Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'kozina' and Initial = 'e'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331809 ((R)-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)pyr...) Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F |r| Show InChI InChI=1S/C16H15F3N4O/c1-8(2)13(16(17,18)19)23-14-9-3-5-20-7-10(9)12-11(22-14)4-6-21-15(12)24/h3-8,13H,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331808 ((R)-9-fluoro-6-(1,1,1-trifluoro-3-methylbutan-2-yl...) Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12)C(F)(F)F |r| Show InChI InChI=1S/C17H15F4N3O/c1-8(2)14(17(19,20)21)24-15-10-4-3-9(18)7-11(10)13-12(23-15)5-6-22-16(13)25/h3-8,14H,1-2H3,(H,22,25)(H,23,24)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24855 (4-{1,2-dihydrospiro[indole-3,4'-piperidine]}-7H-py...) Show SMILES N#Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc34)c12 Show InChI InChI=1S/C19H18N6/c20-9-13-10-22-17-16(13)18(24-12-23-17)25-11-19(5-7-21-8-6-19)14-3-1-2-4-15(14)25/h1-4,10,12,21H,5-8,11H2,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...				Bioorg Med Chem Lett 18: 3359-63 (2008) Article DOI: 10.1016/j.bmcl.2008.04.034 BindingDB Entry DOI: 10.7270/Q2M043QC
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24848 (5-fluoro-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-d...) Show SMILES Fc1ccc2N(CC3(CCNCC3)c2c1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H18FN5/c19-12-1-2-15-14(9-12)18(4-7-20-8-5-18)10-24(15)17-13-3-6-21-16(13)22-11-23-17/h1-3,6,9,11,20H,4-5,7-8,10H2,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...				Bioorg Med Chem Lett 18: 3359-63 (2008) Article DOI: 10.1016/j.bmcl.2008.04.034 BindingDB Entry DOI: 10.7270/Q2M043QC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331824 (6-(2-chloro-4,6-difluorophenylamino)-9-fluorobenzo...) Show SMILES Fc1ccc2c(Nc3c(F)cc(F)cc3Cl)nc3cc[nH]c(=O)c3c2c1 Show InChI InChI=1S/C18H9ClF3N3O/c19-12-6-9(21)7-13(22)16(12)25-17-10-2-1-8(20)5-11(10)15-14(24-17)3-4-23-18(15)26/h1-7H,(H,23,26)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24847 (5-chloro-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-d...) Show SMILES Clc1ccc2N(CC3(CCNCC3)c2c1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H18ClN5/c19-12-1-2-15-14(9-12)18(4-7-20-8-5-18)10-24(15)17-13-3-6-21-16(13)22-11-23-17/h1-3,6,9,11,20H,4-5,7-8,10H2,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...				Bioorg Med Chem Lett 18: 3359-63 (2008) Article DOI: 10.1016/j.bmcl.2008.04.034 BindingDB Entry DOI: 10.7270/Q2M043QC
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24853 (1-{5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-d...) Show SMILES Cc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc34)c12 Show InChI InChI=1S/C19H21N5/c1-13-10-21-17-16(13)18(23-12-22-17)24-11-19(6-8-20-9-7-19)14-4-2-3-5-15(14)24/h2-5,10,12,20H,6-9,11H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...				Bioorg Med Chem Lett 18: 3359-63 (2008) Article DOI: 10.1016/j.bmcl.2008.04.034 BindingDB Entry DOI: 10.7270/Q2M043QC
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24846 (1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-dihydrospi...) Show SMILES C1N(c2ccccc2C11CCNCC1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H19N5/c1-2-4-15-14(3-1)18(6-9-19-10-7-18)11-23(15)17-13-5-8-20-16(13)21-12-22-17/h1-5,8,12,19H,6-7,9-11H2,(H,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...				Bioorg Med Chem Lett 18: 3359-63 (2008) Article DOI: 10.1016/j.bmcl.2008.04.034 BindingDB Entry DOI: 10.7270/Q2M043QC
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24852 (1-{5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-d...) Show SMILES Clc1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc34)c12 Show InChI InChI=1S/C18H18ClN5/c19-13-9-21-16-15(13)17(23-11-22-16)24-10-18(5-7-20-8-6-18)12-3-1-2-4-14(12)24/h1-4,9,11,20H,5-8,10H2,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...				Bioorg Med Chem Lett 18: 3359-63 (2008) Article DOI: 10.1016/j.bmcl.2008.04.034 BindingDB Entry DOI: 10.7270/Q2M043QC
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24849 (1'-methyl-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-...) Show SMILES CN1CCC2(CN(c3ccccc23)c2ncnc3[nH]ccc23)CC1 Show InChI InChI=1S/C19H21N5/c1-23-10-7-19(8-11-23)12-24(16-5-3-2-4-15(16)19)18-14-6-9-20-17(14)21-13-22-18/h2-6,9,13H,7-8,10-12H2,1H3,(H,20,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12.7	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...				Bioorg Med Chem Lett 18: 3359-63 (2008) Article DOI: 10.1016/j.bmcl.2008.04.034 BindingDB Entry DOI: 10.7270/Q2M043QC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331825 (6-(2,6-dichlorophenylamino)-9-fluorobenzo[c][1,6]n...) Show SMILES Fc1ccc2c(Nc3c(Cl)cccc3Cl)nc3cc[nH]c(=O)c3c2c1 Show InChI InChI=1S/C18H10Cl2FN3O/c19-12-2-1-3-13(20)16(12)24-17-10-5-4-9(21)8-11(10)15-14(23-17)6-7-22-18(15)25/h1-8H,(H,22,25)(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331817 (6-(3,3-dimethylbutan-2-ylamino)-9-fluorobenzo[c][1...) Show SMILES CC(Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12)C(C)(C)C Show InChI InChI=1S/C18H20FN3O/c1-10(18(2,3)4)21-16-12-6-5-11(19)9-13(12)15-14(22-16)7-8-20-17(15)23/h5-10H,1-4H3,(H,20,23)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331829 ((S)-9-fluoro-6-(3-methylbutan-2-ylamino)benzo[c][1...) Show SMILES CC(C)[C@H](C)Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12 |r| Show InChI InChI=1S/C17H18FN3O/c1-9(2)10(3)20-16-12-5-4-11(18)8-13(12)15-14(21-16)6-7-19-17(15)22/h4-10H,1-3H3,(H,19,22)(H,20,21)/t10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331809 ((R)-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)pyr...) Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F |r| Show InChI InChI=1S/C16H15F3N4O/c1-8(2)13(16(17,18)19)23-14-9-3-5-20-7-10(9)12-11(22-14)4-6-21-15(12)24/h3-8,13H,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 expressed in human Du-145 cells				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24845 (5-chloro-4-{3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5...) Show SMILES Clc1c[nH]c2ncnc(N3CCc4nc[nH]c4C3)c12 Show InChI InChI=1S/C12H11ClN6/c13-7-3-14-11-10(7)12(18-6-17-11)19-2-1-8-9(4-19)16-5-15-8/h3,5-6H,1-2,4H2,(H,15,16)(H,14,17,18)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...				Bioorg Med Chem Lett 18: 3359-63 (2008) Article DOI: 10.1016/j.bmcl.2008.04.034 BindingDB Entry DOI: 10.7270/Q2M043QC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331808 ((R)-9-fluoro-6-(1,1,1-trifluoro-3-methylbutan-2-yl...) Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12)C(F)(F)F |r| Show InChI InChI=1S/C17H15F4N3O/c1-8(2)14(17(19,20)21)24-15-10-4-3-9(18)7-11(10)13-12(23-15)5-6-22-16(13)25/h3-8,14H,1-2H3,(H,22,25)(H,23,24)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 expressed in human Du-145 cells				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331821 (6-(2,6-dichlorobenzylamino)-9-fluorobenzo[c][1,6]n...) Show SMILES Fc1ccc2c(NCc3c(Cl)cccc3Cl)nc3cc[nH]c(=O)c3c2c1 Show InChI InChI=1S/C19H12Cl2FN3O/c20-14-2-1-3-15(21)13(14)9-24-18-11-5-4-10(22)8-12(11)17-16(25-18)6-7-23-19(17)26/h1-8H,9H2,(H,23,26)(H,24,25)	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	53	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331831 ((S)-9-fluoro-6-(1,1,1-trifluoro-3-methylbutan-2-yl...) Show SMILES CC(C)[C@H](Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12)C(F)(F)F |r| Show InChI InChI=1S/C17H15F4N3O/c1-8(2)14(17(19,20)21)24-15-10-4-3-9(18)7-11(10)13-12(23-15)5-6-22-16(13)25/h3-8,14H,1-2H3,(H,22,25)(H,23,24)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331827 (6-(cyclobutylamino)-9-fluorobenzo[c][1,6]naphthyri...) Show SMILES Fc1ccc2c(NC3CCC3)nc3cc[nH]c(=O)c3c2c1 Show InChI InChI=1S/C16H14FN3O/c17-9-4-5-11-12(8-9)14-13(6-7-18-16(14)21)20-15(11)19-10-2-1-3-10/h4-8,10H,1-3H2,(H,18,21)(H,19,20)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331828 (9-fluoro-6-(isopropylamino)benzo[c][1,6]naphthyrid...) Show SMILES CC(C)Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12 Show InChI InChI=1S/C15H14FN3O/c1-8(2)18-14-10-4-3-9(16)7-11(10)13-12(19-14)5-6-17-15(13)20/h3-8H,1-2H3,(H,17,20)(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	139	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24841 (N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-py...) Show SMILES Cc1nnc([nH]1)-c1ccccc1Nc1ncnc2[nH]ccc12 Show InChI InChI=1S/C15H13N7/c1-9-19-15(22-21-9)10-4-2-3-5-12(10)20-14-11-6-7-16-13(11)17-8-18-14/h2-8H,1H3,(H,19,21,22)(H2,16,17,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	151	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...				Bioorg Med Chem Lett 18: 3359-63 (2008) Article DOI: 10.1016/j.bmcl.2008.04.034 BindingDB Entry DOI: 10.7270/Q2M043QC
					More data for this Ligand-Target Pair				3D Structure (crystal)
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24842 (N-[4-chloro-2-(5-methyl-4H-1,2,4-triazol-3-yl)phen...) Show SMILES Cc1nnc([nH]1)-c1cc(Cl)ccc1Nc1ncnc2[nH]ccc12 Show InChI InChI=1S/C15H12ClN7/c1-8-20-15(23-22-8)11-6-9(16)2-3-12(11)21-14-10-4-5-17-13(10)18-7-19-14/h2-7H,1H3,(H,20,22,23)(H2,17,18,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	171	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...				Bioorg Med Chem Lett 18: 3359-63 (2008) Article DOI: 10.1016/j.bmcl.2008.04.034 BindingDB Entry DOI: 10.7270/Q2M043QC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331826 (9-fluoro-6-((7R)-1,6,6-trimethylbicyclo[3.1.1]hept...) Show SMILES CC1(C)C2CCCC1(C)[C@@H]2Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12 |r| Show InChI InChI=1S/C22H24FN3O/c1-21(2)15-5-4-9-22(21,3)18(15)26-19-13-7-6-12(23)11-14(13)17-16(25-19)8-10-24-20(17)27/h6-8,10-11,15,18H,4-5,9H2,1-3H3,(H,24,27)(H,25,26)/t15?,18-,22?/m1/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	200	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24837 (N-[2-(4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3...) Show SMILES N(c1ccccc1-c1nnc[nH]1)c1ncnc2[nH]ccc12 Show InChI InChI=1S/C14H11N7/c1-2-4-11(9(3-1)14-18-8-19-21-14)20-13-10-5-6-15-12(10)16-7-17-13/h1-8H,(H,18,19,21)(H2,15,16,17,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...				Bioorg Med Chem Lett 18: 3359-63 (2008) Article DOI: 10.1016/j.bmcl.2008.04.034 BindingDB Entry DOI: 10.7270/Q2M043QC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331832 (9-fluoro-6-(3-hydroxy-2,2-dimethylpropylamino)benz...) Show SMILES CC(C)(CO)CNc1nc2cc[nH]c(=O)c2c2cc(F)ccc12 Show InChI InChI=1S/C17H18FN3O2/c1-17(2,9-22)8-20-15-11-4-3-10(18)7-12(11)14-13(21-15)5-6-19-16(14)23/h3-7,22H,8-9H2,1-2H3,(H,19,23)(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	274	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24844 (5-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-3H,4H,5H,6H,7H...) Show SMILES C1Cc2nc[nH]c2CN1c1ncnc2[nH]ccc12 Show InChI InChI=1S/C12H12N6/c1-3-13-11-8(1)12(17-7-16-11)18-4-2-9-10(5-18)15-6-14-9/h1,3,6-7H,2,4-5H2,(H,14,15)(H,13,16,17)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	294	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...				Bioorg Med Chem Lett 18: 3359-63 (2008) Article DOI: 10.1016/j.bmcl.2008.04.034 BindingDB Entry DOI: 10.7270/Q2M043QC
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24840 (5-chloro-N-[2-(4H-1,2,4-triazol-3-yl)phenyl]-7H-py...) Show SMILES Clc1c[nH]c2ncnc(Nc3ccccc3-c3nnc[nH]3)c12 Show InChI InChI=1S/C14H10ClN7/c15-9-5-16-13-11(9)14(18-6-17-13)21-10-4-2-1-3-8(10)12-19-7-20-22-12/h1-7H,(H,19,20,22)(H2,16,17,18,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	318	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...				Bioorg Med Chem Lett 18: 3359-63 (2008) Article DOI: 10.1016/j.bmcl.2008.04.034 BindingDB Entry DOI: 10.7270/Q2M043QC
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24839 (5-methyl-N-[2-(4H-1,2,4-triazol-3-yl)phenyl]-7H-py...) Show SMILES Cc1c[nH]c2ncnc(Nc3ccccc3-c3nnc[nH]3)c12 Show InChI InChI=1S/C15H13N7/c1-9-6-16-14-12(9)15(18-7-17-14)21-11-5-3-2-4-10(11)13-19-8-20-22-13/h2-8H,1H3,(H,19,20,22)(H2,16,17,18,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	425	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...				Bioorg Med Chem Lett 18: 3359-63 (2008) Article DOI: 10.1016/j.bmcl.2008.04.034 BindingDB Entry DOI: 10.7270/Q2M043QC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331819 (6-[(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-ylm...) Show SMILES Fc1ccc2c(NCC3CCS(=O)(=O)C3)nc3cc[nH]c(=O)c3c2c1 Show InChI InChI=1S/C17H16FN3O3S/c18-11-1-2-12-13(7-11)15-14(3-5-19-17(15)22)21-16(12)20-8-10-4-6-25(23,24)9-10/h1-3,5,7,10H,4,6,8-9H2,(H,19,22)(H,20,21)	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	512	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331822 (6-(cyclopropyl(1-methylpiperidin-4-yl)amino)-9-flu...) Show SMILES CN1CCC(CC1)N(C1CC1)c1nc2cc[nH]c(=O)c2c2cc(F)ccc12 Show InChI InChI=1S/C21H23FN4O/c1-25-10-7-15(8-11-25)26(14-3-4-14)20-16-5-2-13(22)12-17(16)19-18(24-20)6-9-23-21(19)27/h2,5-6,9,12,14-15H,3-4,7-8,10-11H2,1H3,(H,23,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331814 (2-(3,3-dimethylbutan-2-ylamino)-3-(pyridin-2-yl)-1...) Show SMILES CC(Nc1nc2cc[nH]c(=O)c2cc1-c1ccccn1)C(C)(C)C Show InChI InChI=1S/C19H22N4O/c1-12(19(2,3)4)22-17-13(15-7-5-6-9-20-15)11-14-16(23-17)8-10-21-18(14)24/h5-12H,1-4H3,(H,21,24)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331830 (6-(3,3-difluorocyclobutylamino)-9-fluorobenzo[c][1...) Show SMILES Fc1ccc2c(NC3CC(F)(F)C3)nc3cc[nH]c(=O)c3c2c1 Show InChI InChI=1S/C16H12F3N3O/c17-8-1-2-10-11(5-8)13-12(3-4-20-15(13)23)22-14(10)21-9-6-16(18,19)7-9/h1-5,9H,6-7H2,(H,20,23)(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331820 (9-fluoro-6-(pyridin-2-ylmethylamino)benzo[c][1,6]n...) Show SMILES Fc1ccc2c(NCc3ccccn3)nc3cc[nH]c(=O)c3c2c1 Show InChI InChI=1S/C18H13FN4O/c19-11-4-5-13-14(9-11)16-15(6-8-21-18(16)24)23-17(13)22-10-12-3-1-2-7-20-12/h1-9H,10H2,(H,21,24)(H,22,23)	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	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24854 (1-{5-benzyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,2-d...) Show SMILES C(c1c[nH]c2ncnc(N3CC4(CCNCC4)c4ccccc34)c12)c1ccccc1 Show InChI InChI=1S/C25H25N5/c1-2-6-18(7-3-1)14-19-15-27-23-22(19)24(29-17-28-23)30-16-25(10-12-26-13-11-25)20-8-4-5-9-21(20)30/h1-9,15,17,26H,10-14,16H2,(H,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...				Bioorg Med Chem Lett 18: 3359-63 (2008) Article DOI: 10.1016/j.bmcl.2008.04.034 BindingDB Entry DOI: 10.7270/Q2M043QC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50331809 ((R)-6-(1,1,1-trifluoro-3-methylbutan-2-ylamino)pyr...) Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cnccc12)C(F)(F)F |r| Show InChI InChI=1S/C16H15F3N4O/c1-8(2)13(16(17,18)19)23-14-9-3-5-20-7-10(9)12-11(22-14)4-6-21-15(12)24/h3-8,13H,1-2H3,(H,21,24)(H,22,23)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK cells by radioligand displacement assay				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331810 (3-phenyl-2-(pyridin-4-ylmethylamino)-1,6-naphthyri...) Show SMILES O=c1[nH]ccc2nc(NCc3ccncc3)c(cc12)-c1ccccc1 Show InChI InChI=1S/C20H16N4O/c25-20-17-12-16(15-4-2-1-3-5-15)19(24-18(17)8-11-22-20)23-13-14-6-9-21-10-7-14/h1-12H,13H2,(H,22,25)(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24850 (1-(5-fluoro-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,...) Show SMILES CC(=O)N1CCC2(CN(c3ccc(F)cc23)c2ncnc3[nH]ccc23)CC1 Show InChI InChI=1S/C20H20FN5O/c1-13(27)25-8-5-20(6-9-25)11-26(17-3-2-14(21)10-16(17)20)19-15-4-7-22-18(15)23-12-24-19/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.79E+3	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...				Bioorg Med Chem Lett 18: 3359-63 (2008) Article DOI: 10.1016/j.bmcl.2008.04.034 BindingDB Entry DOI: 10.7270/Q2M043QC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331818 (6-(3-amino-2,2-dimethylpropylamino)-9-fluorobenzo[...) Show SMILES CC(C)(CN)CNc1nc2cc[nH]c(=O)c2c2cc(F)ccc12 Show InChI InChI=1S/C17H19FN4O/c1-17(2,8-19)9-21-15-11-4-3-10(18)7-12(11)14-13(22-15)5-6-20-16(14)23/h3-7H,8-9,19H2,1-2H3,(H,20,23)(H,21,22)	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	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24851 (5-fluoro-1'-methanesulfonyl-1-{7H-pyrrolo[2,3-d]py...) Show SMILES CS(=O)(=O)N1CCC2(CN(c3ccc(F)cc23)c2ncnc3[nH]ccc23)CC1 Show InChI InChI=1S/C19H20FN5O2S/c1-28(26,27)24-8-5-19(6-9-24)11-25(16-3-2-13(20)10-15(16)19)18-14-4-7-21-17(14)22-12-23-18/h2-4,7,10,12H,5-6,8-9,11H2,1H3,(H,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.19E+3	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...				Bioorg Med Chem Lett 18: 3359-63 (2008) Article DOI: 10.1016/j.bmcl.2008.04.034 BindingDB Entry DOI: 10.7270/Q2M043QC
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50331808 ((R)-9-fluoro-6-(1,1,1-trifluoro-3-methylbutan-2-yl...) Show SMILES CC(C)[C@@H](Nc1nc2cc[nH]c(=O)c2c2cc(F)ccc12)C(F)(F)F |r| Show InChI InChI=1S/C17H15F4N3O/c1-8(2)14(17(19,20)21)24-15-10-4-3-9(18)7-11(10)13-12(23-15)5-6-22-16(13)25/h3-8,14H,1-2H3,(H,22,25)(H,23,24)/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Binding affinity to human ERG expressed in HEK cells by radioligand displacement assay				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331813 (2-(1-(2,4-dichloro-5-fluorophenyl)ethylamino)-3-(4...) Show SMILES CC(Nc1nc2cc[nH]c(=O)c2cc1-c1ccc(F)cc1)c1cc(F)c(Cl)cc1Cl Show InChI InChI=1S/C22H15Cl2F2N3O/c1-11(14-9-19(26)18(24)10-17(14)23)28-21-15(12-2-4-13(25)5-3-12)8-16-20(29-21)6-7-27-22(16)30/h2-11H,1H3,(H,27,30)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331823 (9-fluoro-6-(3-fluorophenylamino)benzo[c][1,6]napht...) Show SMILES Fc1cccc(Nc2nc3cc[nH]c(=O)c3c3cc(F)ccc23)c1 Show InChI InChI=1S/C18H11F2N3O/c19-10-2-1-3-12(8-10)22-17-13-5-4-11(20)9-14(13)16-15(23-17)6-7-21-18(16)24/h1-9H,(H,21,24)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331816 (CHEMBL1290308 | N-(2-(dimethylamino)ethyl)-2-(3,3-...) Show SMILES CC(Nc1nc2cc[nH]c(=O)c2cc1C(=O)NCCN(C)C)C(C)(C)C Show InChI InChI=1S/C19H29N5O2/c1-12(19(2,3)4)22-16-14(18(26)21-9-10-24(5)6)11-13-15(23-16)7-8-20-17(13)25/h7-8,11-12H,9-10H2,1-6H3,(H,20,25)(H,21,26)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24843 (N-[5-chloro-2-(5-methyl-4H-1,2,4-triazol-3-yl)phen...) Show SMILES Cc1nnc([nH]1)-c1ccc(Cl)cc1Nc1ncnc2[nH]ccc12 Show InChI InChI=1S/C15H12ClN7/c1-8-20-15(23-22-8)10-3-2-9(16)6-12(10)21-14-11-4-5-17-13(11)18-7-19-14/h2-7H,1H3,(H,20,22,23)(H2,17,18,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...				Bioorg Med Chem Lett 18: 3359-63 (2008) Article DOI: 10.1016/j.bmcl.2008.04.034 BindingDB Entry DOI: 10.7270/Q2M043QC
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM24838 (7-methyl-N-[2-(4H-1,2,4-triazol-3-yl)phenyl]-7H-py...) Show SMILES Cn1ccc2c(Nc3ccccc3-c3nnc[nH]3)ncnc12 Show InChI InChI=1S/C15H13N7/c1-22-7-6-11-13(16-8-18-15(11)22)20-12-5-3-2-4-10(12)14-17-9-19-21-14/h2-9H,1H3,(H,16,18,20)(H,17,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	7.5	22
Pfizer					Assay Description A fluorescence polarization IMAP type assay is used. After a 90 min incubation of reaction mixtures containing enzyme, substrate, and inhibitor, IMAP...				Bioorg Med Chem Lett 18: 3359-63 (2008) Article DOI: 10.1016/j.bmcl.2008.04.034 BindingDB Entry DOI: 10.7270/Q2M043QC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331815 (2-(3,3-dimethylbutan-2-ylamino)-3-(3-phenyl-1,2,4-...) Show SMILES CC(Nc1nc2cc[nH]c(=O)c2cc1-c1nc(no1)-c1ccccc1)C(C)(C)C Show InChI InChI=1S/C22H23N5O2/c1-13(22(2,3)4)24-19-16(12-15-17(25-19)10-11-23-20(15)28)21-26-18(27-29-21)14-8-6-5-7-9-14/h5-13H,1-4H3,(H,23,28)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331812 (2-(3,3-difluoropyrrolidin-1-yl)-3-(4-fluorophenyl)...) Show SMILES Fc1ccc(cc1)-c1cc2c(cc[nH]c2=O)nc1N1CCC(F)(F)C1 Show InChI InChI=1S/C18H14F3N3O/c19-12-3-1-11(2-4-12)13-9-14-15(5-7-22-17(14)25)23-16(13)24-8-6-18(20,21)10-24/h1-5,7,9H,6,8,10H2,(H,22,25)	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	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50331811 (3-(4-fluorophenyl)-2-(neopentylamino)-1,6-naphthyr...) Show SMILES CC(C)(C)CNc1nc2cc[nH]c(=O)c2cc1-c1ccc(F)cc1 Show InChI InChI=1S/C19H20FN3O/c1-19(2,3)11-22-17-14(12-4-6-13(20)7-5-12)10-15-16(23-17)8-9-21-18(15)24/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23)	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	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck& Co. Curated by ChEMBL					Assay Description Inhibition of JAK2 in cell-free system				Bioorg Med Chem Lett 20: 7421-5 (2010) Article DOI: 10.1016/j.bmcl.2010.10.031 BindingDB Entry DOI: 10.7270/Q2SQ90MG
					More data for this Ligand-Target Pair