BDBM50269547 5-desgalloylstachyurin::CHEMBL488110
SMILES: O[C@@H]1[C@@H]2OC(=O)c3c1c(O)c(O)c(O)c3-c1c(O)c(O)c(O)cc1C(=O)O[C@H]2[C@@H]1OC(=O)c2cc(O)c(O)c(O)c2-c2c(O)c(O)c(O)cc2C(=O)OC[C@H]1O
InChI Key: InChIKey=CHBITXAMNKHJCR-VGYCLGPVSA-N
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)) | BDBM50269547 (5-desgalloylstachyurin | CHEMBL488110) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 690 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Inhibition of human factor 10a | J Nat Prod 61: 1356-60 (1999) Article DOI: 10.1021/np9801458 BindingDB Entry DOI: 10.7270/Q2NP2452 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thrombin (Bos taurus (Bovine)) | BDBM50269547 (5-desgalloylstachyurin | CHEMBL488110) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 830 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Inhibition of bovine thrombin by Lineweaver-Burk plot analysis | J Nat Prod 61: 1356-60 (1999) Article DOI: 10.1021/np9801458 BindingDB Entry DOI: 10.7270/Q2NP2452 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thrombin (Bos taurus (Bovine)) | BDBM50269547 (5-desgalloylstachyurin | CHEMBL488110) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Inhibition of bovine thrombin-catalyzed hydrolysis of S-2238 | J Nat Prod 61: 1356-60 (1999) Article DOI: 10.1021/np9801458 BindingDB Entry DOI: 10.7270/Q2NP2452 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50269547 (5-desgalloylstachyurin | CHEMBL488110) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Inhibition of human factor 10a-catalyzed hydrolysis of S-2222 | J Nat Prod 61: 1356-60 (1999) Article DOI: 10.1021/np9801458 BindingDB Entry DOI: 10.7270/Q2NP2452 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thrombin (Bos taurus (Bovine)) | BDBM50269547 (5-desgalloylstachyurin | CHEMBL488110) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Singapore Curated by ChEMBL | Assay Description Inhibition of bovine thrombin-catalyzed hydrolysis of fibrinogen | J Nat Prod 61: 1356-60 (1999) Article DOI: 10.1021/np9801458 BindingDB Entry DOI: 10.7270/Q2NP2452 | |||||||||||
More data for this Ligand-Target Pair |