BDBM50045561 CHEMBL3314277

SMILES: OCCn1cc(nn1)-c1ccc(cc1)-c1nc(c([nH]1)-c1cc[nH]c(=O)c1)-c1ccc(F)cc1

InChI Key: InChIKey=HJPSQYDUHYYPLU-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50045561   

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
Mitogen-activated protein kinase 14 (Homo sapiens (Human))	BDBM50045561 (CHEMBL3314277) Show SMILES OCCn1cc(nn1)-c1ccc(cc1)-c1nc(c([nH]1)-c1cc[nH]c(=O)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H19FN6O2/c25-19-7-5-16(6-8-19)22-23(18-9-10-26-21(33)13-18)28-24(27-22)17-3-1-15(2-4-17)20-14-31(11-12-32)30-29-20/h1-10,13-14,32H,11-12H2,(H,26,33)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of p38alpha MAPK (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 3412-8 (2014) Article DOI: 10.1016/j.bmcl.2014.05.080 BindingDB Entry DOI: 10.7270/Q2D50PKZ
					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM50045561 (CHEMBL3314277) Show SMILES OCCn1cc(nn1)-c1ccc(cc1)-c1nc(c([nH]1)-c1cc[nH]c(=O)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H19FN6O2/c25-19-7-5-16(6-8-19)22-23(18-9-10-26-21(33)13-18)28-24(27-22)17-3-1-15(2-4-17)20-14-31(11-12-32)30-29-20/h1-10,13-14,32H,11-12H2,(H,26,33)(H,27,28)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of CK1-delta (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 3412-8 (2014) Article DOI: 10.1016/j.bmcl.2014.05.080 BindingDB Entry DOI: 10.7270/Q2D50PKZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50045561 (CHEMBL3314277) Show SMILES OCCn1cc(nn1)-c1ccc(cc1)-c1nc(c([nH]1)-c1cc[nH]c(=O)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H19FN6O2/c25-19-7-5-16(6-8-19)22-23(18-9-10-26-21(33)13-18)28-24(27-22)17-3-1-15(2-4-17)20-14-31(11-12-32)30-29-20/h1-10,13-14,32H,11-12H2,(H,26,33)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 3412-8 (2014) Article DOI: 10.1016/j.bmcl.2014.05.080 BindingDB Entry DOI: 10.7270/Q2D50PKZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50045561 (CHEMBL3314277) Show SMILES OCCn1cc(nn1)-c1ccc(cc1)-c1nc(c([nH]1)-c1cc[nH]c(=O)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H19FN6O2/c25-19-7-5-16(6-8-19)22-23(18-9-10-26-21(33)13-18)28-24(27-22)17-3-1-15(2-4-17)20-14-31(11-12-32)30-29-20/h1-10,13-14,32H,11-12H2,(H,26,33)(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of JAK2 (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 3412-8 (2014) Article DOI: 10.1016/j.bmcl.2014.05.080 BindingDB Entry DOI: 10.7270/Q2D50PKZ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50045561 (CHEMBL3314277) Show SMILES OCCn1cc(nn1)-c1ccc(cc1)-c1nc(c([nH]1)-c1cc[nH]c(=O)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H19FN6O2/c25-19-7-5-16(6-8-19)22-23(18-9-10-26-21(33)13-18)28-24(27-22)17-3-1-15(2-4-17)20-14-31(11-12-32)30-29-20/h1-10,13-14,32H,11-12H2,(H,26,33)(H,27,28)	PDB 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+4	n/a	n/a	n/a	n/a	n/a	n/a
Syncom B.V. Curated by ChEMBL					Assay Description Inhibition of JAK1 (unknown origin) by radiometric assay				Bioorg Med Chem Lett 24: 3412-8 (2014) Article DOI: 10.1016/j.bmcl.2014.05.080 BindingDB Entry DOI: 10.7270/Q2D50PKZ
					More data for this Ligand-Target Pair