BDBM50303044 (S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-5-(5-methyl-1H-pyrazol-3-ylamino)pyrazine-2-carbonitrile::CHEMBL576257

SMILES: C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ccc(F)cn1

InChI Key: InChIKey=KJMALBRUCRDMTE-JTQLQIEISA-N

Data: 9 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 9 hits for monomerid = 50303044   

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 JAK3 (Homo sapiens (Human))	BDBM50303044 ((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-5-(5-me...) Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ccc(F)cn1 |r| Show InChI InChI=1S/C16H15FN8/c1-9-5-14(25-24-9)22-15-8-20-13(6-18)16(23-15)21-10(2)12-4-3-11(17)7-19-12/h3-5,7-8,10H,1-2H3,(H3,21,22,23,24,25)/t10-/m0/s1	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	5.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of JAK3 using 5 mM ATP as a substrate				Bioorg Med Chem Lett 19: 6524-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.054 BindingDB Entry DOI: 10.7270/Q2CV4HT4
					More data for this Ligand-Target Pair
Aurora kinase B (Homo sapiens (Human))	BDBM50303044 ((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-5-(5-me...) Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ccc(F)cn1 |r| Show InChI InChI=1S/C16H15FN8/c1-9-5-14(25-24-9)22-15-8-20-13(6-18)16(23-15)21-10(2)12-4-3-11(17)7-19-12/h3-5,7-8,10H,1-2H3,(H3,21,22,23,24,25)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Aurora B				Bioorg Med Chem Lett 19: 6524-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.054 BindingDB Entry DOI: 10.7270/Q2CV4HT4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50303044 ((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-5-(5-me...) Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ccc(F)cn1 |r| Show InChI InChI=1S/C16H15FN8/c1-9-5-14(25-24-9)22-15-8-20-13(6-18)16(23-15)21-10(2)12-4-3-11(17)7-19-12/h3-5,7-8,10H,1-2H3,(H3,21,22,23,24,25)/t10-/m0/s1	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	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of JAK2 using 5 mM ATP as a substrate				Bioorg Med Chem Lett 19: 6524-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.054 BindingDB Entry DOI: 10.7270/Q2CV4HT4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50303044 ((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-5-(5-me...) Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ccc(F)cn1 |r| Show InChI InChI=1S/C16H15FN8/c1-9-5-14(25-24-9)22-15-8-20-13(6-18)16(23-15)21-10(2)12-4-3-11(17)7-19-12/h3-5,7-8,10H,1-2H3,(H3,21,22,23,24,25)/t10-/m0/s1	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	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of JAK2 using 2 mM ATP as a substrate				Bioorg Med Chem Lett 19: 6524-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.054 BindingDB Entry DOI: 10.7270/Q2CV4HT4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50303044 ((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-5-(5-me...) Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ccc(F)cn1 |r| Show InChI InChI=1S/C16H15FN8/c1-9-5-14(25-24-9)22-15-8-20-13(6-18)16(23-15)21-10(2)12-4-3-11(17)7-19-12/h3-5,7-8,10H,1-2H3,(H3,21,22,23,24,25)/t10-/m0/s1	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	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of JAK3 using 5 mM ATP as a substrate				Bioorg Med Chem Lett 19: 6524-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.054 BindingDB Entry DOI: 10.7270/Q2CV4HT4
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50303044 ((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-5-(5-me...) Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ccc(F)cn1 |r| Show InChI InChI=1S/C16H15FN8/c1-9-5-14(25-24-9)22-15-8-20-13(6-18)16(23-15)21-10(2)12-4-3-11(17)7-19-12/h3-5,7-8,10H,1-2H3,(H3,21,22,23,24,25)/t10-/m0/s1	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	30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 19: 6524-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.054 BindingDB Entry DOI: 10.7270/Q2CV4HT4
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM50303044 ((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-5-(5-me...) Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ccc(F)cn1 |r| Show InChI InChI=1S/C16H15FN8/c1-9-5-14(25-24-9)22-15-8-20-13(6-18)16(23-15)21-10(2)12-4-3-11(17)7-19-12/h3-5,7-8,10H,1-2H3,(H3,21,22,23,24,25)/t10-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of TRKA				Bioorg Med Chem Lett 19: 6524-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.054 BindingDB Entry DOI: 10.7270/Q2CV4HT4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50303044 ((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-5-(5-me...) Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ccc(F)cn1 |r| Show InChI InChI=1S/C16H15FN8/c1-9-5-14(25-24-9)22-15-8-20-13(6-18)16(23-15)21-10(2)12-4-3-11(17)7-19-12/h3-5,7-8,10H,1-2H3,(H3,21,22,23,24,25)/t10-/m0/s1	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	3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of JAK2 using 2 mM ATP as a substrate				Bioorg Med Chem Lett 19: 6524-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.054 BindingDB Entry DOI: 10.7270/Q2CV4HT4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50303044 ((S)-3-(1-(5-fluoropyridin-2-yl)ethylamino)-5-(5-me...) Show SMILES C[C@H](Nc1nc(Nc2cc(C)n[nH]2)cnc1C#N)c1ccc(F)cn1 |r| Show InChI InChI=1S/C16H15FN8/c1-9-5-14(25-24-9)22-15-8-20-13(6-18)16(23-15)21-10(2)12-4-3-11(17)7-19-12/h3-5,7-8,10H,1-2H3,(H3,21,22,23,24,25)/t10-/m0/s1	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	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of JAK2 using 2 mM ATP as a substrate				Bioorg Med Chem Lett 19: 6524-8 (2009) Article DOI: 10.1016/j.bmcl.2009.10.054 BindingDB Entry DOI: 10.7270/Q2CV4HT4
					More data for this Ligand-Target Pair