Compile Data Set for Download or QSAR

Found 1150 hits with Last Name = 'england' and Initial = 's'   

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
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50513345 (CHEMBL4438830) Show SMILES CN(C)CCc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C27H33N7O/c1-32(2)12-7-20-4-3-5-23(16-20)22-9-14-33(15-10-22)13-8-21-17-31-34(18-21)26-25-24(6-11-28-26)27(35)30-19-29-25/h3-6,11,16-19,22H,7-10,12-15H2,1-2H3,(H,29,30,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM5B (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041 BindingDB Entry DOI: 10.7270/Q25B05TF
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50513361 (CHEMBL4567766) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(c2)-c2cccnc2)cn1 Show InChI InChI=1S/C28H27N7O/c36-28-25-6-11-30-27(26(25)31-19-32-28)35-18-20(16-33-35)7-12-34-13-8-21(9-14-34)22-3-1-4-23(15-22)24-5-2-10-29-17-24/h1-6,10-11,15-19,21H,7-9,12-14H2,(H,31,32,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM5B (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041 BindingDB Entry DOI: 10.7270/Q25B05TF
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50513360 (CHEMBL4573390) Show SMILES CC1(CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C24H25ClN6O/c1-24(18-3-2-4-19(25)13-18)7-11-30(12-8-24)10-6-17-14-29-31(15-17)22-21-20(5-9-26-22)23(32)28-16-27-21/h2-5,9,13-16H,6-8,10-12H2,1H3,(H,27,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM5B (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041 BindingDB Entry DOI: 10.7270/Q25B05TF
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50513345 (CHEMBL4438830) Show SMILES CN(C)CCc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C27H33N7O/c1-32(2)12-7-20-4-3-5-23(16-20)22-9-14-33(15-10-22)13-8-21-17-31-34(18-21)26-25-24(6-11-28-26)27(35)30-19-29-25/h3-6,11,16-19,22H,7-10,12-15H2,1-2H3,(H,29,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM4A (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041 BindingDB Entry DOI: 10.7270/Q25B05TF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50151923 (CHEMBL3774537) Show SMILES Clc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C23H23ClN6O/c24-19-3-1-2-18(12-19)17-6-10-29(11-7-17)9-5-16-13-28-30(14-16)22-21-20(4-8-25-22)23(31)27-15-26-21/h1-4,8,12-15,17H,5-7,9-11H2,(H,26,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM5B (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041 BindingDB Entry DOI: 10.7270/Q25B05TF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50513344 (CHEMBL4447515) Show SMILES Fc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C23H23FN6O/c24-19-3-1-2-18(12-19)17-6-10-29(11-7-17)9-5-16-13-28-30(14-16)22-21-20(4-8-25-22)23(31)27-15-26-21/h1-4,8,12-15,17H,5-7,9-11H2,(H,26,27,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM5B (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041 BindingDB Entry DOI: 10.7270/Q25B05TF
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50151923 (CHEMBL3774537) Show SMILES Clc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C23H23ClN6O/c24-19-3-1-2-18(12-19)17-6-10-29(11-7-17)9-5-16-13-28-30(14-16)22-21-20(4-8-25-22)23(31)27-15-26-21/h1-4,8,12-15,17H,5-7,9-11H2,(H,26,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM4A (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041 BindingDB Entry DOI: 10.7270/Q25B05TF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 1 (RAT)	BDBM50278288 (2-(2-(4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4...) Show SMILES OCCOCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1 Show InChI InChI=1S/C20H23N5O2/c26-6-8-27-7-5-21-19-11-17-18(12-22-19)23-13-24-20(17)25-16-9-14-3-1-2-4-15(14)10-16/h1-4,11-13,16,26H,5-10H2,(H,21,22)(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50513361 (CHEMBL4567766) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC(CC2)c2cccc(c2)-c2cccnc2)cn1 Show InChI InChI=1S/C28H27N7O/c36-28-25-6-11-30-27(26(25)31-19-32-28)35-18-20(16-33-35)7-12-34-13-8-21(9-14-34)22-3-1-4-23(15-22)24-5-2-10-29-17-24/h1-6,10-11,15-19,21H,7-9,12-14H2,(H,31,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM4A (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041 BindingDB Entry DOI: 10.7270/Q25B05TF
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50513348 (CHEMBL4585876) Show SMILES CN(C)CCc1ccc(cc1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C27H33N7O/c1-32(2)13-8-20-3-5-22(6-4-20)23-10-15-33(16-11-23)14-9-21-17-31-34(18-21)26-25-24(7-12-28-26)27(35)30-19-29-25/h3-7,12,17-19,23H,8-11,13-16H2,1-2H3,(H,29,30,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM5B (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041 BindingDB Entry DOI: 10.7270/Q25B05TF
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50513344 (CHEMBL4447515) Show SMILES Fc1cccc(c1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C23H23FN6O/c24-19-3-1-2-18(12-19)17-6-10-29(11-7-17)9-5-16-13-28-30(14-16)22-21-20(4-8-25-22)23(31)27-15-26-21/h1-4,8,12-15,17H,5-7,9-11H2,(H,26,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM4A (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041 BindingDB Entry DOI: 10.7270/Q25B05TF
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50513348 (CHEMBL4585876) Show SMILES CN(C)CCc1ccc(cc1)C1CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1 Show InChI InChI=1S/C27H33N7O/c1-32(2)13-8-20-3-5-22(6-4-20)23-10-15-33(16-11-23)14-9-21-17-31-34(18-21)26-25-24(7-12-28-26)27(35)30-19-29-25/h3-7,12,17-19,23H,8-11,13-16H2,1-2H3,(H,29,30,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM4A (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041 BindingDB Entry DOI: 10.7270/Q25B05TF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50513343 (CHEMBL4449500) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC3(CCc4ccccc34)CC2)cn1 Show InChI InChI=1S/C25H26N6O/c32-24-20-6-11-26-23(22(20)27-17-28-24)31-16-18(15-29-31)7-12-30-13-9-25(10-14-30)8-5-19-3-1-2-4-21(19)25/h1-4,6,11,15-17H,5,7-10,12-14H2,(H,27,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM4A (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041 BindingDB Entry DOI: 10.7270/Q25B05TF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50513360 (CHEMBL4573390) Show SMILES CC1(CCN(CCc2cnn(c2)-c2nccc3c2nc[nH]c3=O)CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C24H25ClN6O/c1-24(18-3-2-4-19(25)13-18)7-11-30(12-8-24)10-6-17-14-29-31(15-17)22-21-20(5-9-26-22)23(32)28-16-27-21/h2-5,9,13-16H,6-8,10-12H2,1H3,(H,27,28,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM4A (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041 BindingDB Entry DOI: 10.7270/Q25B05TF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 1 (RAT)	BDBM50278286 (CHEMBL511266 | N4-(2,3-dihydro-1H-inden-2-yl)-N6-(...) Show SMILES COCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1 Show InChI InChI=1S/C19H21N5O/c1-25-7-6-20-18-10-16-17(11-21-18)22-12-23-19(16)24-15-8-13-4-2-3-5-14(13)9-15/h2-5,10-12,15H,6-9H2,1H3,(H,20,21)(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50278407 (CHEMBL470396 | N-cycloheptyl-6-(2-morpholinoethoxy...) Show SMILES C(CN1CCOCC1)Oc1cc2c(NC3CCCCCC3)ncnc2cn1 Show InChI InChI=1S/C20H29N5O2/c1-2-4-6-16(5-3-1)24-20-17-13-19(21-14-18(17)22-15-23-20)27-12-9-25-7-10-26-11-8-25/h13-16H,1-12H2,(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50513343 (CHEMBL4449500) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(CCN2CCC3(CCc4ccccc34)CC2)cn1 Show InChI InChI=1S/C25H26N6O/c32-24-20-6-11-26-23(22(20)27-17-28-24)31-16-18(15-29-31)7-12-30-13-9-25(10-14-30)8-5-19-3-1-2-4-21(19)25/h1-4,6,11,15-17H,5,7-10,12-14H2,(H,27,28,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM5B (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041 BindingDB Entry DOI: 10.7270/Q25B05TF
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50278361 (CHEMBL471435 | N4-cyclohexyl-N6-(2-morpholinoethyl...) Show SMILES C(CN1CCOCC1)Nc1cc2c(NC3CCCCC3)ncnc2cn1 Show InChI InChI=1S/C19H28N6O/c1-2-4-15(5-3-1)24-19-16-12-18(21-13-17(16)22-14-23-19)20-6-7-25-8-10-26-11-9-25/h12-15H,1-11H2,(H,20,21)(H,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50278289 (CHEMBL469383 | N4-cyclohexyl-N6-(2-methoxyethyl)py...) Show SMILES COCCNc1cc2c(NC3CCCCC3)ncnc2cn1 Show InChI InChI=1S/C16H23N5O/c1-22-8-7-17-15-9-13-14(10-18-15)19-11-20-16(13)21-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3,(H,17,18)(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50278112 (CHEMBL472490 | N4-(2,3-dihydro-1H-inden-2-yl)-N6-m...) Show SMILES CNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1 Show InChI InChI=1S/C17H17N5/c1-18-16-8-14-15(9-19-16)20-10-21-17(14)22-13-6-11-4-2-3-5-12(11)7-13/h2-5,8-10,13H,6-7H2,1H3,(H,18,19)(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Lysine-specific demethylase 5B (Homo sapiens (Human))	BDBM50513346 (CHEMBL4525269) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(cn1)C1CCN(CC2CCC2)CC1 Show InChI InChI=1S/C20H24N6O/c27-20-17-4-7-21-19(18(17)22-13-23-20)26-12-16(10-24-26)15-5-8-25(9-6-15)11-14-2-1-3-14/h4,7,10,12-15H,1-3,5-6,8-9,11H2,(H,22,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM5B (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041 BindingDB Entry DOI: 10.7270/Q25B05TF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Metabotropic glutamate receptor 1 (RAT)	BDBM50278358 (1-(2-(4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-...) Show SMILES O=C1CCCN1CCOc1cc2c(NC3CCCCC3)ncnc2cn1 Show InChI InChI=1S/C19H25N5O2/c25-18-7-4-8-24(18)9-10-26-17-11-15-16(12-20-17)21-13-22-19(15)23-14-5-2-1-3-6-14/h11-14H,1-10H2,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50278232 (2-(4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4-d]...) Show SMILES OCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1 Show InChI InChI=1S/C18H19N5O/c24-6-5-19-17-9-15-16(10-20-17)21-11-22-18(15)23-14-7-12-3-1-2-4-13(12)8-14/h1-4,9-11,14,24H,5-8H2,(H,19,20)(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50513346 (CHEMBL4525269) Show SMILES O=c1[nH]cnc2c(nccc12)-n1cc(cn1)C1CCN(CC2CCC2)CC1 Show InChI InChI=1S/C20H24N6O/c27-20-17-4-7-21-19(18(17)22-13-23-20)26-12-16(10-24-26)15-5-8-25(9-6-15)11-14-2-1-3-14/h4,7,10,12-15H,1-3,5-6,8-9,11H2,(H,22,23,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Binding affinity to KDM4A (unknown origin)				Eur J Med Chem 177: 316-337 (2019) Article DOI: 10.1016/j.ejmech.2019.05.041 BindingDB Entry DOI: 10.7270/Q25B05TF
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50278114 (CHEMBL513012 | N-cyclohexylquinazolin-4-amine) Show SMILES C1CCC(CC1)Nc1ncnc2ccccc12 Show InChI InChI=1S/C14H17N3/c1-2-6-11(7-3-1)17-14-12-8-4-5-9-13(12)15-10-16-14/h4-5,8-11H,1-3,6-7H2,(H,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50278231 (CHEMBL513018 | N4,N6-bis(2,3-dihydro-1H-inden-2-yl...) Show SMILES C1C(Cc2ccccc12)Nc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1 Show InChI InChI=1S/C25H23N5/c1-2-6-17-10-20(9-16(17)5-1)29-24-13-22-23(14-26-24)27-15-28-25(22)30-21-11-18-7-3-4-8-19(18)12-21/h1-8,13-15,20-21H,9-12H2,(H,26,29)(H,27,28,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50278357 (3-(4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-ylo...) Show SMILES OCCCOc1cc2c(NC3CCCCC3)ncnc2cn1 Show InChI InChI=1S/C16H22N4O2/c21-7-4-8-22-15-9-13-14(10-17-15)18-11-19-16(13)20-12-5-2-1-3-6-12/h9-12,21H,1-8H2,(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50278153 (CHEMBL471242 | N-(2,3-dihydro-1H-inden-2-yl)quinaz...) Show SMILES C1C(Cc2ccccc12)Nc1ncnc2ccccc12 Show InChI InChI=1S/C17H15N3/c1-2-6-13-10-14(9-12(13)5-1)20-17-15-7-3-4-8-16(15)18-11-19-17/h1-8,11,14H,9-10H2,(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50346870 (CHEMBL1797647) Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](-[#8])=O |r| Show InChI InChI=1S/C93H169N35O28S/c1-45(2)41-62(83(148)113-49(6)90(155)156)123-79(144)59(28-30-65(98)133)119-75(140)54(22-12-15-34-95)117-77(142)57(25-18-37-107-92(102)103)121-85(150)64-27-20-39-128(64)89(154)48(5)112-74(139)53(21-11-14-33-94)114-68(136)43-109-67(135)42-110-86(151)69(50(7)130)125-84(149)63(44-129)124-78(143)55(23-13-16-35-96)118-76(141)56(24-17-36-106-91(100)101)116-73(138)47(4)111-87(152)70(51(8)131)126-82(147)60(29-31-66(99)134)120-80(145)61(32-40-157-10)122-88(153)71(52(9)132)127-81(146)58(115-72(137)46(3)97)26-19-38-108-93(104)105/h45-64,69-71,129-132H,11-44,94-97H2,1-10H3,(H2,98,133)(H2,99,134)(H,109,135)(H,110,151)(H,111,152)(H,112,139)(H,113,148)(H,114,136)(H,115,137)(H,116,138)(H,117,142)(H,118,141)(H,119,140)(H,120,145)(H,121,150)(H,122,153)(H,123,144)(H,124,143)(H,125,149)(H,126,147)(H,127,146)(H,155,156)(H4,100,101,106)(H4,102,103,107)(H4,104,105,108)/t46-,47-,48-,49-,50+,51+,52+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human recombinant KDM1A expressed in Escherichia coli using H3K4me as substrate by peroxidase coupled enzyme assay				J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50278362 (CHEMBL512523 | N-cyclohexyl-6-(2-morpholinoethoxy)...) Show SMILES C(CN1CCOCC1)Oc1cc2c(NC3CCCCC3)ncnc2cn1 Show InChI InChI=1S/C19H27N5O2/c1-2-4-15(5-3-1)23-19-16-12-18(20-13-17(16)21-14-22-19)26-11-8-24-6-9-25-10-7-24/h12-15H,1-11H2,(H,21,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50278111 (CHEMBL472489 | N4-(2,3-dihydro-1H-inden-2-yl)-N4,N...) Show SMILES CNc1cc2c(ncnc2cn1)N(C)C1Cc2ccccc2C1 Show InChI InChI=1S/C18H19N5/c1-19-17-9-15-16(10-20-17)21-11-22-18(15)23(2)14-7-12-5-3-4-6-13(12)8-14/h3-6,9-11,14H,7-8H2,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM113742 (N-[4-(2-Hydrazinylethyl)phenyl]-4-phenylbutanamide...) Show SMILES NNCCc1ccc(NC(=O)CCCc2ccccc2)cc1 Show InChI InChI=1S/C18H23N3O/c19-20-14-13-16-9-11-17(12-10-16)21-18(22)8-4-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,20H,4,7-8,13-14,19H2,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of GST-tagged KDM1A (unknown origin) expressed in Escherichia coli BL21-CodonPlus-(DE3)-RIPL cells using dimethyl-Lys-4 H3-21 as substrate...				J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50278291 (CHEMBL471666 | N-cyclohexyl-6-(2-methoxyethoxy)pyr...) Show SMILES COCCOc1cc2c(NC3CCCCC3)ncnc2cn1 Show InChI InChI=1S/C16H22N4O2/c1-21-7-8-22-15-9-13-14(10-17-15)18-11-19-16(13)20-12-5-3-2-4-6-12/h9-12H,2-8H2,1H3,(H,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	101	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50278287 (CHEMBL469381 | N4-(2,3-dihydro-1H-inden-2-yl)-N6-(...) Show SMILES CN(C)CCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1 Show InChI InChI=1S/C20H24N6/c1-26(2)8-7-21-19-11-17-18(12-22-19)23-13-24-20(17)25-16-9-14-5-3-4-6-15(14)10-16/h3-6,11-13,16H,7-10H2,1-2H3,(H,21,22)(H,23,24,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	102	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50278113 (CHEMBL513761 | N-(2,3-dihydro-1H-inden-2-yl)-6-met...) Show SMILES COc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1 Show InChI InChI=1S/C17H16N4O/c1-22-16-8-14-15(9-18-16)19-10-20-17(14)21-13-6-11-4-2-3-5-12(11)7-13/h2-5,8-10,13H,6-7H2,1H3,(H,19,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50278229 (2-(6-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4-d]...) Show SMILES OCCNc1ncnc2cnc(NC3Cc4ccccc4C3)cc12 Show InChI InChI=1S/C18H19N5O/c24-6-5-19-18-15-9-17(20-10-16(15)21-11-22-18)23-14-7-12-3-1-2-4-13(12)8-14/h1-4,9-11,14,24H,5-8H2,(H,20,23)(H,19,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	125	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50158884 (CHEMBL3785550) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(N)=O |r| Show InChI InChI=1S/C51H87N17O10/c1-29(2)26-36(46(75)67-40(30(3)4)48(77)62-34(19-12-24-60-51(56)57)43(72)63-35(16-8-9-21-52)49(78)68-25-13-20-39(68)41(53)70)64-45(74)37(27-31-14-6-5-7-15-31)65-47(76)38(28-69)66-44(73)33(18-11-23-59-50(54)55)61-42(71)32-17-10-22-58-32/h5-7,14-15,29-30,32-40,58,69H,8-13,16-28,52H2,1-4H3,(H2,53,70)(H,61,71)(H,62,77)(H,63,72)(H,64,74)(H,65,76)(H,66,73)(H,67,75)(H4,54,55,59)(H4,56,57,60)/t32-,33-,34-,35-,36-,37-,38-,39-,40-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged KDM1A (171 to 836 residues) using H3K4me2 as substrate by peroxidase coupled enzyme assay				J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50278228 (CHEMBL447113 | N6-(2,3-dihydro-1H-inden-2-yl)-N4-m...) Show SMILES CNc1ncnc2cnc(NC3Cc4ccccc4C3)cc12 Show InChI InChI=1S/C17H17N5/c1-18-17-14-8-16(19-9-15(14)20-10-21-17)22-13-6-11-4-2-3-5-12(11)7-13/h2-5,8-10,13H,6-7H2,1H3,(H,19,22)(H,18,20,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50278290 (2-(4-(cyclohexylamino)pyrido[3,4-d]pyrimidin-6-ylo...) Show SMILES OCCOc1cc2c(NC3CCCCC3)ncnc2cn1 Show InChI InChI=1S/C15H20N4O2/c20-6-7-21-14-8-12-13(9-16-14)17-10-18-15(12)19-11-4-2-1-3-5-11/h8-11,20H,1-7H2,(H,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	177	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50278853 (CHEMBL496897 | N4-(2,3-dihydro-1H-inden-2-yl)-N6,N...) Show SMILES CN(C)c1cc2c(NC3Cc4ccccc4C3)ncnc2cn1 Show InChI InChI=1S/C18H19N5/c1-23(2)17-9-15-16(10-19-17)20-11-21-18(15)22-14-7-12-5-3-4-6-13(12)8-14/h3-6,9-11,14H,7-8H2,1-2H3,(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	185	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50278850 (CHEMBL497918 | N4-cyclohexyl-N6,N6-dimethylpyrido[...) Show SMILES CN(C)c1cc2c(NC3CCCCC3)ncnc2cn1 Show InChI InChI=1S/C15H21N5/c1-20(2)14-8-12-13(9-16-14)17-10-18-15(12)19-11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,17,18,19)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	199	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50278360 (CHEMBL471434 | N6-(3-aminopropyl)-N4-cyclohexylpyr...) Show SMILES NCCCNc1cc2c(NC3CCCCC3)ncnc2cn1 Show InChI InChI=1S/C16H24N6/c17-7-4-8-18-15-9-13-14(10-19-15)20-11-21-16(13)22-12-5-2-1-3-6-12/h9-12H,1-8,17H2,(H,18,19)(H,20,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50158882 (CHEMBL3786209) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(O)=O |r| Show InChI InChI=1S/C105H168N34O30/c1-54(2)45-66(127-87(153)67(46-56-19-6-5-7-20-56)129-93(159)73(52-141)133-86(152)61(25-14-40-119-104(113)114)121-83(149)59-23-12-38-117-59)91(157)136-82(55(3)4)98(164)123-62(26-15-41-120-105(115)116)85(151)125-64(22-9-11-37-107)100(166)138-43-17-29-77(138)97(163)135-74(53-142)94(160)132-71(50-81(147)148)101(167)139-44-18-28-76(139)96(162)130-69(48-79(109)145)89(155)122-60(24-13-39-118-103(111)112)84(150)124-63(21-8-10-36-106)99(165)137-42-16-27-75(137)95(161)131-70(49-80(110)146)90(156)128-68(47-57-30-32-58(143)33-31-57)88(154)134-72(51-140)92(158)126-65(102(168)169)34-35-78(108)144/h5-7,19-20,30-33,54-55,59-77,82,117,140-143H,8-18,21-29,34-53,106-107H2,1-4H3,(H2,108,144)(H2,109,145)(H2,110,146)(H,121,149)(H,122,155)(H,123,164)(H,124,150)(H,125,151)(H,126,158)(H,127,153)(H,128,156)(H,129,159)(H,130,162)(H,131,161)(H,132,160)(H,133,152)(H,134,154)(H,135,163)(H,136,157)(H,147,148)(H,168,169)(H4,111,112,118)(H4,113,114,119)(H4,115,116,120)/t59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,82-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged KDM1A (171 to 836 residues) using H3K4me2 as substrate by peroxidase coupled enzyme assay				J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50158883 (CHEMBL3785964) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C106H182N36O25/c1-56(2)49-72(133-92(157)73(50-61-25-11-10-12-26-61)125-79(148)52-124-85(150)66(32-21-45-121-104(113)114)127-86(151)65-31-20-43-119-65)94(159)139-81(58(5)6)100(165)132-69(29-15-18-42-109)88(153)129-70(33-22-46-122-105(115)116)90(155)135-75(53-143)95(160)131-67(27-13-16-40-107)87(152)128-68(28-14-17-41-108)89(154)136-77(55-145)97(162)141-83(60(9)146)102(167)142-48-24-35-78(142)98(163)140-82(59(7)8)101(166)137-76(54-144)96(161)134-74(51-62-36-38-63(147)39-37-62)93(158)130-71(34-23-47-123-106(117)118)91(156)138-80(57(3)4)99(164)126-64(84(110)149)30-19-44-120-103(111)112/h10-12,25-26,36-39,56-60,64-78,80-83,119,143-147H,13-24,27-35,40-55,107-109H2,1-9H3,(H2,110,149)(H,124,150)(H,125,148)(H,126,164)(H,127,151)(H,128,152)(H,129,153)(H,130,158)(H,131,160)(H,132,165)(H,133,157)(H,134,161)(H,135,155)(H,136,154)(H,137,166)(H,138,156)(H,139,159)(H,140,163)(H,141,162)(H4,111,112,120)(H4,113,114,121)(H4,115,116,122)(H4,117,118,123)/t60-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,80+,81+,82+,83+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of human recombinant His-tagged KDM1A (171 to 836 residues) using H3K4me2 as substrate by peroxidase coupled enzyme assay				J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific demethylase 2A (Homo sapiens (Human))	BDBM50158852 (CHEMBL3785340) Show SMILES [I-].CCCCCC[n+]1ccc(\C=C\c2ccc(cc2)N(C)C)cc1 Show InChI InChI=1S/C21H29N2.HI/c1-4-5-6-7-16-23-17-14-20(15-18-23)9-8-19-10-12-21(13-11-19)22(2)3;/h8-15,17-18H,4-7,16H2,1-3H3;1H/q+1;/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Competitive inhibition of recombinant His6-tagged KDM2A (1 to 517 residues) (unknown origin) expressed in Escherichia coli BL21 cells using methylsta...				J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50278110 (CHEMBL511838 | N4-(2,3-dihydro-1H-inden-2-yl)-N4,N...) Show SMILES CN(C)c1cc2c(ncnc2cn1)N(C)C1Cc2ccccc2C1 Show InChI InChI=1S/C19H21N5/c1-23(2)18-10-16-17(11-20-18)21-12-22-19(16)24(3)15-8-13-6-4-5-7-14(13)9-15/h4-7,10-12,15H,8-9H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50158852 (CHEMBL3785340) Show SMILES [I-].CCCCCC[n+]1ccc(\C=C\c2ccc(cc2)N(C)C)cc1 Show InChI InChI=1S/C21H29N2.HI/c1-4-5-6-7-16-23-17-14-20(15-18-23)9-8-19-10-12-21(13-11-19)22(2)3;/h8-15,17-18H,4-7,16H2,1-3H3;1H/q+1;/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Competitive inhibition of recombinant His6-tagged KDM4A (1 to 359 residues) (unknown origin) expressed in Escherichia coli BL21 cells using methylsta...				J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific demethylase 2A (Homo sapiens (Human))	BDBM50158851 (CHEMBL3786265) Show SMILES [I-].CN(C)c1ccc(\C=C\c2cc[n+](Cc3ccc(F)cc3)cc2)cc1 Show InChI InChI=1S/C22H22FN2.HI/c1-24(2)22-11-7-18(8-12-22)3-4-19-13-15-25(16-14-19)17-20-5-9-21(23)10-6-20;/h3-16H,17H2,1-2H3;1H/q+1;/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Competitive inhibition of recombinant His6-tagged KDM2A (1 to 517 residues) (unknown origin) expressed in Escherichia coli BL21 cells using methylsta...				J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Lysine-specific demethylase 4A (Homo sapiens (Human))	BDBM50158851 (CHEMBL3786265) Show SMILES [I-].CN(C)c1ccc(\C=C\c2cc[n+](Cc3ccc(F)cc3)cc2)cc1 Show InChI InChI=1S/C22H22FN2.HI/c1-24(2)22-11-7-18(8-12-22)3-4-19-13-15-25(16-14-19)17-20-5-9-21(23)10-6-20;/h3-16H,17H2,1-2H3;1H/q+1;/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Competitive inhibition of recombinant His6-tagged KDM4A (1 to 359 residues) (unknown origin) expressed in Escherichia coli BL21 cells using methylsta...				J Med Chem 59: 1308-29 (2016) Article DOI: 10.1021/acs.jmedchem.5b01758 BindingDB Entry DOI: 10.7270/Q2MP5559
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 1 (RAT)	BDBM50278116 (4-(cyclohexyloxy)quinazoline | CHEMBL471866) Show SMILES C1CCC(CC1)Oc1ncnc2ccccc12 Show InChI InChI=1S/C14H16N2O/c1-2-6-11(7-3-1)17-14-12-8-4-5-9-13(12)15-10-16-14/h4-5,8-11H,1-3,6-7H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	694	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Medical Research Council Technology Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of glutamate-evoked increase in calcium internalization preincubated...				Bioorg Med Chem Lett 19: 2190-4 (2009) Article DOI: 10.1016/j.bmcl.2009.02.106 BindingDB Entry DOI: 10.7270/Q2057FSP
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1150 total )  |  Next  |  Last  >>

Jump to: