC)cc3c2)C1=O)C(N)=N
InChI Key: InChIKey=HHGGWCFPUIXQJD-QFIPXVFZSA-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)) | BDBM13288 (Sulfonamidopyrrolidinone 27 | methyl 2-(4-carbamim...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 7.94 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rheinische Friedrich-Wilhelms-Universita£t Curated by ChEMBL | Assay Description Inhibition of human factor 10a | J Med Chem 54: 2944-51 (2011) Article DOI: 10.1021/jm200026b BindingDB Entry DOI: 10.7270/Q2ZG6TGM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM13288 (Sulfonamidopyrrolidinone 27 | methyl 2-(4-carbamim...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 8 | -10.9 | 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)) | BDBM13288 (Sulfonamidopyrrolidinone 27 | methyl 2-(4-carbamim...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 12 | -10.7 | 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 |