BDBM24174 3-N,3-N-diethyl-5,5-dimethyl-2-N-(thiophene-2-)-4,5,6,7-tetrahydro-1-benzothiophene-2,3-diamido::thiophene containing compound, 37

SMILES: CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCC(C)(C)Cc12

InChI Key: InChIKey=BCQPPORYBRTCLZ-UHFFFAOYSA-N

Data: 2 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 = 24174   

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))	BDBM24174 (3-N,3-N-diethyl-5,5-dimethyl-2-N-(thiophene-2-)-4,...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCC(C)(C)Cc12 Show InChI InChI=1S/C20H26N2O2S2/c1-5-22(6-2)19(24)16-13-12-20(3,4)10-9-14(13)26-18(16)21-17(23)15-8-7-11-25-15/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of KwaZulu-Natal (UKZN) Curated by ChEMBL					Assay Description Inhibition EG5 (unknown origin)				Bioorg Med Chem Lett 28: 2930-2938 (2018) Article DOI: 10.1016/j.bmcl.2018.07.007 BindingDB Entry DOI: 10.7270/Q2542R80
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kinesin Spindle Protein Eg5 (Homo sapiens (Human))	BDBM24174 (3-N,3-N-diethyl-5,5-dimethyl-2-N-(thiophene-2-)-4,...) Show SMILES CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2CCC(C)(C)Cc12 Show InChI InChI=1S/C20H26N2O2S2/c1-5-22(6-2)19(24)16-13-12-20(3,4)10-9-14(13)26-18(16)21-17(23)15-8-7-11-25-15/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	7.0	22
Kalypsys, Inc.					Assay Description KSP ATPase activity was determined by measuring production of ADP (ADPQuest Assay, DiscoverX). Raw fluorescence data were normalized to negative (DMS...				Bioorg Med Chem Lett 17: 3562-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.076 BindingDB Entry DOI: 10.7270/Q2QV3JT8
					More data for this Ligand-Target Pair				3D Structure (crystal)