BDBM50526415 CHEMBL4463689

SMILES: CC#CCNC(=O)c1cccc2n(c(C)cc12)-c1nc2CCCCc2c(NCc2ccccc2)n1

InChI Key: InChIKey=PBJLHIXGDWDLAU-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 = 50526415   

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))	BDBM50526415 (CHEMBL4463689) Show SMILES CC#CCNC(=O)c1cccc2n(c(C)cc12)-c1nc2CCCCc2c(NCc2ccccc2)n1 Show InChI InChI=1S/C29H29N5O/c1-3-4-17-30-28(35)22-14-10-16-26-24(22)18-20(2)34(26)29-32-25-15-9-8-13-23(25)27(33-29)31-19-21-11-6-5-7-12-21/h5-7,10-12,14,16,18H,8-9,13,15,17,19H2,1-2H3,(H,30,35)(H,31,32,33)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	37	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