BDBM23820 (2R)-2-amino-3-{[(4-chlorophenyl)diphenylmethyl]sulfanyl}propanoic acid::S-Trityl-L-Cysteine (STLC) Analogue, 49

SMILES: N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(O)=O

InChI Key: InChIKey=BSTXYLCINUXYQF-FQEVSTJZSA-N

Data: 1 KI  1 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 23820   

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
Kinesin Spindle Protein Eg5 (Homo sapiens (Human))	BDBM23820 ((2R)-2-amino-3-{[(4-chlorophenyl)diphenylmethyl]su...) Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C22H20ClNO2S/c23-19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB 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
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin-like protein 1 (Homo sapiens (Human))	BDBM23820 ((2R)-2-amino-3-{[(4-chlorophenyl)diphenylmethyl]su...) Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(O)=O |r| Show InChI InChI=1S/C22H20ClNO2S/c23-19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	53.3	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				3D Structure (crystal)