BDBM12568 2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]sulfonamido]acetamide::GTC000005A::pyrrolidin-2-one-based inhibitor 27
SMILES: C[C@H](N1CC[C@H](N(CC(N)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1
InChI Key: InChIKey=DRTYVXQQGDRUEW-YWZLYKJASA-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)) | BDBM12568 (2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpho...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 3 | -11.6 | 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)) | BDBM12568 (2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpho...) | 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 | 4.41 | 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)) | BDBM12568 (2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpho...) | 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 | 21.2 | 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 |