BDBM50072027 CHEMBL3407852

SMILES: CNc1ncc2c(F)cc(Oc3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2n1

InChI Key: InChIKey=KFTURBBKSPHDAZ-UHFFFAOYSA-N

Data: 6 IC50  1 EC50

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 7 hits for monomerid = 50072027   

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
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50072027 (CHEMBL3407852) Show SMILES CNc1ncc2c(F)cc(Oc3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2n1 Show InChI InChI=1S/C33H27FN6O3/c1-19-14-15-23(28(35)31(19)43-22-16-25(34)24-18-37-33(36-2)38-26(24)17-22)30(41)27-29(20-10-6-4-7-11-20)39(3)40(32(27)42)21-12-8-5-9-13-21/h4-18H,35H2,1-3H3,(H,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PERK-mediated protein synthesis in human U2OS cells harboring thapsigargin-induced ER stress assessed as incorporation of L-azidohomoal...				J Med Chem 58: 1426-41 (2015) Article DOI: 10.1021/jm5017494 BindingDB Entry DOI: 10.7270/Q27W6DWN
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50072027 (CHEMBL3407852) Show SMILES CNc1ncc2c(F)cc(Oc3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2n1 Show InChI InChI=1S/C33H27FN6O3/c1-19-14-15-23(28(35)31(19)43-22-16-25(34)24-18-37-33(36-2)38-26(24)17-22)30(41)27-29(20-10-6-4-7-11-20)39(3)40(32(27)42)21-12-8-5-9-13-21/h4-18H,35H2,1-3H3,(H,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged PERK expressed in Escherichia coli using AviTag C-terminal, N-terminal His-tagged eIF2alpha (3 to 315) as s...				J Med Chem 58: 1426-41 (2015) Article DOI: 10.1021/jm5017494 BindingDB Entry DOI: 10.7270/Q27W6DWN
					More data for this Ligand-Target Pair
eIF-2-alpha kinase GCN2 (Homo sapiens (Human))	BDBM50072027 (CHEMBL3407852) Show SMILES CNc1ncc2c(F)cc(Oc3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2n1 Show InChI InChI=1S/C33H27FN6O3/c1-19-14-15-23(28(35)31(19)43-22-16-25(34)24-18-37-33(36-2)38-26(24)17-22)30(41)27-29(20-10-6-4-7-11-20)39(3)40(32(27)42)21-12-8-5-9-13-21/h4-18H,35H2,1-3H3,(H,36,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged GCN2 expressed in Escherichia coli using AviTag C-terminal, N-terminal His-tagged eIF2alpha (3 to 315) as s...				J Med Chem 58: 1426-41 (2015) Article DOI: 10.1021/jm5017494 BindingDB Entry DOI: 10.7270/Q27W6DWN
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50072027 (CHEMBL3407852) Show SMILES CNc1ncc2c(F)cc(Oc3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2n1 Show InChI InChI=1S/C33H27FN6O3/c1-19-14-15-23(28(35)31(19)43-22-16-25(34)24-18-37-33(36-2)38-26(24)17-22)30(41)27-29(20-10-6-4-7-11-20)39(3)40(32(27)42)21-12-8-5-9-13-21/h4-18H,35H2,1-3H3,(H,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of PERK in human HT1080 cells assessed as inhibition of thapsigargin-induced CHoP mRNA expression preincubated for 1 hr followed by thapsi...				J Med Chem 58: 1426-41 (2015) Article DOI: 10.1021/jm5017494 BindingDB Entry DOI: 10.7270/Q27W6DWN
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50072027 (CHEMBL3407852) Show SMILES CNc1ncc2c(F)cc(Oc3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2n1 Show InChI InChI=1S/C33H27FN6O3/c1-19-14-15-23(28(35)31(19)43-22-16-25(34)24-18-37-33(36-2)38-26(24)17-22)30(41)27-29(20-10-6-4-7-11-20)39(3)40(32(27)42)21-12-8-5-9-13-21/h4-18H,35H2,1-3H3,(H,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of doxycycline-inducible T-REx-PERK-FLAG (unknown origin) autophosphorylation tranfected in human HT1080 cells after 1 hr by sandwich ELIS...				J Med Chem 58: 1426-41 (2015) Article DOI: 10.1021/jm5017494 BindingDB Entry DOI: 10.7270/Q27W6DWN
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM50072027 (CHEMBL3407852) Show SMILES CNc1ncc2c(F)cc(Oc3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2n1 Show InChI InChI=1S/C33H27FN6O3/c1-19-14-15-23(28(35)31(19)43-22-16-25(34)24-18-37-33(36-2)38-26(24)17-22)30(41)27-29(20-10-6-4-7-11-20)39(3)40(32(27)42)21-12-8-5-9-13-21/h4-18H,35H2,1-3H3,(H,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of GCN2 in amino acid starved human HT1080 cells assessed as inhibition of CHoP mRNA expression preincubated for 1 hr followed by 2 hrs in...				J Med Chem 58: 1426-41 (2015) Article DOI: 10.1021/jm5017494 BindingDB Entry DOI: 10.7270/Q27W6DWN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50072027 (CHEMBL3407852) Show SMILES CNc1ncc2c(F)cc(Oc3c(C)ccc(C(=O)c4c(-c5ccccc5)n(C)n(-c5ccccc5)c4=O)c3N)cc2n1 Show InChI InChI=1S/C33H27FN6O3/c1-19-14-15-23(28(35)31(19)43-22-16-25(34)24-18-37-33(36-2)38-26(24)17-22)30(41)27-29(20-10-6-4-7-11-20)39(3)40(32(27)42)21-12-8-5-9-13-21/h4-18H,35H2,1-3H3,(H,36,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant BRAF V600E kinase domain mutant (unknown origin)				J Med Chem 58: 1426-41 (2015) Article DOI: 10.1021/jm5017494 BindingDB Entry DOI: 10.7270/Q27W6DWN
					More data for this Ligand-Target Pair