BDBM12569 GTC000006A::N-(6-chloronaphthalen-2-yl)-N'-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-2-oxobutane-1-sulfonamido::pyrrolidin-2-one-based inhibitor 28
SMILES: CCC(=O)CN([C@H]1CCN([C@@H](C)C(=O)N2CCOCC2)C1=O)S(=O)(=O)c1ccc2cc(Cl)ccc2c1
InChI Key: InChIKey=DSPUJUOXCWMCJY-SBUREZEXSA-N
PDB links: 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)) | BDBM12569 (GTC000006A | N-(6-chloronaphthalen-2-yl)-N'-[(3S)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1 | -12.3 | 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: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM12569 (GTC000006A | N-(6-chloronaphthalen-2-yl)-N'-[(3S)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | D3R | n/a | n/a | 1.11 | n/a | n/a | n/a | n/a | n/a | n/a |
D3R | Assay Description D3R246 | D3R 246: (2015) BindingDB Entry DOI: 10.7270/Q2BV7FGN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM12569 (GTC000006A | N-(6-chloronaphthalen-2-yl)-N'-[(3S)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | D3R | n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
D3R | Assay Description D3R245 | D3R 245: (2015) BindingDB Entry DOI: 10.7270/Q2GM865X | |||||||||||
More data for this Ligand-Target Pair |