BDBM50315246 4-(2-methyl-4-(3-(3,4,5-trimethoxyphenyl)quinoxalin-5-yl)benzyl)morpholine::CHEMBL1093454

SMILES: COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(C)c3)c2n1

InChI Key: InChIKey=GIEHCMJOLMYDLH-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50315246   

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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50315246 (4-(2-methyl-4-(3-(3,4,5-trimethoxyphenyl)quinoxali...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(C)c3)c2n1 Show InChI InChI=1S/C29H31N3O4/c1-19-14-20(8-9-21(19)18-32-10-12-36-13-11-32)23-6-5-7-24-28(23)31-25(17-30-24)22-15-26(33-2)29(35-4)27(16-22)34-3/h5-9,14-17H,10-13,18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK1 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50315246 (4-(2-methyl-4-(3-(3,4,5-trimethoxyphenyl)quinoxali...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(C)c3)c2n1 Show InChI InChI=1S/C29H31N3O4/c1-19-14-20(8-9-21(19)18-32-10-12-36-13-11-32)23-6-5-7-24-28(23)31-25(17-30-24)22-15-26(33-2)29(35-4)27(16-22)34-3/h5-9,14-17H,10-13,18H2,1-4H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged TYK2 protein after 60 mins using FITC-Ahx-KKSRGDYMTMQIG-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50315246 (4-(2-methyl-4-(3-(3,4,5-trimethoxyphenyl)quinoxali...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(C)c3)c2n1 Show InChI InChI=1S/C29H31N3O4/c1-19-14-20(8-9-21(19)18-32-10-12-36-13-11-32)23-6-5-7-24-28(23)31-25(17-30-24)22-15-26(33-2)29(35-4)27(16-22)34-3/h5-9,14-17H,10-13,18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK3 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50315246 (4-(2-methyl-4-(3-(3,4,5-trimethoxyphenyl)quinoxali...) Show SMILES COc1cc(cc(OC)c1OC)-c1cnc2cccc(-c3ccc(CN4CCOCC4)c(C)c3)c2n1 Show InChI InChI=1S/C29H31N3O4/c1-19-14-20(8-9-21(19)18-32-10-12-36-13-11-32)23-6-5-7-24-28(23)31-25(17-30-24)22-15-26(33-2)29(35-4)27(16-22)34-3/h5-9,14-17H,10-13,18H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	195	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of recombinant GST tagged JAK2 protein after 60 mins using FITC-GGEEEEYFELVKKKK-NH2 substrate				Bioorg Med Chem Lett 20: 2609-13 (2010) Article DOI: 10.1016/j.bmcl.2010.02.056 BindingDB Entry DOI: 10.7270/Q2862GKB
					More data for this Ligand-Target Pair