Compile Data Set for Download or QSAR

Found 3817 hits with Last Name = 'swinger' and Initial = 'kk'   

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
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50365695 (CHEMBL1958408) Show SMILES O=c1cc(cc(NC2CCCCC2)[nH]1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C18H20N4O/c23-17-10-12(15-11-20-18-14(15)7-4-8-19-18)9-16(22-17)21-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,19,20)(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr				ACS Med Chem Lett 4: 211-5 (2013) Article DOI: 10.1021/ml300348c BindingDB Entry DOI: 10.7270/Q2DR2WT6
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50426461 (CHEMBL2322677) Show SMILES Clc1cc(cc(NC2CCCCC2)n1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C18H19ClN4/c19-16-9-12(15-11-21-18-14(15)7-4-8-20-18)10-17(23-16)22-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,20,21)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr				ACS Med Chem Lett 4: 211-5 (2013) Article DOI: 10.1021/ml300348c BindingDB Entry DOI: 10.7270/Q2DR2WT6
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50426464 (CHEMBL2322674) Show SMILES N#Cc1cc(cc(NCc2ccccc2)n1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C20H15N5/c21-11-16-9-15(18-13-24-20-17(18)7-4-8-22-20)10-19(25-16)23-12-14-5-2-1-3-6-14/h1-10,13H,12H2,(H,22,24)(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr				ACS Med Chem Lett 4: 211-5 (2013) Article DOI: 10.1021/ml300348c BindingDB Entry DOI: 10.7270/Q2DR2WT6
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50426467 (CHEMBL2322683) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1cc(cc(F)n1)-c1c[nH]c2ncccc12 |r,wU:4.7,wD:1.0,(71.14,-14.48,;69.8,-15.24,;68.47,-14.47,;67.13,-15.24,;67.14,-16.78,;68.47,-17.55,;69.8,-16.78,;65.81,-17.55,;64.48,-16.78,;63.14,-17.55,;61.8,-16.78,;61.81,-15.24,;63.14,-14.47,;63.13,-12.93,;64.47,-15.23,;60.47,-17.55,;60.31,-19.08,;58.8,-19.4,;58.03,-18.07,;56.53,-17.75,;56.05,-16.3,;57.08,-15.14,;58.59,-15.47,;59.06,-16.93,)| Show InChI InChI=1S/C18H19FN4O/c19-16-8-11(15-10-21-18-14(15)2-1-7-20-18)9-17(23-16)22-12-3-5-13(24)6-4-12/h1-2,7-10,12-13,24H,3-6H2,(H,20,21)(H,22,23)/t12-,13-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr				ACS Med Chem Lett 4: 211-5 (2013) Article DOI: 10.1021/ml300348c BindingDB Entry DOI: 10.7270/Q2DR2WT6
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50426468 (CHEMBL2322682) Show SMILES Fc1cc(cc(NC2CCCCC2)n1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C18H19FN4/c19-16-9-12(15-11-21-18-14(15)7-4-8-20-18)10-17(23-16)22-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,20,21)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr				ACS Med Chem Lett 4: 211-5 (2013) Article DOI: 10.1021/ml300348c BindingDB Entry DOI: 10.7270/Q2DR2WT6
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50426466 (CHEMBL2322684) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(cc(F)n1)-c1c[nH]c2ncccc12 |r,wU:4.7,wD:1.0,(17.72,-27.15,;16.38,-27.92,;15.05,-27.15,;13.71,-27.92,;13.73,-29.45,;15.05,-30.23,;16.38,-29.46,;12.39,-30.23,;11.06,-29.46,;9.72,-30.23,;8.39,-29.46,;8.39,-27.91,;9.72,-27.14,;9.71,-25.6,;11.05,-27.91,;7.05,-30.23,;6.89,-31.76,;5.38,-32.08,;4.61,-30.75,;3.11,-30.43,;2.63,-28.97,;3.67,-27.82,;5.17,-28.14,;5.64,-29.6,)| Show InChI InChI=1S/C18H20FN5/c19-16-8-11(15-10-22-18-14(15)2-1-7-21-18)9-17(24-16)23-13-5-3-12(20)4-6-13/h1-2,7-10,12-13H,3-6,20H2,(H,21,22)(H,23,24)/t12-,13-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr				ACS Med Chem Lett 4: 211-5 (2013) Article DOI: 10.1021/ml300348c BindingDB Entry DOI: 10.7270/Q2DR2WT6
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50426463 (CHEMBL2322675) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1cc(cc(n1)C#N)-c1c[nH]c2ncccc12 |r,wU:4.7,wD:1.0,(19.06,-40.41,;17.72,-41.18,;16.38,-40.41,;15.04,-41.18,;15.06,-42.71,;16.39,-43.49,;17.71,-42.72,;13.73,-43.48,;12.39,-42.72,;11.05,-43.49,;9.72,-42.72,;9.72,-41.17,;11.05,-40.4,;12.39,-41.17,;11.04,-38.87,;11.03,-37.33,;8.39,-43.49,;8.22,-45.02,;6.72,-45.34,;5.94,-44,;4.44,-43.69,;3.97,-42.23,;5,-41.08,;6.5,-41.4,;6.98,-42.86,)| Show InChI InChI=1S/C19H19N5O/c20-10-14-8-12(17-11-22-19-16(17)2-1-7-21-19)9-18(24-14)23-13-3-5-15(25)6-4-13/h1-2,7-9,11,13,15,25H,3-6H2,(H,21,22)(H,23,24)/t13-,15-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr				ACS Med Chem Lett 4: 211-5 (2013) Article DOI: 10.1021/ml300348c BindingDB Entry DOI: 10.7270/Q2DR2WT6
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50426465 (CHEMBL2322673) Show SMILES N#Cc1cc(cc(NC2CCCCC2)n1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C19H19N5/c20-11-15-9-13(17-12-22-19-16(17)7-4-8-21-19)10-18(24-15)23-14-5-2-1-3-6-14/h4,7-10,12,14H,1-3,5-6H2,(H,21,22)(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr				ACS Med Chem Lett 4: 211-5 (2013) Article DOI: 10.1021/ml300348c BindingDB Entry DOI: 10.7270/Q2DR2WT6
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50426472 (CHEMBL2322678) Show SMILES C1CCC(CC1)Nc1cc(ccn1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C18H20N4/c1-2-5-14(6-3-1)22-17-11-13(8-10-19-17)16-12-21-18-15(16)7-4-9-20-18/h4,7-12,14H,1-3,5-6H2,(H,19,22)(H,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr				ACS Med Chem Lett 4: 211-5 (2013) Article DOI: 10.1021/ml300348c BindingDB Entry DOI: 10.7270/Q2DR2WT6
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50426471 (CHEMBL2322679) Show SMILES Cc1cc(cc(NC2CCCCC2)n1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C19H22N4/c1-13-10-14(17-12-21-19-16(17)8-5-9-20-19)11-18(22-13)23-15-6-3-2-4-7-15/h5,8-12,15H,2-4,6-7H2,1H3,(H,20,21)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr				ACS Med Chem Lett 4: 211-5 (2013) Article DOI: 10.1021/ml300348c BindingDB Entry DOI: 10.7270/Q2DR2WT6
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50426470 (CHEMBL2322680) Show SMILES Cc1cc(cc(NCc2ccccc2)n1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C20H18N4/c1-14-10-16(18-13-23-20-17(18)8-5-9-21-20)11-19(24-14)22-12-15-6-3-2-4-7-15/h2-11,13H,12H2,1H3,(H,21,23)(H,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr				ACS Med Chem Lett 4: 211-5 (2013) Article DOI: 10.1021/ml300348c BindingDB Entry DOI: 10.7270/Q2DR2WT6
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50426469 (CHEMBL2322681) Show SMILES Cc1cc(cc(N[C@H]2CC[C@H](O)CC2)n1)-c1c[nH]c2ncccc12 |r,wU:7.6,wD:10.10,(29,-13.79,;29.01,-15.33,;27.68,-16.1,;27.68,-17.64,;29.01,-18.42,;30.35,-17.64,;31.68,-18.41,;33.02,-17.64,;33,-16.1,;34.34,-15.34,;35.67,-16.11,;37.01,-15.34,;35.67,-17.65,;34.34,-18.41,;30.34,-16.09,;26.34,-18.41,;26.18,-19.94,;24.67,-20.27,;23.9,-18.93,;22.4,-18.62,;21.92,-17.16,;22.95,-16.01,;24.46,-16.33,;24.93,-17.79,)| Show InChI InChI=1S/C19H22N4O/c1-12-9-13(17-11-21-19-16(17)3-2-8-20-19)10-18(22-12)23-14-4-6-15(24)7-5-14/h2-3,8-11,14-15,24H,4-7H2,1H3,(H,20,21)(H,22,23)/t14-,15-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr				ACS Med Chem Lett 4: 211-5 (2013) Article DOI: 10.1021/ml300348c BindingDB Entry DOI: 10.7270/Q2DR2WT6
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50426461 (CHEMBL2322677) Show SMILES Clc1cc(cc(NC2CCCCC2)n1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C18H19ClN4/c19-16-9-12(15-11-21-18-14(15)7-4-8-20-18)10-17(23-16)22-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,20,21)(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant GSK3beta				ACS Med Chem Lett 4: 211-5 (2013) Article DOI: 10.1021/ml300348c BindingDB Entry DOI: 10.7270/Q2DR2WT6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50426462 (CHEMBL2322676) Show SMILES NC(=O)c1cc(cc(N[C@H]2CC[C@H](O)CC2)n1)-c1c[nH]c2ncccc12 |r,wU:9.8,wD:12.12,(34.56,-37.23,;33.23,-38,;31.9,-37.24,;33.24,-39.54,;31.91,-40.31,;31.91,-41.86,;33.24,-42.63,;34.58,-41.86,;35.91,-42.62,;37.25,-41.85,;37.23,-40.32,;38.57,-39.55,;39.9,-40.32,;41.24,-39.55,;39.9,-41.86,;38.57,-42.63,;34.57,-40.3,;30.57,-42.62,;30.41,-44.15,;28.9,-44.48,;28.13,-43.14,;26.63,-42.83,;26.15,-41.37,;27.19,-40.22,;28.69,-40.54,;29.16,-42,)| Show InChI InChI=1S/C19H21N5O2/c20-18(26)16-8-11(15-10-22-19-14(15)2-1-7-21-19)9-17(24-16)23-12-3-5-13(25)6-4-12/h1-2,7-10,12-13,25H,3-6H2,(H2,20,26)(H,21,22)(H,23,24)/t12-,13-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr				ACS Med Chem Lett 4: 211-5 (2013) Article DOI: 10.1021/ml300348c BindingDB Entry DOI: 10.7270/Q2DR2WT6
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344200 ((2R)-1-[3-{[6-(4-acetylpiperazin-1-yl)-2-ethoxypyr...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN(C[C@@H](C)OC(C)=O)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C26H33N5O7/c1-5-36-25-20(6-7-22(28-25)30-12-10-29(11-13-30)17(3)32)27-24(34)19-15-37-21-8-9-31(26(35)23(19)21)14-16(2)38-18(4)33/h6-7,15-16H,5,8-14H2,1-4H3,(H,27,34)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344204 ((2R)-2-[3-{[6-(4-acetylpiperazin-1-yl)-2-ethoxypyr...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN([C@H](C)COC(C)=O)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C26H33N5O7/c1-5-36-25-20(6-7-22(28-25)30-12-10-29(11-13-30)17(3)32)27-24(34)19-15-38-21-8-9-31(26(35)23(19)21)16(2)14-37-18(4)33/h6-7,15-16H,5,8-14H2,1-4H3,(H,27,34)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344248 (N-{6-[(3S)-4-acetyl-3-(methoxymethyl)piperazin-1-y...) Show SMILES COC[C@@H]1CN(CCN1C(C)=O)c1ccc(NC(=O)c2coc3CC(C)(C)NC(=O)c23)c(OCC(C)(C)O)n1 Show InChI InChI=1S/C27H37N5O7/c1-16(33)32-10-9-31(12-17(32)13-37-6)21-8-7-19(25(29-21)39-15-27(4,5)36)28-23(34)18-14-38-20-11-26(2,3)30-24(35)22(18)20/h7-8,14,17,36H,9-13,15H2,1-6H3,(H,28,34)(H,30,35)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 8 (Homo sapiens (Human))	BDBM50095355 (CHEMBL3589029) Show SMILES CN(CCN)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C19H22N4O/c1-23(12-11-20)14-16-13-21-22-19(16)15-7-9-18(10-8-15)24-17-5-3-2-4-6-17/h2-10,13H,11-12,14,20H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST tagged full-length human PRMT8 expressed in Escherichia coli (BL21(DE3) pre-incubated for 30 mins before addition of a [...				ACS Med Chem Lett 6: 655-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00071 BindingDB Entry DOI: 10.7270/Q20003V2
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 6 (Homo sapiens (Human))	BDBM50095436 (CHEMBL3589043) Show SMILES CNCCN(C)Cc1n[nH]cc1-c1ccc(Oc2cccc(c2)C(=O)N(C)C)cc1 Show InChI InChI=1S/C23H29N5O2/c1-24-12-13-28(4)16-22-21(15-25-26-22)17-8-10-19(11-9-17)30-20-7-5-6-18(14-20)23(29)27(2)3/h5-11,14-15,24H,12-13,16H2,1-4H3,(H,25,26)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...				ACS Med Chem Lett 6: 655-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00071 BindingDB Entry DOI: 10.7270/Q20003V2
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 6 (Homo sapiens (Human))	BDBM50095355 (CHEMBL3589029) Show SMILES CN(CCN)Cc1cn[nH]c1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C19H22N4O/c1-23(12-11-20)14-16-13-21-22-19(16)15-7-9-18(10-8-15)24-17-5-3-2-4-6-17/h2-10,13H,11-12,14,20H2,1H3,(H,21,22)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...				ACS Med Chem Lett 6: 655-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00071 BindingDB Entry DOI: 10.7270/Q20003V2
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344282 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC(C)(C)N(CCOCCO)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H37N5O7/c1-5-38-25-20(6-7-22(29-25)31-10-8-30(9-11-31)18(2)34)28-24(35)19-17-39-21-16-27(3,4)32(26(36)23(19)21)12-14-37-15-13-33/h6-7,17,33H,5,8-16H2,1-4H3,(H,28,35)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344241 (N-{6-[(2S)-2-(hydroxymethyl)-4-(morpholin-4-ylcarb...) Show SMILES CC(C)Oc1nc(ccc1NC(=O)c1coc2CC(C)(C)NC(=O)c12)N1CCN(C[C@H]1CO)C(=O)N1CCOCC1 Show InChI InChI=1S/C28H38N6O7/c1-17(2)41-26-20(29-24(36)19-16-40-21-13-28(3,4)31-25(37)23(19)21)5-6-22(30-26)34-8-7-33(14-18(34)15-35)27(38)32-9-11-39-12-10-32/h5-6,16-18,35H,7-15H2,1-4H3,(H,29,36)(H,31,37)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344245 (N-{6-[(2R)-4-acetyl-2-(hydroxymethyl)piperazin-1-y...) Show SMILES CC(C)Oc1nc(ccc1NC(=O)c1coc2CC(C)(C)NC(=O)c12)N1CCN(C[C@@H]1CO)C(C)=O Show InChI InChI=1S/C25H33N5O6/c1-14(2)36-24-18(6-7-20(27-24)30-9-8-29(15(3)32)11-16(30)12-31)26-22(33)17-13-35-19-10-25(4,5)28-23(34)21(17)19/h6-7,13-14,16,31H,8-12H2,1-5H3,(H,26,33)(H,28,34)/t16-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344277 (N-[6-(4-acetylpiperazin-1-yl)-2-methoxypyridin-3-y...) Show SMILES COc1nc(ccc1NC(=O)c1coc2COC(C)(C)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C22H26N4O6/c1-13(27)25-7-9-26(10-8-25)17-6-5-15(21(24-17)30-4)23-20(29)14-11-31-16-12-32-22(2,3)19(28)18(14)16/h5-6,11H,7-10,12H2,1-4H3,(H,23,29)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344224 (N-{6-[4-(N′-cyano-N-methylcarbamimidoyl)pipe...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC3(CCC3)NC(=O)c12)N1CCN(CC1)C(NC)=NC#N |w:34.39| Show InChI InChI=1S/C25H30N8O4/c1-3-36-23-17(5-6-19(30-23)32-9-11-33(12-10-32)24(27-2)28-15-26)29-21(34)16-14-37-18-13-25(7-4-8-25)31-22(35)20(16)18/h5-6,14H,3-4,7-13H2,1-2H3,(H,27,28)(H,29,34)(H,31,35)	PDB MMDB 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	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 6 (Homo sapiens (Human))	BDBM50095438 (CHEMBL3589042) Show SMILES CNCCN(C)Cc1c[nH]nc1-c1ccc(Oc2cccc(c2)C(=O)N(C)C)cc1 Show InChI InChI=1S/C23H29N5O2/c1-24-12-13-28(4)16-19-15-25-26-22(19)17-8-10-20(11-9-17)30-21-7-5-6-18(14-21)23(29)27(2)3/h5-11,14-15,24H,12-13,16H2,1-4H3,(H,25,26)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...				ACS Med Chem Lett 6: 655-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00071 BindingDB Entry DOI: 10.7270/Q20003V2
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344222 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC3(CCC3)N(CCO)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C26H33N5O6/c1-3-36-24-19(5-6-21(28-24)30-11-9-29(10-12-30)17(2)33)27-23(34)18-16-37-20-15-26(7-4-8-26)31(13-14-32)25(35)22(18)20/h5-6,16,32H,3-4,7-15H2,1-2H3,(H,27,34)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344205 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN([C@H](C)CO)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H31N5O6/c1-4-34-23-18(5-6-20(26-23)28-11-9-27(10-12-28)16(3)31)25-22(32)17-14-35-19-7-8-29(15(2)13-30)24(33)21(17)19/h5-6,14-15,30H,4,7-13H2,1-3H3,(H,25,32)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344239 (N-{6-[(3S)-4-acetyl-3-(hydroxymethyl)piperazin-1-y...) Show SMILES CC(C)Oc1nc(ccc1NC(=O)c1coc2CC(C)(C)NC(=O)c12)N1CCN([C@H](CO)C1)C(C)=O Show InChI InChI=1S/C25H33N5O6/c1-14(2)36-24-18(6-7-20(27-24)29-8-9-30(15(3)32)16(11-29)12-31)26-22(33)17-13-35-19-10-25(4,5)28-23(34)21(17)19/h6-7,13-14,16,31H,8-12H2,1-5H3,(H,26,33)(H,28,34)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344290 (N-[6-(1-acetylpiperidin-4-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC(C)(C)NC(=O)c12)C1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H30N4O5/c1-5-32-23-18(7-6-17(26-23)15-8-10-28(11-9-15)14(2)29)25-21(30)16-13-33-19-12-24(3,4)27-22(31)20(16)19/h6-7,13,15H,5,8-12H2,1-4H3,(H,25,30)(H,27,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344279 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC(C)(C)N(C)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H31N5O5/c1-6-33-22-17(7-8-19(26-22)29-11-9-28(10-12-29)15(2)30)25-21(31)16-14-34-18-13-24(3,4)27(5)23(32)20(16)18/h7-8,14H,6,9-13H2,1-5H3,(H,25,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344240 (N-{6-[(2S)-4-acetyl-2-(hydroxymethyl)piperazin-1-y...) Show SMILES CC(C)Oc1nc(ccc1NC(=O)c1coc2CC(C)(C)NC(=O)c12)N1CCN(C[C@H]1CO)C(C)=O Show InChI InChI=1S/C25H33N5O6/c1-14(2)36-24-18(6-7-20(27-24)30-9-8-29(15(3)32)11-16(30)12-31)26-22(33)17-13-35-19-10-25(4,5)28-23(34)21(17)19/h6-7,13-14,16,31H,8-12H2,1-5H3,(H,26,33)(H,28,34)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344217 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC3(CCC3)NC(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H29N5O5/c1-3-33-23-17(5-6-19(26-23)29-11-9-28(10-12-29)15(2)30)25-21(31)16-14-34-18-13-24(7-4-8-24)27-22(32)20(16)18/h5-6,14H,3-4,7-13H2,1-2H3,(H,25,31)(H,27,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50095354 (CHEMBL3589030) Show SMILES CC(C)Oc1ccc(cc1Cl)-c1[nH]ncc1CN(C)CCN Show InChI InChI=1S/C16H23ClN4O/c1-11(2)22-15-5-4-12(8-14(15)17)16-13(9-19-20-16)10-21(3)7-6-18/h4-5,8-9,11H,6-7,10,18H2,1-3H3,(H,19,20)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST tagged full-length human PRMT1 expressed in high five insect cells pre-incubated for 30 mins before addition of a [3H]SA...				ACS Med Chem Lett 6: 655-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00071 BindingDB Entry DOI: 10.7270/Q20003V2
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50095432 (CHEMBL3589026) Show SMILES CC(C)Oc1ccc(cc1)-c1[nH]ncc1CN(C)CCN Show InChI InChI=1S/C16H24N4O/c1-12(2)21-15-6-4-13(5-7-15)16-14(10-18-19-16)11-20(3)9-8-17/h4-7,10,12H,8-9,11,17H2,1-3H3,(H,18,19)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST tagged full-length human PRMT1 expressed in high five insect cells pre-incubated for 30 mins before addition of a [3H]SA...				ACS Med Chem Lett 6: 655-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00071 BindingDB Entry DOI: 10.7270/Q20003V2
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344264 (N-[4-(4-acetylpiperazin-1-yl)-2-methoxyphenyl]-6,6...) Show SMILES COc1cc(ccc1NC(=O)c1coc2CC(C)(C)CC(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H29N3O5/c1-15(28)26-7-9-27(10-8-26)16-5-6-18(20(11-16)31-4)25-23(30)17-14-32-21-13-24(2,3)12-19(29)22(17)21/h5-6,11,14H,7-10,12-13H2,1-4H3,(H,25,30)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344201 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN(C[C@@H](C)O)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H31N5O6/c1-4-34-23-18(5-6-20(26-23)28-11-9-27(10-12-28)16(3)31)25-22(32)17-14-35-19-7-8-29(13-15(2)30)24(33)21(17)19/h5-6,14-15,30H,4,7-13H2,1-3H3,(H,25,32)/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50315895 (CHEMBL1090357 | N-(3-(5-(2-(4-(2-(dimethylamino)et...) Show SMILES CN(C)CCc1ccc(Nc2nccc(n2)-c2c(nc3sccn23)-c2cccc(NC(=O)c3c(F)cccc3F)c2)cc1 Show InChI InChI=1S/C32H27F2N7OS/c1-40(2)16-14-20-9-11-22(12-10-20)37-31-35-15-13-26(38-31)29-28(39-32-41(29)17-18-43-32)21-5-3-6-23(19-21)36-30(42)27-24(33)7-4-8-25(27)34/h3-13,15,17-19H,14,16H2,1-2H3,(H,36,42)(H,35,37,38)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of ErbB2 by time resolved fluorescence assay				Bioorg Med Chem Lett 20: 2452-5 (2010) Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344281 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC(C)(C)N(CCOC)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C26H35N5O6/c1-6-36-24-19(7-8-21(28-24)30-11-9-29(10-12-30)17(2)32)27-23(33)18-16-37-20-15-26(3,4)31(13-14-35-5)25(34)22(18)20/h7-8,16H,6,9-15H2,1-5H3,(H,27,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344195 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN(CCCO)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H31N5O6/c1-3-34-23-18(5-6-20(26-23)28-12-10-27(11-13-28)16(2)31)25-22(32)17-15-35-19-7-9-29(8-4-14-30)24(33)21(17)19/h5-6,15,30H,3-4,7-14H2,1-2H3,(H,25,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344196 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN(CCCCO)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C25H33N5O6/c1-3-35-24-19(6-7-21(27-24)29-13-11-28(12-14-29)17(2)32)26-23(33)18-16-36-20-8-10-30(9-4-5-15-31)25(34)22(18)20/h6-7,16,31H,3-5,8-15H2,1-2H3,(H,26,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344289 (N-{6-(4-acetylpiperazin-1-yl)-2-[(1-oxidothietan-3...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(NC(=O)c2coc3CC(C)(C)NC(=O)c23)c(OC2CS(=O)C2)n1 Show InChI InChI=1S/C24H29N5O6S/c1-14(30)28-6-8-29(9-7-28)19-5-4-17(23(26-19)35-15-12-36(33)13-15)25-21(31)16-11-34-18-10-24(2,3)27-22(32)20(16)18/h4-5,11,15H,6-10,12-13H2,1-3H3,(H,25,31)(H,27,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344203 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN(C[C@H](C)O)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H31N5O6/c1-4-34-23-18(5-6-20(26-23)28-11-9-27(10-12-28)16(3)31)25-22(32)17-14-35-19-7-8-29(13-15(2)30)24(33)21(17)19/h5-6,14-15,30H,4,7-13H2,1-3H3,(H,25,32)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM50315905 (CHEMBL1090350 | N-(3-(5-(2-(4-morpholinophenylamin...) Show SMILES O=C(Nc1cccc(c1)-c1nc2sccn2c1-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)c1ccccc1 Show InChI InChI=1S/C32H27N7O2S/c40-30(22-5-2-1-3-6-22)34-25-8-4-7-23(21-25)28-29(39-17-20-42-32(39)37-28)27-13-14-33-31(36-27)35-24-9-11-26(12-10-24)38-15-18-41-19-16-38/h1-14,17,20-21H,15-16,18-19H2,(H,34,40)(H,33,35,36)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of ErbB2 by time resolved fluorescence assay				Bioorg Med Chem Lett 20: 2452-5 (2010) Article DOI: 10.1016/j.bmcl.2010.03.015 BindingDB Entry DOI: 10.7270/Q2M908VT
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344285 (N-[6-(4-acetylpiperazin-1-yl)-2-(oxetan-3-yloxy)py...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(NC(=O)c2coc3CC(C)(C)NC(=O)c23)c(OC2COC2)n1 Show InChI InChI=1S/C24H29N5O6/c1-14(30)28-6-8-29(9-7-28)19-5-4-17(23(26-19)35-15-11-33-12-15)25-21(31)16-13-34-18-10-24(2,3)27-22(32)20(16)18/h4-5,13,15H,6-12H2,1-3H3,(H,25,31)(H,27,32)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50095353 (CHEMBL3589031) Show SMILES CNCCN(C)Cc1cn[nH]c1-c1ccc(OC(C)C)c(Cl)c1 Show InChI InChI=1S/C17H25ClN4O/c1-12(2)23-16-6-5-13(9-15(16)18)17-14(10-20-21-17)11-22(4)8-7-19-3/h5-6,9-10,12,19H,7-8,11H2,1-4H3,(H,20,21)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST tagged full-length human PRMT1 expressed in high five insect cells pre-incubated for 30 mins before addition of a [3H]SA...				ACS Med Chem Lett 6: 655-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00071 BindingDB Entry DOI: 10.7270/Q20003V2
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 1 [11-371] (Homo sapiens (Human))	BDBM50095356 (CHEMBL3589028) Show SMILES CC(C)Cc1ccc(cc1)-c1[nH]ncc1CN(C)CCN Show InChI InChI=1S/C17H26N4/c1-13(2)10-14-4-6-15(7-5-14)17-16(11-19-20-17)12-21(3)9-8-18/h4-7,11,13H,8-10,12,18H2,1-3H3,(H,19,20)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal GST tagged full-length human PRMT1 expressed in high five insect cells pre-incubated for 30 mins before addition of a [3H]SA...				ACS Med Chem Lett 6: 655-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00071 BindingDB Entry DOI: 10.7270/Q20003V2
					More data for this Ligand-Target Pair
Protein arginine N-methyltransferase 6 (Homo sapiens (Human))	BDBM50095435 (CHEMBL3590417) Show SMILES CNCCN(C)Cc1n[nH]cc1-c1ccc(Oc2ccccc2C(=O)NC)cc1 Show InChI InChI=1S/C22H27N5O2/c1-23-12-13-27(3)15-20-19(14-25-26-20)16-8-10-17(11-9-16)29-21-7-5-4-6-18(21)22(28)24-2/h4-11,14,23H,12-13,15H2,1-3H3,(H,24,28)(H,25,26)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. Curated by ChEMBL					Assay Description Inhibition of FLAG and hexa-histidine tagged full-length human PRMT6 expressed in HEK293F cells pre-incubated for 30 mins before addition of a [3H]SA...				ACS Med Chem Lett 6: 655-9 (2015) Article DOI: 10.1021/acsmedchemlett.5b00071 BindingDB Entry DOI: 10.7270/Q20003V2
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344115 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CCN(CCO)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C23H29N5O6/c1-3-33-22-17(4-5-19(25-22)27-10-8-26(9-11-27)15(2)30)24-21(31)16-14-34-18-6-7-28(12-13-29)23(32)20(16)18/h4-5,14,29H,3,6-13H2,1-2H3,(H,24,31)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM344280 (N-[6-(4-acetylpiperazin-1-yl)-2-ethoxypyridin-3-yl...) Show SMILES CCOc1nc(ccc1NC(=O)c1coc2CC(C)(C)N(CCO)C(=O)c12)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C25H33N5O6/c1-5-35-23-18(6-7-20(27-23)29-10-8-28(9-11-29)16(2)32)26-22(33)17-15-36-19-14-25(3,4)30(12-13-31)24(34)21(17)19/h6-7,15,31H,5,8-14H2,1-4H3,(H,26,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. US Patent									US Patent US9777020 (2017) BindingDB Entry DOI: 10.7270/Q2T155R7
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 3817 total )  |  Next  |  Last  >>

Jump to: