BDBM50514004 CHEMBL4476693

SMILES: [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(Sc2ncc(COc3cc(F)c(cc3F)C#CCOC(=O)NC3CCN(C)CC3)n2-c2cccnc2)C1([2H])[2H]

InChI Key: InChIKey=VTJPUMGWNNKTDP-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50514004   

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))	BDBM50514004 (CHEMBL4476693) Show SMILES [2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(Sc2ncc(COc3cc(F)c(cc3F)C#CCOC(=O)NC3CCN(C)CC3)n2-c2cccnc2)C1([2H])[2H] Show InChI InChI=1S/C30H33F2N5O3S/c1-36-13-10-22(11-14-36)35-30(38)39-15-5-6-21-16-27(32)28(17-26(21)31)40-20-24-19-34-29(41-25-8-2-3-9-25)37(24)23-7-4-12-33-18-23/h4,7,12,16-19,22,25H,2-3,8-11,13-15,20H2,1H3,(H,35,38)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of p97 (unknown origin) assessed as reduction in ATPase activity by biomol green reagent based assay				J Med Chem 63: 1892-1907 (2020) Article DOI: 10.1021/acs.jmedchem.9b01318
					More data for this Ligand-Target Pair