BDBM50468112 CHEMBL4277404

SMILES: CC(C)N1CCN(CC1)C1(CNC2CCN(CC2)c2cccc(c2)-c2cc3cc(F)ccc3[nH]2)COC1

InChI Key: InChIKey=UTPLVVVRULZSDS-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50468112   

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))	BDBM50468112 (CHEMBL4277404 | US11247985, Table 3.63) Show SMILES CC(C)N1CCN(CC1)C1(CNC2CCN(CC2)c2cccc(c2)-c2cc3cc(F)ccc3[nH]2)COC1 Show InChI InChI=1S/C30H40FN5O/c1-22(2)34-12-14-36(15-13-34)30(20-37-21-30)19-32-26-8-10-35(11-9-26)27-5-3-4-23(17-27)29-18-24-16-25(31)6-7-28(24)33-29/h3-7,16-18,22,26,32-33H,8-15,19-21H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Transitional endoplasmic reticulum ATPase (Homo sapiens (Human))	BDBM50468112 (CHEMBL4277404 | US11247985, Table 3.63) Show SMILES CC(C)N1CCN(CC1)C1(CNC2CCN(CC2)c2cccc(c2)-c2cc3cc(F)ccc3[nH]2)COC1 Show InChI InChI=1S/C30H40FN5O/c1-22(2)34-12-14-36(15-13-34)30(20-37-21-30)19-32-26-8-10-35(11-9-26)27-5-3-4-23(17-27)29-18-24-16-25(31)6-7-28(24)33-29/h3-7,16-18,22,26,32-33H,8-15,19-21H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of recombinant full length human p97 (1 to 806 residues) expressed in Escherichia coli Rosetta 2 (DE3) using 100 uM ATP as substrate after...				ACS Med Chem Lett 9: 1075-1081 (2018) Article DOI: 10.1021/acsmedchemlett.8b00372 BindingDB Entry DOI: 10.7270/Q23F4SBJ
					More data for this Ligand-Target Pair