BindingDB PrimarySearch

BDBM23823 (2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]sulfanyl}propanoic acid::CHEMBL392369::S-Trityl-L-Cysteine (STLC) Analogue, 52

SMILES: COc1ccc(cc1)C(SC[C@H](N)C(O)=O)(c1ccccc1)c1ccccc1

InChI Key: InChIKey=QAINHNNAIDVCEZ-NRFANRHFSA-N

Data: 4 KI 5 IC50 1 EC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 23823
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Kinesin-like protein 1 (Homo sapiens (Human))	BDBM23823 ((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	9.10	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				3D Structure (crystal)
Kinesin-like protein 1 (Homo sapiens (Human))	BDBM23823 ((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	16	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 human N-terminal His6-tagged Eg5 (1 to 368 amino acid residues) motor domain basal ATPase activity expressed in Escherichia coli BL21 (...				J Med Chem 56: 1878-93 (2013) Article DOI: 10.1021/jm3014597 BindingDB Entry DOI: 10.7270/Q20866NN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein 1 (Homo sapiens (Human))	BDBM23823 ((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	22	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 MT-stimulated human N-terminal His6-tagged Eg5 (1 to 368 amino acid residues) motor domain ATPase activity expressed in Escherichia col...				J Med Chem 56: 1878-93 (2013) Article DOI: 10.1021/jm3014597 BindingDB Entry DOI: 10.7270/Q20866NN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin Spindle Protein Eg5 (Homo sapiens (Human))	BDBM23823 ((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	200	-9.13	n/a	n/a	n/a	n/a	n/a	n/a	25
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
Institut de Biologie Structurale					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM23823 ((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.50E+4	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 human ERG channel expressed in CHO cells by Ionworks HT assay				J Med Chem 56: 1878-93 (2013) Article DOI: 10.1021/jm3014597 BindingDB Entry DOI: 10.7270/Q20866NN
					More data for this Ligand-Target Pair
Kinesin-like protein 1 (Homo sapiens (Human))	BDBM23823 ((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a
New Mexico State University Curated by ChEMBL					Assay Description Inhibition of KSP in human HeLa cells assessed as bipolar spindle formation				Bioorg Med Chem 19: 5446-53 (2011) Article DOI: 10.1016/j.bmc.2011.07.054 BindingDB Entry DOI: 10.7270/Q2KP82HC
New Mexico State University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein 1 (Homo sapiens (Human))	BDBM23823 ((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	28.5	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
Institute for Cancer Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein 1 (Homo sapiens (Human))	BDBM23823 ((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Inhibition of Eg5 assessed as inhibition ATP hydrolysis by ATPase assay				Bioorg Med Chem Lett 17: 3921-4 (2007) Article DOI: 10.1016/j.bmcl.2007.04.101 BindingDB Entry DOI: 10.7270/Q2542N8R
University of Shizuoka Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein 1 (Homo sapiens (Human))	BDBM23823 ((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	166	n/a	n/a	n/a	n/a	n/a	n/a
University of Shizuoka Curated by ChEMBL					Assay Description Binding affinity against delta opioid receptor in mouse hot plate test				ACS Med Chem Lett 6: 1004-9 (2015) BindingDB Entry DOI: 10.7270/Q2WM1G76
University of Shizuoka Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein 1 (Homo sapiens (Human))	BDBM23823 ((2R)-2-amino-3-{[(4-methoxyphenyl)diphenylmethyl]s...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
New Mexico State University Curated by ChEMBL					Assay Description Inhibition of human recombinant microtubule-activated KSP motor domain ATPase activity after 10 mins by end-point assay				Bioorg Med Chem 19: 5446-53 (2011) Article DOI: 10.1016/j.bmc.2011.07.054 BindingDB Entry DOI: 10.7270/Q2KP82HC
New Mexico State University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)