BDBM50158906 CHEMBL3785307

SMILES: CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(C)ccc3[nH]2)CC1

InChI Key: InChIKey=MZPWQXQUINTXOH-UHFFFAOYSA-N

Data: 2 IC50

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 = 50158906   

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))	BDBM50158906 (CHEMBL3785307) Show SMILES CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(C)ccc3[nH]2)CC1 Show InChI InChI=1S/C29H41N5/c1-22(2)33-17-15-32(16-18-33)14-11-30-26-9-12-34(13-10-26)27-6-4-5-24(20-27)29-21-25-19-23(3)7-8-28(25)31-29/h4-8,19-22,26,30-31H,9-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of p97 (unknown origin) by ADP-Glo assay				J Med Chem 63: 1892-1907 (2020) Article DOI: 10.1021/acs.jmedchem.9b01318
					More data for this Ligand-Target Pair
Valosin containing protein, p97 subunit (Homo sapiens (Human))	BDBM50158906 (CHEMBL3785307) Show SMILES CC(C)N1CCN(CCNC2CCN(CC2)c2cccc(c2)-c2cc3cc(C)ccc3[nH]2)CC1 Show InChI InChI=1S/C29H41N5/c1-22(2)33-17-15-32(16-18-33)14-11-30-26-9-12-34(13-10-26)27-6-4-5-24(20-27)29-21-25-19-23(3)7-8-28(25)31-29/h4-8,19-22,26,30-31H,9-18H2,1-3H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of wild type human AAA ATPase p97 expressed in Escherichia coli measured by ADPGlo assay in presence of 100 uM ATP				ACS Med Chem Lett 6: 1225-30 (2015) BindingDB Entry DOI: 10.7270/Q2C82C6S
					More data for this Ligand-Target Pair