BindingDB PrimarySearch

BDBM50315231 4-(2,6-difluoro-4-(3-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)quinoxalin-5-yl)benzyl)morpholine::8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(1-piperidin-4-yl-1H-pyrazol-4-yl)quinoxaline::CHEMBL1092926

SMILES: Fc1cc(cc(F)c1CN1CCOCC1)-c1cccc2ncc(nc12)-c1cnn(c1)C1CCNCC1

InChI Key: InChIKey=IBPVXAOOVUAOKJ-UHFFFAOYSA-N

Data: 5 IC50 1 Kd

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50315231
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50315231 (4-(2,6-difluoro-4-(3-(1-(piperidin-4-yl)-1H-pyrazo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of ABL				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))	BDBM50315231 (4-(2,6-difluoro-4-(3-(1-(piperidin-4-yl)-1H-pyrazo...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	384	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 JAK2 (Homo sapiens (Human))	BDBM50315231 (4-(2,6-difluoro-4-(3-(1-(piperidin-4-yl)-1H-pyrazo...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	n/a	4.20E+4	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Binding affinity to wild type JAK2 JH2 domain (unknown origin) by competitive fluorescence polarization assay				ACS Med Chem Lett 8: 614-617 (2017) Article DOI: 10.1021/acsmedchemlett.7b00154 BindingDB Entry DOI: 10.7270/Q2F76FZ8
Yale University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50315231 (4-(2,6-difluoro-4-(3-(1-(piperidin-4-yl)-1H-pyrazo...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	7.30	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				3D Structure (crystal)
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50315231 (4-(2,6-difluoro-4-(3-(1-(piperidin-4-yl)-1H-pyrazo...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	610	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 JAK1 (Homo sapiens (Human))	BDBM50315231 (4-(2,6-difluoro-4-(3-(1-(piperidin-4-yl)-1H-pyrazo...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	303	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