Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'deng' and Initial = 'n'   

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 JAK1 (Homo sapiens (Human))	BDBM50527916 (CHEMBL4446962) Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NCc3ccc(C)nc3C)cccc12 Show InChI InChI=1S/C26H28N8O/c1-15-11-29-26(31-22-14-34(4)33-25(22)35-5)32-23(15)20-13-28-24-19(20)7-6-8-21(24)27-12-18-10-9-16(2)30-17(18)3/h6-11,13-14,27-28H,12H2,1-5H3,(H,29,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM264216 ((2R)-N-(3-{5-chloro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES COc1nn(C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM264217 ((2R)-N-(3-{5-bromo- 2-[(3-methoxy-1- methyl-1H-pyr...) Show SMILES COc1nn(C)cc1Nc1ncc(Br)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM264214 ((2R)-N-(3-{2-[(3- Methoxy-1-methyl- 1H-pyrazol-4-y...) Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527915 (CHEMBL4441479) Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)c3cccnc3C)cccc12 Show InChI InChI=1S/C25H24N8O2/c1-14-11-28-25(30-20-13-33(3)32-24(20)35-4)31-21(14)18-12-27-22-17(18)7-5-9-19(22)29-23(34)16-8-6-10-26-15(16)2/h5-13,27H,1-4H3,(H,29,34)(H,28,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM264204 ((2R)-N-(3-{5-Fluoro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50355501 (INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...) Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50355501 (INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...) Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-labeled GEEPLYWSFPAKKK-NH2 pep...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527911 (CHEMBL4544007) Show SMILES [H][C@@]1(CCN(C1)c1cccc(Cl)c1C#N)[C@@H](CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C23H19ClN8/c24-19-2-1-3-21(18(19)10-26)31-9-6-15(12-31)20(4-7-25)32-13-16(11-30-32)22-17-5-8-27-23(17)29-14-28-22/h1-3,5,8,11,13-15,20H,4,6,9,12H2,(H,27,28,29)/t15-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527919 (CHEMBL4466590) Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccnc2F)ncc1C |r| Show InChI InChI=1S/C26H29FN8O/c1-16-14-30-26(32-21-8-5-9-28-24(21)27)33-22(16)19-15-29-23-18(19)6-4-7-20(23)31-25(36)17(2)35-12-10-34(3)11-13-35/h4-9,14-15,17,29H,10-13H2,1-3H3,(H,31,36)(H,30,32,33)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527923 (CHEMBL4536860) Show SMILES Cc1ccc(C(=O)Nc2cccc3c(c[nH]c23)-c2nc(Nc3cnn(C)c3)ncc2C)c(C)n1 Show InChI InChI=1S/C25H24N8O/c1-14-10-27-25(30-17-11-28-33(4)13-17)32-22(14)20-12-26-23-19(20)6-5-7-21(23)31-24(34)18-9-8-15(2)29-16(18)3/h5-13,26H,1-4H3,(H,31,34)(H,27,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527909 (CHEMBL4452410) Show SMILES Cc1ccc(C(=O)Nc2cccc3c(c[nH]c23)-c2nc(NC(=O)C3CC3)ncc2C)c(C)n1 Show InChI InChI=1S/C25H24N6O2/c1-13-11-27-25(31-23(32)16-8-9-16)30-21(13)19-12-26-22-18(19)5-4-6-20(22)29-24(33)17-10-7-14(2)28-15(17)3/h4-7,10-12,16,26H,8-9H2,1-3H3,(H,29,33)(H,27,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM264216 ((2R)-N-(3-{5-chloro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES COc1nn(C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of JAK1 in human NCI-H1975 cells assessed as decrease in STAT3 phosphorylation measured after 1 hr by ELISA				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM264212 ((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...) Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527914 (CHEMBL4444782) Show SMILES Cc1cnc(Nc2cnn(C)c2)nc1-c1c[nH]c2ccccc12 Show InChI InChI=1S/C17H16N6/c1-11-7-19-17(21-12-8-20-23(2)10-12)22-16(11)14-9-18-15-6-4-3-5-13(14)15/h3-10,18H,1-2H3,(H,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527919 (CHEMBL4466590) Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccnc2F)ncc1C |r| Show InChI InChI=1S/C26H29FN8O/c1-16-14-30-26(32-21-8-5-9-28-24(21)27)33-22(16)19-15-29-23-18(19)6-4-7-20(23)31-25(36)17(2)35-12-10-34(3)11-13-35/h4-9,14-15,17,29H,10-13H2,1-3H3,(H,31,36)(H,30,32,33)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of JAK1 in human NCI-H1975 cells assessed as decrease in STAT3 phosphorylation measured after 1 hr by ELISA				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM264217 ((2R)-N-(3-{5-bromo- 2-[(3-methoxy-1- methyl-1H-pyr...) Show SMILES COc1nn(C)cc1Nc1ncc(Br)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of JAK1 in human NCI-H1975 cells assessed as decrease in STAT3 phosphorylation measured after 1 hr by ELISA				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM264204 ((2R)-N-(3-{5-Fluoro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of JAK1 in human NCI-H1975 cells assessed as decrease in STAT3 phosphorylation measured after 1 hr by ELISA				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527913 (CHEMBL4449567) Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccnc2C)ncc1C |r| Show InChI InChI=1S/C27H32N8O/c1-17-15-30-27(32-22-9-6-10-28-18(22)2)33-24(17)21-16-29-25-20(21)7-5-8-23(25)31-26(36)19(3)35-13-11-34(4)12-14-35/h5-10,15-16,19,29H,11-14H2,1-4H3,(H,31,36)(H,30,32,33)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM264214 ((2R)-N-(3-{2-[(3- Methoxy-1-methyl- 1H-pyrazol-4-y...) Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of JAK1 in human NCI-H1975 cells assessed as decrease in STAT3 phosphorylation measured after 1 hr by ELISA				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM264212 ((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...) Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of JAK1 in human NCI-H1975 cells assessed as decrease in STAT3 phosphorylation measured after 1 hr by ELISA				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527917 (CHEMBL4588587) Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(NC(=O)C2CC2)ncc1C |r| Show InChI InChI=1S/C25H31N7O2/c1-15-13-27-25(30-24(34)17-7-8-17)29-21(15)19-14-26-22-18(19)5-4-6-20(22)28-23(33)16(2)32-11-9-31(3)10-12-32/h4-6,13-14,16-17,26H,7-12H2,1-3H3,(H,28,33)(H,27,29,30,34)/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527913 (CHEMBL4449567) Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccnc2C)ncc1C |r| Show InChI InChI=1S/C27H32N8O/c1-17-15-30-27(32-22-9-6-10-28-18(22)2)33-24(17)21-16-29-25-20(21)7-5-8-23(25)31-26(36)19(3)35-13-11-34(4)12-14-35/h5-10,15-16,19,29H,11-14H2,1-4H3,(H,31,36)(H,30,32,33)/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of JAK1 in human NCI-H1975 cells assessed as decrease in STAT3 phosphorylation measured after 1 hr by ELISA				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50527923 (CHEMBL4536860) Show SMILES Cc1ccc(C(=O)Nc2cccc3c(c[nH]c23)-c2nc(Nc3cnn(C)c3)ncc2C)c(C)n1 Show InChI InChI=1S/C25H24N8O/c1-14-10-27-25(30-17-11-28-33(4)13-17)32-22(14)20-12-26-23-19(20)6-5-7-21(23)31-24(34)18-9-8-15(2)29-16(18)3/h5-13,26H,1-4H3,(H,31,34)(H,27,30,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-labeled GEEPLYWSFPAKKK-NH2 pep...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527920 (CHEMBL4466247) Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(cccc12)C(=O)Nc1ccc(C)nc1C Show InChI InChI=1S/C26H26N8O2/c1-14-11-28-26(31-21-13-34(4)33-25(21)36-5)32-22(14)19-12-27-23-17(19)7-6-8-18(23)24(35)30-20-10-9-15(2)29-16(20)3/h6-13,27H,1-5H3,(H,30,35)(H,28,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50527914 (CHEMBL4444782) Show SMILES Cc1cnc(Nc2cnn(C)c2)nc1-c1c[nH]c2ccccc12 Show InChI InChI=1S/C17H16N6/c1-11-7-19-17(21-12-8-20-23(2)10-12)22-16(11)14-9-18-15-6-4-3-5-13(14)15/h3-10,18H,1-2H3,(H,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-labeled GEEPLYWSFPAKKK-NH2 pep...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527912 (CHEMBL4553035) Show SMILES CN1CCN(CC(=O)Nc2cccc3c(c[nH]c23)-c2nc(NC(=O)C3CC3)ncc2C)CC1 Show InChI InChI=1S/C24H29N7O2/c1-15-12-26-24(29-23(33)16-6-7-16)28-21(15)18-13-25-22-17(18)4-3-5-19(22)27-20(32)14-31-10-8-30(2)9-11-31/h3-5,12-13,16,25H,6-11,14H2,1-2H3,(H,27,32)(H,26,28,29,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50527916 (CHEMBL4446962) Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NCc3ccc(C)nc3C)cccc12 Show InChI InChI=1S/C26H28N8O/c1-15-11-29-26(31-22-14-34(4)33-25(22)35-5)32-23(15)20-13-28-24-19(20)7-6-8-21(24)27-12-18-10-9-16(2)30-17(18)3/h6-11,13-14,27-28H,12H2,1-5H3,(H,29,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-labeled GEEPLYWSFPAKKK-NH2 pep...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527918 (CHEMBL4551327) Show SMILES C[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(NC(=O)C2CC2)ncc1C |r| Show InChI InChI=1S/C25H31N7O2/c1-15-13-27-25(30-24(34)17-7-8-17)29-21(15)19-14-26-22-18(19)5-4-6-20(22)28-23(33)16(2)32-11-9-31(3)10-12-32/h4-6,13-14,16-17,26H,7-12H2,1-3H3,(H,28,33)(H,27,29,30,34)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM264217 ((2R)-N-(3-{5-bromo- 2-[(3-methoxy-1- methyl-1H-pyr...) Show SMILES COc1nn(C)cc1Nc1ncc(Br)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-labeled GEEPLYWSFPAKKK-NH2 pep...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527921 (CHEMBL4588128) Show SMILES CN1CCN(CC1)C(C)(C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(NC(=O)C2CC2)ncc1C Show InChI InChI=1S/C26H33N7O2/c1-16-14-28-25(31-23(34)17-8-9-17)30-21(16)19-15-27-22-18(19)6-5-7-20(22)29-24(35)26(2,3)33-12-10-32(4)11-13-33/h5-7,14-15,17,27H,8-13H2,1-4H3,(H,29,35)(H,28,30,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM264216 ((2R)-N-(3-{5-chloro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES COc1nn(C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-labeled GEEPLYWSFPAKKK-NH2 pep...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527910 (CHEMBL4517840) Show SMILES CN(C)CC(=O)Nc1cccc2c(c[nH]c12)-c1nc(NC(=O)C2CC2)ncc1C Show InChI InChI=1S/C21H24N6O2/c1-12-9-23-21(26-20(29)13-7-8-13)25-18(12)15-10-22-19-14(15)5-4-6-16(19)24-17(28)11-27(2)3/h4-6,9-10,13,22H,7-8,11H2,1-3H3,(H,24,28)(H,23,25,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50527915 (CHEMBL4441479) Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)c3cccnc3C)cccc12 Show InChI InChI=1S/C25H24N8O2/c1-14-11-28-25(30-20-13-33(3)32-24(20)35-4)31-21(14)18-12-27-22-17(18)7-5-9-19(22)29-23(34)16-8-6-10-26-15(16)2/h5-13,27H,1-4H3,(H,29,34)(H,28,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-labeled GEEPLYWSFPAKKK-NH2 pep...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50527911 (CHEMBL4544007) Show SMILES [H][C@@]1(CCN(C1)c1cccc(Cl)c1C#N)[C@@H](CC#N)n1cc(cn1)-c1ncnc2[nH]ccc12 |r| Show InChI InChI=1S/C23H19ClN8/c24-19-2-1-3-21(18(19)10-26)31-9-6-15(12-31)20(4-7-25)32-13-16(11-30-32)22-17-5-8-27-23(17)29-14-28-22/h1-3,5,8,11,13-15,20H,4,6,9,12H2,(H,27,28,29)/t15-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-labeled GEEPLYWSFPAKKK-NH2 pep...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50527922 (CHEMBL4476801) Show SMILES Cc1cnc(NC(=O)C2CC2)nc1-c1c[nH]c2c(NC(=O)CN3CCOCC3)cccc12 Show InChI InChI=1S/C23H26N6O3/c1-14-11-25-23(28-22(31)15-5-6-15)27-20(14)17-12-24-21-16(17)3-2-4-18(21)26-19(30)13-29-7-9-32-10-8-29/h2-4,11-12,15,24H,5-10,13H2,1H3,(H,26,30)(H,25,27,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK1 (866 to 1154 residues) expressed in insect cells using FITC-labeled C6-KKHTDDGYMPMSPGVA-NH...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50527909 (CHEMBL4452410) Show SMILES Cc1ccc(C(=O)Nc2cccc3c(c[nH]c23)-c2nc(NC(=O)C3CC3)ncc2C)c(C)n1 Show InChI InChI=1S/C25H24N6O2/c1-13-11-27-25(31-23(32)16-8-9-16)30-21(13)19-12-26-22-18(19)5-4-6-20(22)29-24(33)17-10-7-14(2)28-15(17)3/h4-7,10-12,16,26H,8-9H2,1-3H3,(H,29,33)(H,27,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-labeled GEEPLYWSFPAKKK-NH2 pep...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM264212 ((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...) Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of TYK2 (unknown origin)				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM264214 ((2R)-N-(3-{2-[(3- Methoxy-1-methyl- 1H-pyrazol-4-y...) Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-labeled GEEPLYWSFPAKKK-NH2 pep...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM264204 ((2R)-N-(3-{5-Fluoro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES COc1nn(C)cc1Nc1ncc(F)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-labeled GEEPLYWSFPAKKK-NH2 pep...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50527919 (CHEMBL4466590) Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccnc2F)ncc1C |r| Show InChI InChI=1S/C26H29FN8O/c1-16-14-30-26(32-21-8-5-9-28-24(21)27)33-22(16)19-15-29-23-18(19)6-4-7-20(23)31-25(36)17(2)35-12-10-34(3)11-13-35/h4-9,14-15,17,29H,10-13H2,1-3H3,(H,31,36)(H,30,32,33)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM264212 ((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...) Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-labeled GEEPLYWSFPAKKK-NH2 pep...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM264217 ((2R)-N-(3-{5-bromo- 2-[(3-methoxy-1- methyl-1H-pyr...) Show SMILES COc1nn(C)cc1Nc1ncc(Br)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM264216 ((2R)-N-(3-{5-chloro- 2-[(3-methoxy-1- methyl-1H-py...) Show SMILES COc1nn(C)cc1Nc1ncc(Cl)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM264212 ((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...) Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of JAK3 (unknown origin)				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50527920 (CHEMBL4466247) Show SMILES COc1nn(C)cc1Nc1ncc(C)c(n1)-c1c[nH]c2c(cccc12)C(=O)Nc1ccc(C)nc1C Show InChI InChI=1S/C26H26N8O2/c1-14-11-28-26(31-21-13-34(4)33-25(21)36-5)32-22(14)19-12-27-23-17(19)7-6-8-18(23)24(35)30-20-10-9-15(2)29-16(20)3/h6-13,27H,1-5H3,(H,30,35)(H,28,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-labeled GEEPLYWSFPAKKK-NH2 pep...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50527918 (CHEMBL4551327) Show SMILES C[C@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(NC(=O)C2CC2)ncc1C |r| Show InChI InChI=1S/C25H31N7O2/c1-15-13-27-25(30-24(34)17-7-8-17)29-21(15)19-14-26-22-18(19)5-4-6-20(22)28-23(33)16(2)32-11-9-31(3)10-12-32/h4-6,13-14,16-17,26H,7-12H2,1-3H3,(H,28,33)(H,27,29,30,34)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-labeled GEEPLYWSFPAKKK-NH2 pep...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50527919 (CHEMBL4466590) Show SMILES C[C@@H](N1CCN(C)CC1)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(Nc2cccnc2F)ncc1C |r| Show InChI InChI=1S/C26H29FN8O/c1-16-14-30-26(32-21-8-5-9-28-24(21)27)33-22(16)19-15-29-23-18(19)6-4-7-20(23)31-25(36)17(2)35-12-10-34(3)11-13-35/h4-9,14-15,17,29H,10-13H2,1-3H3,(H,31,36)(H,30,32,33)/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-labeled GEEPLYWSFPAKKK-NH2 pep...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Cytochrome P450 4B1 (Homo sapiens)	BDBM264212 ((2R)-N-(3-{2-[(3- methoxy-1-methyl- 1H-pyrazol-4-y...) Show SMILES COc1nn(C)cc1Nc1nccc(n1)-c1c[nH]c2c(NC(=O)[C@@H](C)N3CCN(C)CC3)cccc12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human Cytochrome P450				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50527921 (CHEMBL4588128) Show SMILES CN1CCN(CC1)C(C)(C)C(=O)Nc1cccc2c(c[nH]c12)-c1nc(NC(=O)C2CC2)ncc1C Show InChI InChI=1S/C26H33N7O2/c1-16-14-28-25(31-23(34)17-8-9-17)30-21(16)19-15-27-22-18(19)6-5-7-20(22)29-24(35)26(2,3)33-12-10-32(4)11-13-33/h5-7,14-15,17,27H,8-13H2,1-4H3,(H,29,35)(H,28,30,31,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged JAK2 (831 to 1132 residues) expressed in insect cells using 5FAM-labeled GEEPLYWSFPAKKK-NH2 pep...				J Med Chem 63: 4517-4527 (2020) Article DOI: 10.1021/acs.jmedchem.9b01392 BindingDB Entry DOI: 10.7270/Q21V5JDF
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 59 total )  |  Next  |  Last  >>

Jump to: