Compile Data Set for Download or QSAR

Found 2256 hits with Last Name = 'wortmann' and Initial = 'l'   

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
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218770 (US9296757, 92) Show SMILES COc1cc2[nH]c(=O)sc2cc1Nc1ncnc2sc3CC(CCc3c12)C(=O)N(CCN(C)C)Cc1ccccc1 |w:21.30| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218771 (US9296757, 93) Show SMILES COCCN(CCOC)C(=O)C1CCc2c(C1)sc1ncnc(Nc3cc4sc(=O)[nH]c4cc3OC)c21 |w:11.10| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha (Homo sapiens)	BDBM50611048 (BAY-091) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PDB UniChem	PDB	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				3D Structure (crystal)
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218766 (US9296757, 88) Show SMILES CCCCN(CC#N)C(=O)C1CCc2c(C1)sc1ncnc(Nc3cc4sc(=O)[nH]c4cc3OC)c21 |w:10.9| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 [1-424] (Homo sapiens (Human))	BDBM227719 (3-bromo-n-(6-methoxy-1h-indazol-5-yl)-1h-pyrazolo[...) Show SMILES COc1cc2[nH]ncc2cc1Nc1ncnc2[nH]nc(Br)c12 Show InChI InChI=1S/C13H10BrN7O/c1-22-9-3-7-6(4-17-19-7)2-8(9)18-12-10-11(14)20-21-13(10)16-5-15-12/h2-5H,1H3,(H,17,19)(H2,15,16,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...				US Patent US9556181 (2017) BindingDB Entry DOI: 10.7270/Q2C53NTH
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218768 (US9296757, 90) Show SMILES CCN(CCOC)C(=O)C1CCc2c(C1)sc1ncnc(Nc3cc4sc(=O)[nH]c4cc3OC)c21 |w:9.8| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 [1-424] (Homo sapiens (Human))	BDBM227732 (3-bromo-n-(6-isopropoxy-1h-indazol-5-yl)-1h-pyrazo...) Show SMILES CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2[nH]nc(Br)c12 Show InChI InChI=1S/C15H14BrN7O/c1-7(2)24-11-4-9-8(5-19-21-9)3-10(11)20-14-12-13(16)22-23-15(12)18-6-17-14/h3-7H,1-2H3,(H,19,21)(H2,17,18,20,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...				US Patent US9556181 (2017) BindingDB Entry DOI: 10.7270/Q2C53NTH
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218767 (US9296757, 89) Show SMILES CCCCN(C)C(=O)C1CCc2c(C1)sc1ncnc(Nc3cc4sc(=O)[nH]c4cc3OC)c21 |w:8.7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha (Homo sapiens)	BDBM50611049 (CHEMBL5280127) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459773 (3,3-dimethyl-2-{2-[(3R)-3-methylmorpholin-4-yl]-8-...) Show SMILES C[C@@H]1COCCN1c1cc(c2ccnc(-c3ccn[nH]3)c2n1)C(C)(O)C(C)(C)C |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 [1-424] (Homo sapiens (Human))	BDBM227719 (3-bromo-n-(6-methoxy-1h-indazol-5-yl)-1h-pyrazolo[...) Show SMILES COc1cc2[nH]ncc2cc1Nc1ncnc2[nH]nc(Br)c12 Show InChI InChI=1S/C13H10BrN7O/c1-22-9-3-7-6(4-17-19-7)2-8(9)18-12-10-11(14)20-21-13(10)16-5-15-12/h2-5H,1H3,(H,17,19)(H2,15,16,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...				US Patent US9556181 (2017) BindingDB Entry DOI: 10.7270/Q2C53NTH
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 [1-424] (Homo sapiens (Human))	BDBM227728 (3-(4-fluorophenyl)-n-(6-methoxy-1h-indazol-5-yl)-1...) Show SMILES COc1cc2[nH]ncc2cc1Nc1ncnc2[nH]nc(-c3ccc(F)cc3)c12 Show InChI InChI=1S/C19H14FN7O/c1-28-15-7-13-11(8-23-25-13)6-14(15)24-18-16-17(10-2-4-12(20)5-3-10)26-27-19(16)22-9-21-18/h2-9H,1H3,(H,23,25)(H2,21,22,24,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...				US Patent US9556181 (2017) BindingDB Entry DOI: 10.7270/Q2C53NTH
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218765 (US9296757, 87) Show SMILES CCCN(CCOC)C(=O)C1CCc2c(C1)sc1ncnc(Nc3cc4sc(=O)[nH]c4cc3OC)c21 |w:10.9| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha (Homo sapiens)	BDBM50611049 (CHEMBL5280127) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha (Homo sapiens)	BDBM50611048 (BAY-091) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PDB UniChem	PDB	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-interacting serine/threonine-protein kinase 1 [1-424] (Homo sapiens (Human))	BDBM227719 (3-bromo-n-(6-methoxy-1h-indazol-5-yl)-1h-pyrazolo[...) Show SMILES COc1cc2[nH]ncc2cc1Nc1ncnc2[nH]nc(Br)c12 Show InChI InChI=1S/C13H10BrN7O/c1-22-9-3-7-6(4-17-19-7)2-8(9)18-12-10-11(14)20-21-13(10)16-5-15-12/h2-5H,1H3,(H,17,19)(H2,15,16,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...				US Patent US9556181 (2017) BindingDB Entry DOI: 10.7270/Q2C53NTH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50427326 (CHEMBL2325697) Show SMILES C[C@@H]1COCCN1c1cc(nc(n1)-c1cccc2[nH]ccc12)C1(CC1)S(C)(=O)=O |r| Show InChI InChI=1S/C21H24N4O3S/c1-14-13-28-11-10-25(14)19-12-18(21(7-8-21)29(2,26)27)23-20(24-19)16-4-3-5-17-15(16)6-9-22-17/h3-6,9,12,14,22H,7-8,10-11,13H2,1-2H3/t14-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218764 (US9296757, 86) Show SMILES CCN(C(C)C)C(=O)C1CCc2c(C1)sc1ncnc(Nc3cc4sc(=O)[nH]c4cc3OC)c21 |w:8.7| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
ATR-interacting protein (Homo sapiens (Human))	BDBM453145 ((1-{5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H...) Show SMILES C[C@@H]1COCCN1c1cc(N2CCC(CO)CC2)c2c(C)cnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description ATR kinase phosphorylates a biotinylated peptide derived from Rad17 (sequence: biotin-PEG2-ASELPASQPQPFS-amide, produced by Biosyntan GmbH, Berlin). ...				US Patent US10729680 (2020) BindingDB Entry DOI: 10.7270/Q2CJ8HJZ
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218763 (US9296757, 85) Show SMILES COc1cc2[nH]c(=O)sc2cc1Nc1ncnc2sc3CC(CCc3c12)C(=O)N(C)C |w:21.30| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
Glutathione S-transferase A1/Isoform 2 of MAP kinase-interacting serine/threonine-protein kinase 1 (MNK1a) [T344D] (Homo sapiens (Human))	BDBM218709 (US9296757, 31) Show SMILES COc1cc2[nH]c(=O)sc2cc1Nc1ncnc2sc3CC(CCc3c12)C(=O)NC(C)C |w:21.30| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.5	22
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				US Patent US9296757 (2016) BindingDB Entry DOI: 10.7270/Q2XK8DD7
					More data for this Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268208 (US10772893, Example 241 | US11529356, Example 241 ...) Show SMILES C[C@@H]1COCCN1c1cc(C2CCSCC2)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.06	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474FQK
					More data for this Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268208 (US10772893, Example 241 | US11529356, Example 241 ...) Show SMILES C[C@@H]1COCCN1c1cc(C2CCSCC2)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.06	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US10772893 (2020) BindingDB Entry DOI: 10.7270/Q2T43X50
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268208 (US10772893, Example 241 | US11529356, Example 241 ...) Show SMILES C[C@@H]1COCCN1c1cc(C2CCSCC2)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.06	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US9549932 (2017) BindingDB Entry DOI: 10.7270/Q27S7QSC
					More data for this Ligand-Target Pair
ATR-interacting protein (Homo sapiens (Human))	BDBM453180 ((5-{5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H...) Show SMILES C[C@@H]1COCCN1c1cc(-c2ccc(CO)s2)c2c(C)cnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.09	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description ATR kinase phosphorylates a biotinylated peptide derived from Rad17 (sequence: biotin-PEG2-ASELPASQPQPFS-amide, produced by Biosyntan GmbH, Berlin). ...				US Patent US10729680 (2020) BindingDB Entry DOI: 10.7270/Q2CJ8HJZ
					More data for this Ligand-Target Pair
ATR-interacting protein (Homo sapiens (Human))	BDBM453165 (N-(4-{5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(...) Show SMILES C[C@@H]1COCCN1c1cc(-c2ccc(NS(C)(=O)=O)cc2)c2c(C)cnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.31	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description ATR kinase phosphorylates a biotinylated peptide derived from Rad17 (sequence: biotin-PEG2-ASELPASQPQPFS-amide, produced by Biosyntan GmbH, Berlin). ...				US Patent US10729680 (2020) BindingDB Entry DOI: 10.7270/Q2CJ8HJZ
					More data for this Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459603 (US10772893, Example 112 | US11529356, Example 112) Show SMILES C[C@@H]1COCCN1c1cc(-c2cc(C)no2)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.74	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474FQK
					More data for this Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459603 (US10772893, Example 112 | US11529356, Example 112) Show SMILES C[C@@H]1COCCN1c1cc(-c2cc(C)no2)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.74	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US10772893 (2020) BindingDB Entry DOI: 10.7270/Q2T43X50
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268080 (2-[(3R)-3-methylmorpholin-4-yl]-4-(3-methyl-1,2-ox...) Show SMILES C[C@@H]1COCCN1c1cc(-c2cc(C)no2)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r| Show InChI InChI=1S/C25H28N6O3/c1-16-13-21(34-29-16)19-14-22(30-10-12-32-15-17(30)2)28-24-18(19)6-8-26-25(24)20-7-9-27-31(20)23-5-3-4-11-33-23/h6-9,13-14,17,23H,3-5,10-12,15H2,1-2H3/t17-,23?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.74	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US9549932 (2017) BindingDB Entry DOI: 10.7270/Q27S7QSC
					More data for this Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459573 (US10772893, Example 82 | US11529356, Example 82) Show SMILES C[C@@H]1COCCN1c1cc(N2CCN(CC2)S(C)(=O)=O)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US10772893 (2020) BindingDB Entry DOI: 10.7270/Q2T43X50
					More data for this Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459573 (US10772893, Example 82 | US11529356, Example 82) Show SMILES C[C@@H]1COCCN1c1cc(N2CCN(CC2)S(C)(=O)=O)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474FQK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268050 (2-[(3R)-3-methylmorpholin-4-yl]-4-[4-(methylsulfon...) Show SMILES C[C@@H]1COCCN1c1cc(N2CCN(CC2)S(C)(=O)=O)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r| Show InChI InChI=1S/C26H35N7O4S/c1-19-18-36-16-14-32(19)23-17-22(30-10-12-31(13-11-30)38(2,34)35)20-6-8-27-26(25(20)29-23)21-7-9-28-33(21)24-5-3-4-15-37-24/h6-9,17,19,24H,3-5,10-16,18H2,1-2H3/t19-,24?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US9549932 (2017) BindingDB Entry DOI: 10.7270/Q27S7QSC
					More data for this Ligand-Target Pair
ATR-interacting protein (Homo sapiens (Human))	BDBM453147 (N-(2,2-dimethylpropyl)-N,5-dimethyl-2-[(3R)-3-meth...) Show SMILES C[C@@H]1COCCN1c1cc(N(C)CC(C)(C)C)c2c(C)cnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.93	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description ATR kinase phosphorylates a biotinylated peptide derived from Rad17 (sequence: biotin-PEG2-ASELPASQPQPFS-amide, produced by Biosyntan GmbH, Berlin). ...				US Patent US10729680 (2020) BindingDB Entry DOI: 10.7270/Q2CJ8HJZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459573 (US10772893, Example 82 | US11529356, Example 82) Show SMILES C[C@@H]1COCCN1c1cc(N2CCN(CC2)S(C)(=O)=O)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bayer AG Curated by ChEMBL					Assay Description Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...				J Med Chem 63: 7293-7325 (2020) Article DOI: 10.1021/acs.jmedchem.0c00369 BindingDB Entry DOI: 10.7270/Q29C71ZT
					More data for this Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha (Homo sapiens)	BDBM50610997 (CHEMBL5276719) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50577292 (CHEMBL4870563) Show SMILES Cn1nc(C2CCOCC2)c2c1cnc1ccc(cc21)-c1cncc(c1)C(F)F Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of DNA-PK (unknown origin) using biotin-PEG2-TWSLPLSQDSASE-amide as substrate incubated for 60 mins in presence of ATP by TR-FRET assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00762 BindingDB Entry DOI: 10.7270/Q2XK8KD9
					More data for this Ligand-Target Pair
ATR-interacting protein (Homo sapiens (Human))	BDBM453139 (4-(2-chloro-1-methyl-1H-imidazol-5-yl)-5-methyl-2-...) Show SMILES C[C@@H]1COCCN1c1cc(-c2cnc(Cl)n2C)c2c(C)cnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.07	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description ATR kinase phosphorylates a biotinylated peptide derived from Rad17 (sequence: biotin-PEG2-ASELPASQPQPFS-amide, produced by Biosyntan GmbH, Berlin). ...				US Patent US10729680 (2020) BindingDB Entry DOI: 10.7270/Q2CJ8HJZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268038 (4-(1-methyl-1H-imidazol-5-yl)-2-[(3R)-3-methylmorp...) Show SMILES C[C@@H]1COCCN1c1cc(-c2cncn2C)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r| Show InChI InChI=1S/C25H29N7O2/c1-17-15-33-12-10-31(17)22-13-19(21-14-26-16-30(21)2)18-6-8-27-25(24(18)29-22)20-7-9-28-32(20)23-5-3-4-11-34-23/h6-9,13-14,16-17,23H,3-5,10-12,15H2,1-2H3/t17-,23?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.17	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US9549932 (2017) BindingDB Entry DOI: 10.7270/Q27S7QSC
					More data for this Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459561 (US10772893, Example 70 | US11529356, Example 70) Show SMILES C[C@@H]1COCCN1c1cc(-c2cncn2C)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474FQK
					More data for this Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459561 (US10772893, Example 70 | US11529356, Example 70) Show SMILES C[C@@H]1COCCN1c1cc(-c2cncn2C)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.17	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US10772893 (2020) BindingDB Entry DOI: 10.7270/Q2T43X50
					More data for this Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459560 (US10772893, Example 69 | US11529356, Example 69) Show SMILES CCn1nccc1-c1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOC[C@H]1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.34	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US10772893 (2020) BindingDB Entry DOI: 10.7270/Q2T43X50
					More data for this Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459560 (US10772893, Example 69 | US11529356, Example 69) Show SMILES CCn1nccc1-c1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOC[C@H]1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.34	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474FQK
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268037 (4-(1-ethyl-1H-pyrazol-5-yl)-2-[(3R)-3-methylmorpho...) Show SMILES CCn1nccc1-c1cc(nc2c(nccc12)-c1ccnn1C1CCCCO1)N1CCOC[C@H]1C |r| Show InChI InChI=1S/C26H31N7O2/c1-3-32-21(8-11-28-32)20-16-23(31-13-15-34-17-18(31)2)30-25-19(20)7-10-27-26(25)22-9-12-29-33(22)24-6-4-5-14-35-24/h7-12,16,18,24H,3-6,13-15,17H2,1-2H3/t18-,24?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.34	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US9549932 (2017) BindingDB Entry DOI: 10.7270/Q27S7QSC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268051 (N-(2,2-dimethylpropyl)-N-methyl-2-[(3R)-3-methylmo...) Show SMILES C[C@@H]1COCCN1c1cc(N(C)CC(C)(C)C)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r| Show InChI InChI=1S/C27H38N6O2/c1-19-17-34-15-13-32(19)23-16-22(31(5)18-27(2,3)4)20-9-11-28-26(25(20)30-23)21-10-12-29-33(21)24-8-6-7-14-35-24/h9-12,16,19,24H,6-8,13-15,17-18H2,1-5H3/t19-,24?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.38	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US9549932 (2017) BindingDB Entry DOI: 10.7270/Q27S7QSC
					More data for this Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459574 (US10772893, Example 83 | US11529356, Example 83) Show SMILES C[C@@H]1COCCN1c1cc(N(C)CC(C)(C)C)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.38	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474FQK
					More data for this Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459574 (US10772893, Example 83 | US11529356, Example 83) Show SMILES C[C@@H]1COCCN1c1cc(N(C)CC(C)(C)C)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.38	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US10772893 (2020) BindingDB Entry DOI: 10.7270/Q2T43X50
					More data for this Ligand-Target Pair
ATR-interacting protein (Homo sapiens (Human))	BDBM453146 (5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-4-[4-(met...) Show SMILES C[C@@H]1COCCN1c1cc(N2CCN(CC2)S(C)(=O)=O)c2c(C)cnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.49	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description ATR kinase phosphorylates a biotinylated peptide derived from Rad17 (sequence: biotin-PEG2-ASELPASQPQPFS-amide, produced by Biosyntan GmbH, Berlin). ...				US Patent US10729680 (2020) BindingDB Entry DOI: 10.7270/Q2CJ8HJZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha (Homo sapiens)	BDBM50610997 (CHEMBL5276719) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	UniChem		n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459562 (US10772893, Example 71 | US11529356, Example 71) Show SMILES C[C@@H]1COCCN1c1cc(-c2ccccc2N)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.65	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...				Citation and Details BindingDB Entry DOI: 10.7270/Q2474FQK
					More data for this Ligand-Target Pair
ATR-interacting protein/Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM459562 (US10772893, Example 71 | US11529356, Example 71) Show SMILES C[C@@H]1COCCN1c1cc(-c2ccccc2N)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.65	n/a	n/a	n/a	n/a	n/a	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...				US Patent US10772893 (2020) BindingDB Entry DOI: 10.7270/Q2T43X50
					More data for this Ligand-Target Pair

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