BDBM50351255 CHEMBL1818525

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

InChI Key: InChIKey=QAINHNNAIDVCEZ-OAQYLSRUSA-N

Data: 1 IC50  1 EC50

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 = 50351255   

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-like protein 1 (Homo sapiens (Human))	BDBM50351255 (CHEMBL1818525) Show SMILES COc1ccc(cc1)C(SC[C@@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	600	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
					More data for this Ligand-Target Pair
Kinesin-like protein 1 (Homo sapiens (Human))	BDBM50351255 (CHEMBL1818525) Show SMILES COc1ccc(cc1)C(SC[C@@H](N)C(O)=O)(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H23NO3S/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26/h2-15,21H,16,24H2,1H3,(H,25,26)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	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
					More data for this Ligand-Target Pair