BDBM23780 (2R)-2-amino-3-[(naphthalen-2-yldiphenylmethyl)sulfanyl]propanoic acid::S-Trityl-L-Cysteine (STLC) Analogue, 9
SMILES: N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1)C(O)=O
InChI Key: InChIKey=BCBSYXGYLMMICN-DEOSSOPVSA-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 |
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Kinesin-like protein 1 (Homo sapiens (Human)) | BDBM23780 ((2R)-2-amino-3-[(naphthalen-2-yldiphenylmethyl)sul...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | Article PubMed | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Beatson Institute for Cancer Research Curated by ChEMBL | Assay Description Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction... | J Med Chem 55: 1511-25 (2012) Article DOI: 10.1021/jm201195m BindingDB Entry DOI: 10.7270/Q2CZ386T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kinesin Spindle Protein Eg5 (Homo sapiens (Human)) | BDBM23780 ((2R)-2-amino-3-[(naphthalen-2-yldiphenylmethyl)sul...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | Article PubMed | 200 | -9.04 | n/a | n/a | n/a | n/a | n/a | 6.9 | 22 |
Institut de Biologie Structurale | Assay Description The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E... | J Med Chem 51: 1115-25 (2008) Article DOI: 10.1021/jm070606z BindingDB Entry DOI: 10.7270/Q2DJ5CXD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kinesin-like protein 1 (Homo sapiens (Human)) | BDBM23780 ((2R)-2-amino-3-[(naphthalen-2-yldiphenylmethyl)sul...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 16.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute for Cancer Research Curated by ChEMBL | Assay Description Inhibition of C-terminal His6-tagged human Eg5 microtubule-stimulated ATPase activity | J Med Chem 54: 1576-86 (2011) Article DOI: 10.1021/jm100991m BindingDB Entry DOI: 10.7270/Q2154HC9 | |||||||||||
More data for this Ligand-Target Pair |