BDBM50526423 CHEMBL4580172

SMILES: Cc1cc2c(NC(=O)C#CC=C)cccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1

InChI Key: InChIKey=UYZXMMFRSXUFPJ-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 = 50526423   

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))	BDBM50526423 (CHEMBL4580172) Show SMILES Cc1cc2c(NC(=O)C#CC=C)cccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C29H27N5O/c1-3-4-17-27(35)31-25-15-10-16-26-23(25)18-20(2)34(26)29-32-24-14-9-8-13-22(24)28(33-29)30-19-21-11-6-5-7-12-21/h3,5-7,10-12,15-16,18H,1,8-9,13-14,19H2,2H3,(H,31,35)(H,30,32,33)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	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