BDBM50445480 CHEMBL3104860

SMILES: CC1(C)Cc2c(ccn2-c2cc(F)c(C(N)=O)c(N[C@H]3CCOC3)c2)C(=O)C1

InChI Key: InChIKey=GENUPDQCNCBCTQ-LBPRGKRZSA-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 = 50445480   

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
Endoplasmin (Homo sapiens (Human))	BDBM50445480 (CHEMBL3104860) Show SMILES CC1(C)Cc2c(ccn2-c2cc(F)c(C(N)=O)c(N[C@H]3CCOC3)c2)C(=O)C1 |r| Show InChI InChI=1S/C21H24FN3O3/c1-21(2)9-17-14(18(26)10-21)3-5-25(17)13-7-15(22)19(20(23)27)16(8-13)24-12-4-6-28-11-12/h3,5,7-8,12,24H,4,6,9-11H2,1-2H3,(H2,23,27)/t12-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.65E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human N-terminal polyHis-tagged GRP94 (L69 to N337) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence polarizat...				Bioorg Med Chem Lett 24: 204-8 (2013) Article DOI: 10.1016/j.bmcl.2013.11.036 BindingDB Entry DOI: 10.7270/Q2NP25WW
					More data for this Ligand-Target Pair