BDBM50315237 4-(2,6-difluoro-4-(3-(4-(4-methylpiperazin-1-yl)phenyl)quinoxalin-5-yl)benzyl)morpholine::CHEMBL1089773

SMILES: CN1CCN(CC1)c1ccc(cc1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1

InChI Key: InChIKey=LBZZVBOHWAZYRL-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 = 50315237   

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
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM50315237 (4-(2,6-difluoro-4-(3-(4-(4-methylpiperazin-1-yl)ph...) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1 Show InChI InChI=1S/C30H31F2N5O/c1-35-9-11-37(12-10-35)23-7-5-21(6-8-23)29-19-33-28-4-2-3-24(30(28)34-29)22-17-26(31)25(27(32)18-22)20-36-13-15-38-16-14-36/h2-8,17-19H,9-16,20H2,1H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	94	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))	BDBM50315237 (4-(2,6-difluoro-4-(3-(4-(4-methylpiperazin-1-yl)ph...) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1 Show InChI InChI=1S/C30H31F2N5O/c1-35-9-11-37(12-10-35)23-7-5-21(6-8-23)29-19-33-28-4-2-3-24(30(28)34-29)22-17-26(31)25(27(32)18-22)20-36-13-15-38-16-14-36/h2-8,17-19H,9-16,20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	166	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))	BDBM50315237 (4-(2,6-difluoro-4-(3-(4-(4-methylpiperazin-1-yl)ph...) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1 Show InChI InChI=1S/C30H31F2N5O/c1-35-9-11-37(12-10-35)23-7-5-21(6-8-23)29-19-33-28-4-2-3-24(30(28)34-29)22-17-26(31)25(27(32)18-22)20-36-13-15-38-16-14-36/h2-8,17-19H,9-16,20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.30	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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50315237 (4-(2,6-difluoro-4-(3-(4-(4-methylpiperazin-1-yl)ph...) Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2cccc(-c3cc(F)c(CN4CCOCC4)c(F)c3)c2n1 Show InChI InChI=1S/C30H31F2N5O/c1-35-9-11-37(12-10-35)23-7-5-21(6-8-23)29-19-33-28-4-2-3-24(30(28)34-29)22-17-26(31)25(27(32)18-22)20-36-13-15-38-16-14-36/h2-8,17-19H,9-16,20H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	28	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