BDBM12546 5-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-1-benzothiophene-2-sulfonamide::Arylsulfonamide 1b::N-[(3S)-2-oxopyrrolidin-3-yl]sulfonamide, 1d
SMILES: C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3cc(Cl)ccc3s2)C1=O)C(=O)N1CCOCC1
InChI Key: InChIKey=LTJNKFUIOOJXNJ-WFASDCNBSA-N
Data: 2 KI
PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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)) | BDBM12546 (5-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 47 | -9.89 | n/a | n/a | n/a | n/a | n/a | 7.4 | 22 |
GSK | Assay Description The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg... | J Med Chem 50: 1546-57 (2007) Article DOI: 10.1021/jm060870c BindingDB Entry DOI: 10.7270/Q2F18X06 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM12546 (5-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | 47 | -9.99 | n/a | n/a | n/a | n/a | n/a | 7.8 | 25 |
GlaxoSmithKline | Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate... | Bioorg Med Chem Lett 16: 5731-5 (2006) Article DOI: 10.1016/j.bmcl.2006.08.092 BindingDB Entry DOI: 10.7270/Q27S7M0T | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |