BDBM50526412 CHEMBL4551165

SMILES: CCCC#CC(=O)Nc1cccc2n(c(C)cc12)-c1nc2CCCCc2c(NCc2ccccc2)n1

InChI Key: InChIKey=OFOPSXAAUKZUCN-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50526412   

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
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50526412 (CHEMBL4551165) Show SMILES CCCC#CC(=O)Nc1cccc2n(c(C)cc12)-c1nc2CCCCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C30H31N5O/c1-3-4-6-18-28(36)32-26-16-11-17-27-24(26)19-21(2)35(27)30-33-25-15-10-9-14-23(25)29(34-30)31-20-22-12-7-5-8-13-22/h5,7-8,11-13,16-17,19H,3-4,9-10,14-15,20H2,1-2H3,(H,32,36)(H,31,33,34)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of His-tagged p97 (unknown origin) in presence of ATP and PNP by UV-transparent microplate assay				J Med Chem 62: 2814-2829 (2019) Article DOI: 10.1021/acs.jmedchem.9b00144
					More data for this Ligand-Target Pair