Compile Data Set for Download or QSAR

Found 362 hits with Last Name = 'alexander' and Initial = 'md'   

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
Cannabinoid receptor 1/2 (Rattus norvegicus (Rat)-Rattus norvegicus (rat))	BDBM50212379 (CHEMBL125462) Show SMILES COc1ccc(\C=C2/C=C(CCN3CCOCC3)c3ccccc23)cc1 |t:8| Show InChI InChI=1S/C23H25NO2/c1-25-21-8-6-18(7-9-21)16-20-17-19(22-4-2-3-5-23(20)22)10-11-24-12-14-26-15-13-24/h2-9,16-17H,10-15H2,1H3/b20-16+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of 0.5 nM [3H](R)-(+)-WIN-55212-2 from Cannabinoid receptor of rat cerebellar membranes				Bioorg Med Chem Lett 5: 381-386 (1995) Article DOI: 10.1016/0960-894X(95)00040-Z BindingDB Entry DOI: 10.7270/Q2571BZN
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348745 (US9790235, Number I-1) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)ccc5[N+]([O-])=O)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C21H16FN5O3S/c1-10-9-23-19-18-12-3-7-17(26-14-8-11(22)2-5-15(14)27(29)30)25-13(12)4-6-16(18)31-20(19)21(28)24-10/h2-8,10,23H,9H2,1H3,(H,24,28)(H,25,26)/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348746 (US9790235, Number I-2) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)ccc5C#N)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C22H16FN5OS/c1-11-10-25-20-19-14-4-7-18(28-16-8-13(23)3-2-12(16)9-24)27-15(14)5-6-17(19)30-21(20)22(29)26-11/h2-8,11,25H,10H2,1H3,(H,26,29)(H,27,28)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348747 (US9790235, Number I-3) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5ccnc(F)c5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C20H16FN5OS/c1-10-9-23-18-17-12-2-5-16(25-11-6-7-22-15(21)8-11)26-13(12)3-4-14(17)28-19(18)20(27)24-10/h2-8,10,23H,9H2,1H3,(H,24,27)(H,22,25,26)/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348748 (US9790235, Number I-4) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5ccnc(Cl)c5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C20H16ClN5OS/c1-10-9-23-18-17-12-2-5-16(25-11-6-7-22-15(21)8-11)26-13(12)3-4-14(17)28-19(18)20(27)24-10/h2-8,10,23H,9H2,1H3,(H,24,27)(H,22,25,26)/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348750 (US9790235, Number I-5) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5ccnc(Cl)n5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C19H15ClN6OS/c1-9-8-22-16-15-10-2-5-13(25-14-6-7-21-19(20)26-14)24-11(10)3-4-12(15)28-17(16)18(27)23-9/h2-7,9,22H,8H2,1H3,(H,23,27)(H,21,24,25,26)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348751 (US9790235, Number I-6) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(F)c5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C20H15F2N5OS/c1-9-8-23-18-17-11-2-5-16(25-10-6-14(21)27-15(22)7-10)26-12(11)3-4-13(17)29-19(18)20(28)24-9/h2-7,9,23H,8H2,1H3,(H,24,28)(H,25,26,27)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348753 (US9790235, Number I-7) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(Cl)ncn5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C19H15ClN6OS/c1-9-7-21-17-16-10-2-5-14(26-15-6-13(20)22-8-23-15)25-11(10)3-4-12(16)28-18(17)19(27)24-9/h2-6,8-9,21H,7H2,1H3,(H,24,27)(H,22,23,25,26)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348754 (US9790235, Number I-8) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5ccnc(F)n5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C19H15FN6OS/c1-9-8-22-16-15-10-2-5-13(25-14-6-7-21-19(20)26-14)24-11(10)3-4-12(15)28-17(16)18(27)23-9/h2-7,9,22H,8H2,1H3,(H,23,27)(H,21,24,25,26)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348755 (US9790235, Number I-9) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nc(Cl)ncc5C(N)=O)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C20H16ClN7O2S/c1-8-6-23-15-14-9-2-5-13(27-18-10(17(22)29)7-24-20(21)28-18)26-11(9)3-4-12(14)31-16(15)19(30)25-8/h2-5,7-8,23H,6H2,1H3,(H2,22,29)(H,25,30)(H,24,26,27,28)/t8-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348757 (US9790235, Number I-10) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nc(Cl)nc(n5)N5CCN(C)CC5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C23H24ClN9OS/c1-12-11-25-18-17-13-3-6-16(27-14(13)4-5-15(17)35-19(18)20(34)26-12)28-22-29-21(24)30-23(31-22)33-9-7-32(2)8-10-33/h3-6,12,25H,7-11H2,1-2H3,(H,26,34)(H,27,28,29,30,31)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348759 (US9790235, Number I-11) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)ncn5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C19H15FN6OS/c1-9-7-21-17-16-10-2-5-14(26-15-6-13(20)22-8-23-15)25-11(10)3-4-12(16)28-18(17)19(27)24-9/h2-6,8-9,21H,7H2,1H3,(H,24,27)(H,22,23,25,26)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348762 (US9790235, Number I-14) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5ccnc(n5)S(C)(=O)=O)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C20H18N6O3S2/c1-10-9-22-17-16-11-3-6-14(25-15-7-8-21-20(26-15)31(2,28)29)24-12(11)4-5-13(16)30-18(17)19(27)23-10/h3-8,10,22H,9H2,1-2H3,(H,23,27)(H,21,24,25,26)/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348763 (US9790235, Number I-15) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(Cl)ncc5C(N)=O)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C21H17ClN6O2S/c1-9-7-25-18-17-10-2-5-16(28-13-6-15(22)24-8-11(13)20(23)29)27-12(10)3-4-14(17)31-19(18)21(30)26-9/h2-6,8-9,25H,7H2,1H3,(H2,23,29)(H,26,30)(H,24,27,28)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348765 (US9790235, Number I-16) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nc(Cl)ncc5C#N)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C20H14ClN7OS/c1-9-7-23-16-15-11-2-5-14(27-18-10(6-22)8-24-20(21)28-18)26-12(11)3-4-13(15)30-17(16)19(29)25-9/h2-5,8-9,23H,7H2,1H3,(H,25,29)(H,24,26,27,28)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348766 (US9790235, Number I-17) Show SMILES OC[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)ncn5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C19H15FN6O2S/c20-13-5-15(23-8-22-13)26-14-4-1-10-11(25-14)2-3-12-16(10)17-18(29-12)19(28)24-9(7-27)6-21-17/h1-5,8-9,21,27H,6-7H2,(H,24,28)(H,22,23,25,26)/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348767 (US9790235, Number I-18) Show SMILES CCOC(=O)c1cnc(Cl)nc1Nc1ccc2c3c4NC[C@@H](C)NC(=O)c4sc3ccc2n1 |r| Show InChI InChI=1S/C22H19ClN6O3S/c1-3-32-21(31)12-9-25-22(23)29-19(12)28-15-7-4-11-13(27-15)5-6-14-16(11)17-18(33-14)20(30)26-10(2)8-24-17/h4-7,9-10,24H,3,8H2,1-2H3,(H,26,30)(H,25,27,28,29)/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348768 (US9790235, Number I-19) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nc(Cl)ncc5C(=O)NC5CCN(C)CC5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C26H27ClN8O2S/c1-13-11-28-21-20-15-3-6-19(32-17(15)4-5-18(20)38-22(21)25(37)30-13)33-23-16(12-29-26(27)34-23)24(36)31-14-7-9-35(2)10-8-14/h3-6,12-14,28H,7-11H2,1-2H3,(H,30,37)(H,31,36)(H,29,32,33,34)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348769 (US9790235, Number I-20) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nc(Cl)ncc5C(=O)NC5COC5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C23H20ClN7O3S/c1-10-6-25-18-17-12-2-5-16(29-14(12)3-4-15(17)35-19(18)22(33)27-10)30-20-13(7-26-23(24)31-20)21(32)28-11-8-34-9-11/h2-5,7,10-11,25H,6,8-9H2,1H3,(H,27,33)(H,28,32)(H,26,29,30,31)/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348770 (US9790235, Number I-21) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nc(Cl)ncc5C(=O)NC5CC5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C23H20ClN7O2S/c1-10-8-25-18-17-12-4-7-16(29-14(12)5-6-15(17)34-19(18)22(33)27-10)30-20-13(9-26-23(24)31-20)21(32)28-11-2-3-11/h4-7,9-11,25H,2-3,8H2,1H3,(H,27,33)(H,28,32)(H,26,29,30,31)/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348771 (US9790235, Number I-22) Show SMILES OC[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(Cl)ncn5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C19H15ClN6O2S/c20-13-5-15(23-8-22-13)26-14-4-1-10-11(25-14)2-3-12-16(10)17-18(29-12)19(28)24-9(7-27)6-21-17/h1-5,8-9,21,27H,6-7H2,(H,24,28)(H,22,23,25,26)/t9-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348772 (US9790235, Number I-23) Show SMILES CCOC(=O)c1cnc(Nc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)nc1Cl |r| Show InChI InChI=1S/C22H19ClN6O3S/c1-3-32-21(31)12-9-25-22(29-19(12)23)28-15-7-4-11-13(27-15)5-6-14-16(11)17-18(33-14)20(30)26-10(2)8-24-17/h4-7,9-10,24H,3,8H2,1-2H3,(H,26,30)(H,25,27,28,29)/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348774 (US9790235, Number I-25) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(Cl)ncc5C#N)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C21H15ClN6OS/c1-10-8-25-19-18-12-2-5-17(28-14-6-16(22)24-9-11(14)7-23)27-13(12)3-4-15(18)30-20(19)21(29)26-10/h2-6,9-10,25H,8H2,1H3,(H,26,29)(H,24,27,28)/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348775 (US9790235, Number I-26) Show SMILES NC[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)ncn5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C19H16FN7OS/c20-13-5-15(24-8-23-13)27-14-4-1-10-11(26-14)2-3-12-16(10)17-18(29-12)19(28)25-9(6-21)7-22-17/h1-5,8-9,22H,6-7,21H2,(H,25,28)(H,23,24,26,27)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348776 (US9790235, Number I-27) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)ncc5C#N)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C21H15FN6OS/c1-10-8-25-19-18-12-2-5-17(28-14-6-16(22)24-9-11(14)7-23)27-13(12)3-4-15(18)30-20(19)21(29)26-10/h2-6,9-10,25H,8H2,1H3,(H,26,29)(H,24,27,28)/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348777 (US9790235, Number I-28) Show SMILES NC[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(Cl)ncn5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C19H16ClN7OS/c20-13-5-15(24-8-23-13)27-14-4-1-10-11(26-14)2-3-12-16(10)17-18(29-12)19(28)25-9(6-21)7-22-17/h1-5,8-9,22H,6-7,21H2,(H,25,28)(H,23,24,26,27)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348778 (US9790235, Number I-29) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)ncc5C(N)=O)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C21H17FN6O2S/c1-9-7-25-18-17-10-2-5-16(28-13-6-15(22)24-8-11(13)20(23)29)27-12(10)3-4-14(17)31-19(18)21(30)26-9/h2-6,8-9,25H,7H2,1H3,(H2,23,29)(H,26,30)(H,24,27,28)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348779 (US9790235, Number I-30) Show SMILES NC(=O)c1cnc(Cl)nc1Nc1ccc2c3c4NC[C@@H](CO)NC(=O)c4sc3ccc2n1 |r| Show InChI InChI=1S/C20H16ClN7O3S/c21-20-24-6-10(17(22)30)18(28-20)27-13-4-1-9-11(26-13)2-3-12-14(9)15-16(32-12)19(31)25-8(7-29)5-23-15/h1-4,6,8,23,29H,5,7H2,(H2,22,30)(H,25,31)(H,24,26,27,28)/t8-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348781 (US9790235, Number I-32) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(OCCN(C)C)n5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C23H24FN7O2S/c1-12-11-25-20-19-13-4-7-17(27-14(13)5-6-15(19)34-21(20)22(32)26-12)29-18-10-16(24)28-23(30-18)33-9-8-31(2)3/h4-7,10,12,25H,8-9,11H2,1-3H3,(H,26,32)(H,27,28,29,30)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348786 (US9790235, Number I-37) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(OC6COC6)n5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C22H19FN6O3S/c1-10-7-24-19-18-12-2-5-16(26-13(12)3-4-14(18)33-20(19)21(30)25-10)28-17-6-15(23)27-22(29-17)32-11-8-31-9-11/h2-6,10-11,24H,7-9H2,1H3,(H,25,30)(H,26,27,28,29)/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348787 (US9790235, Number I-38) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(ccc4c23)N(C)c2cc(F)ncn2)C(=O)N1 |r| Show InChI InChI=1S/C20H17FN6OS/c1-10-8-22-18-17-11-3-6-15(27(2)16-7-14(21)23-9-24-16)26-12(11)4-5-13(17)29-19(18)20(28)25-10/h3-7,9-10,22H,8H2,1-2H3,(H,25,28)/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348788 (US9790235, Number I-39) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(OCC6(C)COC6)n5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C24H23FN6O3S/c1-12-8-26-20-19-13-3-6-17(28-14(13)4-5-15(19)35-21(20)22(32)27-12)30-18-7-16(25)29-23(31-18)34-11-24(2)9-33-10-24/h3-7,12,26H,8-11H2,1-2H3,(H,27,32)(H,28,29,30,31)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348789 (US9790235, Number I-40) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(O[C@H]6CCOC6)n5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C23H21FN6O3S/c1-11-9-25-20-19-13-2-5-17(27-14(13)3-4-15(19)34-21(20)22(31)26-11)29-18-8-16(24)28-23(30-18)33-12-6-7-32-10-12/h2-5,8,11-12,25H,6-7,9-10H2,1H3,(H,26,31)(H,27,28,29,30)/t11-,12+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348790 (US9790235, Number I-41) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(O[C@@H]6CCOC6)n5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C23H21FN6O3S/c1-11-9-25-20-19-13-2-5-17(27-14(13)3-4-15(19)34-21(20)22(31)26-11)29-18-8-16(24)28-23(30-18)33-12-6-7-32-10-12/h2-5,8,11-12,25H,6-7,9-10H2,1H3,(H,26,31)(H,27,28,29,30)/t11-,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348791 (US9790235, Number I-42) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nc(F)cc(OC6COC6)n5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C22H19FN6O3S/c1-10-7-24-19-18-12-2-5-16(26-13(12)3-4-14(18)33-20(19)21(30)25-10)28-22-27-15(23)6-17(29-22)32-11-8-31-9-11/h2-6,10-11,24H,7-9H2,1H3,(H,25,30)(H,26,27,28,29)/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348792 (US9790235, Number I-43) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nc(F)cc(OCC6(C)COC6)n5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C24H23FN6O3S/c1-12-8-26-20-19-13-3-6-17(28-14(13)4-5-15(19)35-21(20)22(32)27-12)30-23-29-16(25)7-18(31-23)34-11-24(2)9-33-10-24/h3-7,12,26H,8-11H2,1-2H3,(H,27,32)(H,28,29,30,31)/t12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348793 (US9790235, Number I-44) Show SMILES COCCOc1nc(F)cc(Nc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)n1 |r| Show InChI InChI=1S/C22H21FN6O3S/c1-11-10-24-19-18-12-3-6-16(26-13(12)4-5-14(18)33-20(19)21(30)25-11)28-17-9-15(23)27-22(29-17)32-8-7-31-2/h3-6,9,11,24H,7-8,10H2,1-2H3,(H,25,30)(H,26,27,28,29)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348794 (US9790235, Number I-45) Show SMILES COCCOc1cc(F)nc(Nc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)n1 |r| Show InChI InChI=1S/C22H21FN6O3S/c1-11-10-24-19-18-12-3-6-16(26-13(12)4-5-14(18)33-20(19)21(30)25-11)28-22-27-15(23)9-17(29-22)32-8-7-31-2/h3-6,9,11,24H,7-8,10H2,1-2H3,(H,25,30)(H,26,27,28,29)/t11-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348795 (US9790235, Number I-46) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nc(F)cc(O[C@@H]6CCOC6)n5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C23H21FN6O3S/c1-11-9-25-20-19-13-2-5-17(27-14(13)3-4-15(19)34-21(20)22(31)26-11)29-23-28-16(24)8-18(30-23)33-12-6-7-32-10-12/h2-5,8,11-12,25H,6-7,9-10H2,1H3,(H,26,31)(H,27,28,29,30)/t11-,12-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348796 (US9790235, Number I-47) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(OC6CCCN(C)C6)n5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C25H26FN7O2S/c1-13-11-27-22-21-15-5-8-19(29-16(15)6-7-17(21)36-23(22)24(34)28-13)31-20-10-18(26)30-25(32-20)35-14-4-3-9-33(2)12-14/h5-8,10,13-14,27H,3-4,9,11-12H2,1-2H3,(H,28,34)(H,29,30,31,32)/t13-,14?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348797 (US9790235, Number I-48) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(OCCN6CCN(C)CC6)n5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C26H29FN8O2S/c1-15-14-28-23-22-16-3-6-20(30-17(16)4-5-18(22)38-24(23)25(36)29-15)32-21-13-19(27)31-26(33-21)37-12-11-35-9-7-34(2)8-10-35/h3-6,13,15,28H,7-12,14H2,1-2H3,(H,29,36)(H,30,31,32,33)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348798 (US9790235, Number I-49) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(F)nc(O[C@@H]6CCN(C)C6)n5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C24H24FN7O2S/c1-12-10-26-21-20-14-3-6-18(28-15(14)4-5-16(20)35-22(21)23(33)27-12)30-19-9-17(25)29-24(31-19)34-13-7-8-32(2)11-13/h3-6,9,12-13,26H,7-8,10-11H2,1-2H3,(H,27,33)(H,28,29,30,31)/t12-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348799 (US9790235, Number I-50) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5nc(F)cc(O[C@H]6CCOC6)n5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C23H21FN6O3S/c1-11-9-25-20-19-13-2-5-17(27-14(13)3-4-15(19)34-21(20)22(31)26-11)29-23-28-16(24)8-18(30-23)33-12-6-7-32-10-12/h2-5,8,11-12,25H,6-7,9-10H2,1H3,(H,26,31)(H,27,28,29,30)/t11-,12+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348800 (US9790235, Number I-51) Show SMILES COCc1nc(Cl)cc(Nc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)n1 |r| Show InChI InChI=1S/C21H19ClN6O2S/c1-10-8-23-19-18-11-3-6-15(27-16-7-14(22)26-17(28-16)9-30-2)25-12(11)4-5-13(18)31-20(19)21(29)24-10/h3-7,10,23H,8-9H2,1-2H3,(H,24,29)(H,25,26,27,28)/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348802 (US9790235, Number I-53) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5ccnc(Cl)n5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C19H14ClN5O2S/c1-9-8-22-16-15-10-2-5-13(27-14-6-7-21-19(20)25-14)24-11(10)3-4-12(15)28-17(16)18(26)23-9/h2-7,9,22H,8H2,1H3,(H,23,26)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348803 (US9790235, Number I-54) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Sc5cc(F)ncn5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C19H14FN5OS2/c1-9-7-21-17-16-10-2-5-14(28-15-6-13(20)22-8-23-15)25-11(10)3-4-12(16)27-18(17)19(26)24-9/h2-6,8-9,21H,7H2,1H3,(H,24,26)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348805 (US9790235, Number I-56) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5cc(Cl)ncn5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C19H14ClN5O2S/c1-9-7-21-17-16-10-2-5-14(27-15-6-13(20)22-8-23-15)25-11(10)3-4-12(16)28-18(17)19(26)24-9/h2-6,8-9,21H,7H2,1H3,(H,24,26)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348806 (US9790235, Number I-57) Show SMILES COCc1nc(Cl)cc(Oc2ccc3c4c5NC[C@@H](C)NC(=O)c5sc4ccc3n2)n1 |r| Show InChI InChI=1S/C21H18ClN5O3S/c1-10-8-23-19-18-11-3-6-16(30-17-7-14(22)26-15(27-17)9-29-2)25-12(11)4-5-13(18)31-20(19)21(28)24-10/h3-7,10,23H,8-9H2,1-2H3,(H,24,28)/t10-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348807 (US9790235, Number I-58) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Oc5cc(Cl)nc(C)n5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C20H16ClN5O2S/c1-9-8-22-18-17-11-3-6-15(28-16-7-14(21)24-10(2)25-16)26-12(11)4-5-13(17)29-19(18)20(27)23-9/h3-7,9,22H,8H2,1-2H3,(H,23,27)/t9-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM348808 (US9790235, Number I-59) Show SMILES C[C@@H]1CNc2c(sc3ccc4nc(Nc5cc(Cl)nc(OC6CCCN(C)C6)n5)ccc4c23)C(=O)N1 |r| Show InChI InChI=1S/C25H26ClN7O2S/c1-13-11-27-22-21-15-5-8-19(29-16(15)6-7-17(21)36-23(22)24(34)28-13)31-20-10-18(26)30-25(32-20)35-14-4-3-9-33(2)12-14/h5-8,10,13-14,27H,3-4,9,11-12H2,1-2H3,(H,28,34)(H,29,30,31,32)/t13-,14?/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Celgene CAR LLC US Patent					Assay Description Compounds I-1 through I-50 of the invention were assayed in a mass spectrometric assay to measure their ability to covalently modify MK2 protein. The...				US Patent US9790235 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89RS
					More data for this Ligand-Target Pair

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