Compile Data Set for Download or QSAR

Found 156 hits with Last Name = 'dimitrov' and Initial = 't'   

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 JAK3 (Homo sapiens (Human))	BDBM50274586 (CHEMBL4128181) Show SMILES CN(C)C(=O)C(=Cc1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)C#N Show InChI InChI=1S/C24H24N6O2/c1-29(2)24(31)15(13-25)12-17-8-9-20(32-17)23-28-19-14-27-22-18(10-11-26-22)21(19)30(23)16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,26,27)/b15-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human JAK3 using GEEEEYFELVKKKK as substrate in presence of 10 uM [gamma33P]ATP by radiometric method				J Med Chem 61: 5350-5366 (2018) Article DOI: 10.1021/acs.jmedchem.8b00571 BindingDB Entry DOI: 10.7270/Q2QN6988
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50274605 (CHEMBL4128266) Show SMILES N#C\C=C\c1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1 Show InChI InChI=1S/C21H19N5O/c22-11-4-7-15-8-9-18(27-15)21-25-17-13-24-20-16(10-12-23-20)19(17)26(21)14-5-2-1-3-6-14/h4,7-10,12-14H,1-3,5-6H2,(H,23,24)/b7-4+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human JAK3 using GEEEEYFELVKKKK as substrate in presence of 10 uM [gamma33P]ATP by radiometric method				J Med Chem 61: 5350-5366 (2018) Article DOI: 10.1021/acs.jmedchem.8b00571 BindingDB Entry DOI: 10.7270/Q2QN6988
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM245474 (US9428503, 1) Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1 Show InChI InChI=1S/C26H31N5O3/c1-29(2)11-4-12-34-24-8-6-19(16-28-24)18-5-7-22-21(15-18)25-23(17-27-22)30(3)26(32)31(25)20-9-13-33-14-10-20/h5-8,15-17,20H,4,9-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human JAK3 using GEEEEYFELVKKKK as substrate in presence of 10 uM [gamma33P]ATP by radiometric method				J Med Chem 61: 5350-5366 (2018) Article DOI: 10.1021/acs.jmedchem.8b00571 BindingDB Entry DOI: 10.7270/Q2QN6988
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604534 (CHEMBL5191923 | US20230348462, Example 50) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CC(F)C3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50274584 (CHEMBL4125719) Show SMILES N#CC(=Cc1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)C#N |(77.79,-13.81,;79.12,-14.58,;80.45,-15.35,;81.78,-14.58,;83.12,-15.36,;84.45,-14.58,;85.59,-15.61,;84.97,-17.01,;83.44,-16.86,;85.74,-18.34,;85.13,-19.74,;86.27,-20.77,;86.27,-22.32,;87.61,-23.09,;88.94,-22.31,;90.42,-22.78,;91.32,-21.52,;90.4,-20.28,;88.93,-20.76,;87.6,-20,;87.27,-18.5,;88.31,-17.36,;89.82,-17.68,;90.85,-16.53,;90.38,-15.06,;88.86,-14.74,;87.83,-15.89,;80.45,-16.88,;80.45,-18.42,)| Show InChI InChI=1S/C22H18N6O/c23-11-14(12-24)10-16-6-7-19(29-16)22-27-18-13-26-21-17(8-9-25-21)20(18)28(22)15-4-2-1-3-5-15/h6-10,13,15H,1-5H2,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human JAK3 using GEEEEYFELVKKKK as substrate in presence of 10 uM [gamma33P]ATP by radiometric method				J Med Chem 61: 5350-5366 (2018) Article DOI: 10.1021/acs.jmedchem.8b00571 BindingDB Entry DOI: 10.7270/Q2QN6988
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human JAK1 using poly[Glu:Tyr] (4:1) as substrate in presence of 10 uM [gamma33P]ATP by radiometric method				J Med Chem 61: 5350-5366 (2018) Article DOI: 10.1021/acs.jmedchem.8b00571 BindingDB Entry DOI: 10.7270/Q2QN6988
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604528 (CHEMBL5183158 | US20230348462, Example 27) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)cc2F)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604529 (CHEMBL5181829 | US20230348462, Example 28) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)c(F)c2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50274583 (CHEMBL4125861) Show SMILES CN1CCN(CC1)C(=O)C(=Cc1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)C#N Show InChI InChI=1S/C27H29N7O2/c1-32-11-13-33(14-12-32)27(35)18(16-28)15-20-7-8-23(36-20)26-31-22-17-30-25-21(9-10-29-25)24(22)34(26)19-5-3-2-4-6-19/h7-10,15,17,19H,2-6,11-14H2,1H3,(H,29,30)/b18-15+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.740	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human JAK3 using GEEEEYFELVKKKK as substrate in presence of 10 uM [gamma33P]ATP by radiometric method				J Med Chem 61: 5350-5366 (2018) Article DOI: 10.1021/acs.jmedchem.8b00571 BindingDB Entry DOI: 10.7270/Q2QN6988
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604533 (CHEMBL5170132 | US20230348462, Example 49) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CCC3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.920	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604508 (CHEMBL5204162 | US20230348462, Example 17) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CCCN(C)C3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604506 (CHEMBL5179355 | US20230348462, Example 21) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CN(C)C3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604528 (CHEMBL5183158 | US20230348462, Example 27) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)cc2F)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604529 (CHEMBL5181829 | US20230348462, Example 28) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)c(F)c2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604533 (CHEMBL5170132 | US20230348462, Example 49) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CCC3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604534 (CHEMBL5191923 | US20230348462, Example 50) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CC(F)C3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604535 (CHEMBL5198342 | US20230348462, Example 51) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CC(F)(F)C3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM633174 ((RS)-1-(1-(Dimethylamino)propan-2-yl)-3-(4-(1-(2-m...) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC(C)CN(C)C)cc2)n(C)c1=O |w:23.25,$;;;;;;;;;;;;;;;;;;;HN;;;HN;;;;;;;;;;;;$| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50335231 (3-{5-[4-(2-Hydroxy-2-methyl-propionyl)-piperazin-1...) Show SMILES CC(C)(O)C(=O)N1CCN(CC1)c1ccc(c(c1)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)C(F)(F)F |t:20| Show InChI InChI=1S/C27H25F3N4O4/c1-26(2,38)25(37)34-11-9-33(10-12-34)15-7-8-19(27(28,29)30)17(13-15)21-22(24(36)32-23(21)35)18-14-31-20-6-4-3-5-16(18)20/h3-8,13-14,31,38H,9-12H2,1-2H3,(H,32,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human JAK3 using GEEEEYFELVKKKK as substrate in presence of 10 uM [gamma33P]ATP by radiometric method				J Med Chem 61: 5350-5366 (2018) Article DOI: 10.1021/acs.jmedchem.8b00571 BindingDB Entry DOI: 10.7270/Q2QN6988
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM245474 (US9428503, 1) Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1 Show InChI InChI=1S/C26H31N5O3/c1-29(2)11-4-12-34-24-8-6-19(16-28-24)18-5-7-22-21(15-18)25-23(17-27-22)30(3)26(32)31(25)20-9-13-33-14-10-20/h5-8,15-17,20H,4,9-14H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604502 (CHEMBL5203201 | US20230348462, Example 7) Show SMILES CN(C)CCNC(=O)Nc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604504 (CHEMBL5184135 | US20230348462, Example 10) Show SMILES CN(C)CCNC(=O)Nc1ccc(cc1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604505 (CHEMBL5171246 | US20230348462, Example 11) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604506 (CHEMBL5179355 | US20230348462, Example 21) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CN(C)C3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604507 (CHEMBL5204408 | US20230348462, Example 19) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CCN(C)C3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604508 (CHEMBL5204162 | US20230348462, Example 17) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CCCN(C)C3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604510 (CHEMBL5209108 | US20230348462, Example 15) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CCN(CC3)C(=O)OC(C)(C)C)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604511 (CHEMBL5199423 | US20230348462, Example 16) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CCNCC3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604512 (CHEMBL5207887) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC(C)CN(C)C)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604513 (CHEMBL5191914) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N(C)CCN(C)C)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604528 (CHEMBL5183158 | US20230348462, Example 27) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)cc2F)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604529 (CHEMBL5181829 | US20230348462, Example 28) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)c(F)c2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604533 (CHEMBL5170132 | US20230348462, Example 49) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CCC3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604534 (CHEMBL5191923 | US20230348462, Example 50) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CC(F)C3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604535 (CHEMBL5198342 | US20230348462, Example 51) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN3CC(F)(F)C3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM633151 (3-((5-(2-(Furan-2-yl)-1-(tetrahydro-2H-pyran-4-yl)...) Show SMILES CN(C)CCCOc1ccc(cn1)-c1ccc2ncc3nc(-c4ccco4)n(C4CCOCC4)c3c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM633153 (3-((5-(2-(Furan-2-yl)-1-(2-methoxyethyl)-1H-imidaz...) Show SMILES COCCn1c(nc2cnc3ccc(cc3c12)-c1ccc(OCCCN(C)C)nc1)-c1ccco1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604502 (CHEMBL5203201 | US20230348462, Example 7) Show SMILES CN(C)CCNC(=O)Nc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604504 (CHEMBL5184135 | US20230348462, Example 10) Show SMILES CN(C)CCNC(=O)Nc1ccc(cc1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM633157 (8-(6-(3-(Dimethylamino)propoxy)43uinolin-3-yl)-1-(...) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604510 (CHEMBL5209108 | US20230348462, Example 15) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CCN(CC3)C(=O)OC(C)(C)C)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604511 (CHEMBL5199423 | US20230348462, Example 16) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CCNCC3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604505 (CHEMBL5171246 | US20230348462, Example 11) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604507 (CHEMBL5204408 | US20230348462, Example 19) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NC3CCN(C)C3)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604513 (CHEMBL5191914) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)N(C)CCN(C)C)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604505 (CHEMBL5171246 | US20230348462, Example 11) Show SMILES COCCn1c2c(cnc3ccc(cc23)-c2ccc(NC(=O)NCCN(C)C)cc2)n(C)c1=O Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.ejmech.2022.114234 BindingDB Entry DOI: 10.7270/Q27M0D1D
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50193995 (3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...) Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r| Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human JAK2 using poly[Glu:Tyr] (4:1) as substrate in presence of 10 uM [gamma33P]ATP by radiometric method				J Med Chem 61: 5350-5366 (2018) Article DOI: 10.1021/acs.jmedchem.8b00571 BindingDB Entry DOI: 10.7270/Q2QN6988
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50274586 (CHEMBL4128181) Show SMILES CN(C)C(=O)C(=Cc1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)C#N Show InChI InChI=1S/C24H24N6O2/c1-29(2)24(31)15(13-25)12-17-8-9-20(32-17)23-28-19-14-27-22-18(10-11-26-22)21(19)30(23)16-6-4-3-5-7-16/h8-12,14,16H,3-7H2,1-2H3,(H,26,27)/b15-12+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Eberhard Karls University T£bingen Curated by ChEMBL					Assay Description Inhibition of human JAK3 using GEEEEYFELVKKKK as substrate in presence of 200 uM [gamma33P]ATP by radiometric method				J Med Chem 61: 5350-5366 (2018) Article DOI: 10.1021/acs.jmedchem.8b00571 BindingDB Entry DOI: 10.7270/Q2QN6988
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM50604503 (CHEMBL5201821 | US20230348462, Example 8) Show SMILES CN1CCN(CC1)C(=O)Nc1ccc(cn1)-c1ccc2ncc3n(C)c(=O)n(C4CCOCC4)c3c2c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 156 total )  |  Next  |  Last  >>

Jump to: