Compile Data Set for Download or QSAR

Found 654 hits with Last Name = 'inghardt' and Initial = 't'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50214034 ((1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-(t...) Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)nc2c1 Show InChI InChI=1S/C22H27N3OS/c1-15-10-22(25-21-12-19(26-2)6-7-20(15)21)24-18-5-3-4-17(11-18)23-13-16-8-9-27-14-16/h6-10,12,14,17-18,23H,3-5,11,13H2,1-2H3,(H,24,25)/t17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50214034 ((1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-(t...) Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)nc2c1 Show InChI InChI=1S/C22H27N3OS/c1-15-10-22(25-21-12-19(26-2)6-7-20(15)21)24-18-5-3-4-17(11-18)23-13-16-8-9-27-14-16/h6-10,12,14,17-18,23H,3-5,11,13H2,1-2H3,(H,24,25)/t17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50296045 (CHEMBL562847 | N-(1-(6-oxo-1,6-dihydropyridin-3-yl...) Show SMILES CCCCC(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(=O)[nH]c1 Show InChI InChI=1S/C29H35F3N4O2/c1-2-3-4-26(23-5-10-27(37)33-18-23)34-28(38)17-21-11-14-35(15-12-21)19-22-13-16-36(20-22)25-8-6-24(7-9-25)29(30,31)32/h5-10,13,16,18,20-21,26H,2-4,11-12,14-15,17,19H2,1H3,(H,33,37)(H,34,38)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4268-73 (2009) Article DOI: 10.1016/j.bmcl.2009.05.067 BindingDB Entry DOI: 10.7270/Q2RX9C4H
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312172 (Alternative Preparation | US10016430, Example 3 | ...) Show SMILES C[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)/t8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02141 BindingDB Entry DOI: 10.7270/Q2WD44KM
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312172 (Alternative Preparation | US10016430, Example 3 | ...) Show SMILES C[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)/t8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02141 BindingDB Entry DOI: 10.7270/Q2WD44KM
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50296041 (CHEMBL553196 | N-((4-fluorophenyl)(6-methoxypyridi...) Show SMILES COc1ccc(cn1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C32H32F4N4O2/c1-42-30-11-4-25(19-37-30)31(24-2-7-27(33)8-3-24)38-29(41)18-22-12-15-39(16-13-22)20-23-14-17-40(21-23)28-9-5-26(6-10-28)32(34,35)36/h2-11,14,17,19,21-22,31H,12-13,15-16,18,20H2,1H3,(H,38,41)	Reactome pathway KEGG UniProtKB/SwissProt 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
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4268-73 (2009) Article DOI: 10.1016/j.bmcl.2009.05.067 BindingDB Entry DOI: 10.7270/Q2RX9C4H
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50048722 (CHEMBL3319646) Show SMILES CC(Nc1cccc(F)c1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)NCCN(C)C Show InChI InChI=1S/C25H31FN6O3/c1-17(28-20-6-4-5-19(26)14-20)21-13-18(25(34)27-7-8-30(2)3)16-32-23(33)15-22(29-24(21)32)31-9-11-35-12-10-31/h4-6,13-17,28H,7-12H2,1-3H3,(H,27,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human MAD-MB-468 cells assessed as inhibition of Ser473 Akt phosphorylation by cellular potency assay				Bioorg Med Chem Lett 24: 3928-35 (2014) Article DOI: 10.1016/j.bmcl.2014.06.040 BindingDB Entry DOI: 10.7270/Q2BZ67PH
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50296044 (CHEMBL554332 | N-((4-fluorophenyl)(6-oxo-1,6-dihyd...) Show SMILES Fc1ccc(cc1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(=O)[nH]c1 Show InChI InChI=1S/C31H30F4N4O2/c32-26-6-1-23(2-7-26)30(24-3-10-28(40)36-18-24)37-29(41)17-21-11-14-38(15-12-21)19-22-13-16-39(20-22)27-8-4-25(5-9-27)31(33,34)35/h1-10,13,16,18,20-21,30H,11-12,14-15,17,19H2,(H,36,40)(H,37,41)	Reactome pathway KEGG UniProtKB/SwissProt 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
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4268-73 (2009) Article DOI: 10.1016/j.bmcl.2009.05.067 BindingDB Entry DOI: 10.7270/Q2RX9C4H
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50048713 (CHEMBL3319490) Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)C |r| Show InChI InChI=1S/C23H25F2N5O3/c1-14(26-18-10-16(24)9-17(25)11-18)19-8-15(23(32)28(2)3)13-30-21(31)12-20(27-22(19)30)29-4-6-33-7-5-29/h8-14,26H,4-7H2,1-3H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human MAD-MB-468 cells assessed as inhibition of Ser473 Akt phosphorylation by cellular potency assay				Bioorg Med Chem Lett 24: 3928-35 (2014) Article DOI: 10.1016/j.bmcl.2014.06.040 BindingDB Entry DOI: 10.7270/Q2BZ67PH
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50214024 ((1S,3S)-N1-(6-methoxy-4-methylquinolin-2-yl)-N3-(t...) Show SMILES COc1ccc2nc(N[C@H]3CCC[C@@H](C3)NCc3ccsc3)cc(C)c2c1 Show InChI InChI=1S/C22H27N3OS/c1-15-10-22(25-21-7-6-19(26-2)12-20(15)21)24-18-5-3-4-17(11-18)23-13-16-8-9-27-14-16/h6-10,12,14,17-18,23H,3-5,11,13H2,1-2H3,(H,24,25)/t17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt 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
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50595667 (CHEMBL5181350) Show SMILES C[C@@H](N)c1cc(Cl)ccc1Cn1c2nc[nH]c2c(=O)[nH]c1=S |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02141 BindingDB Entry DOI: 10.7270/Q2WD44KM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50048710 (CHEMBL3319485) Show SMILES CC(Nc1cccc(Cl)c1F)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)NCCN(C)C Show InChI InChI=1S/C25H30ClFN6O3/c1-16(29-20-6-4-5-19(26)23(20)27)18-13-17(25(35)28-7-8-31(2)3)15-33-22(34)14-21(30-24(18)33)32-9-11-36-12-10-32/h4-6,13-16,29H,7-12H2,1-3H3,(H,28,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human MAD-MB-468 cells assessed as inhibition of Ser473 Akt phosphorylation by cellular potency assay				Bioorg Med Chem Lett 24: 3928-35 (2014) Article DOI: 10.1016/j.bmcl.2014.06.040 BindingDB Entry DOI: 10.7270/Q2BZ67PH
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50296019 (CHEMBL549635 | N-(4-fluorobenzyl)-N-(3-hydroxyprop...) Show SMILES OCCCN(Cc1ccc(F)cc1)C(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1 Show InChI InChI=1S/C29H33F4N3O2/c30-26-6-2-23(3-7-26)20-36(13-1-17-37)28(38)18-22-10-14-34(15-11-22)19-24-12-16-35(21-24)27-8-4-25(5-9-27)29(31,32)33/h2-9,12,16,21-22,37H,1,10-11,13-15,17-20H2	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4268-73 (2009) Article DOI: 10.1016/j.bmcl.2009.05.067 BindingDB Entry DOI: 10.7270/Q2RX9C4H
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM50595661 (CHEMBL5197968) Show SMILES NC(c1ccccc1)c1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02141 BindingDB Entry DOI: 10.7270/Q2WD44KM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Myeloperoxidase (Homo sapiens (Human))	BDBM50595661 (CHEMBL5197968) Show SMILES NC(c1ccccc1)c1ccccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02141 BindingDB Entry DOI: 10.7270/Q2WD44KM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50048713 (CHEMBL3319490) Show SMILES C[C@@H](Nc1cc(F)cc(F)c1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)C |r| Show InChI InChI=1S/C23H25F2N5O3/c1-14(26-18-10-16(24)9-17(25)11-18)19-8-15(23(32)28(2)3)13-30-21(31)12-20(27-22(19)30)29-4-6-33-7-5-29/h8-14,26H,4-7H2,1-3H3/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kbeta assessed as depletion of ATP substrate by Ultra Glo luciferase assay				Bioorg Med Chem Lett 24: 3928-35 (2014) Article DOI: 10.1016/j.bmcl.2014.06.040 BindingDB Entry DOI: 10.7270/Q2BZ67PH
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50214036 ((1S,3S)-N1-((5-(difluoromethoxy)-1-methyl-1H-indol...) Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4ccc(OC(F)F)cc34)nc2c1 Show InChI InChI=1S/C27H30F2N4O2/c1-16-10-26(32-24-13-20(34-3)6-8-22(16)24)31-19-5-4-18(11-19)30-14-17-15-33(2)25-9-7-21(12-23(17)25)35-27(28)29/h6-10,12-13,15,18-19,27,30H,4-5,11,14H2,1-3H3,(H,31,32)/t18-,19-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50296042 (CHEMBL549984 | N-(1-(6-methoxypyridin-3-yl)pentyl)...) Show SMILES CCCCC(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(OC)nc1 Show InChI InChI=1S/C30H37F3N4O2/c1-3-4-5-27(24-6-11-29(39-2)34-19-24)35-28(38)18-22-12-15-36(16-13-22)20-23-14-17-37(21-23)26-9-7-25(8-10-26)30(31,32)33/h6-11,14,17,19,21-22,27H,3-5,12-13,15-16,18,20H2,1-2H3,(H,35,38)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia 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
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4268-73 (2009) Article DOI: 10.1016/j.bmcl.2009.05.067 BindingDB Entry DOI: 10.7270/Q2RX9C4H
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50296043 (CHEMBL540930 | N-((5-chloro-6-oxo-1,6-dihydropyrid...) Show SMILES Fc1ccc(cc1)C(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1c[nH]c(=O)c(Cl)c1 Show InChI InChI=1S/C31H29ClF4N4O2/c32-27-16-23(17-37-30(27)42)29(22-1-5-25(33)6-2-22)38-28(41)15-20-9-12-39(13-10-20)18-21-11-14-40(19-21)26-7-3-24(4-8-26)31(34,35)36/h1-8,11,14,16-17,19-20,29H,9-10,12-13,15,18H2,(H,37,42)(H,38,41)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4268-73 (2009) Article DOI: 10.1016/j.bmcl.2009.05.067 BindingDB Entry DOI: 10.7270/Q2RX9C4H
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312171 (1-[2-(1-Aminoethyl)-4-chlorobenzyl]-2-thioxo-1,2,3...) Show SMILES CC(N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...				US Patent US10016430 (2018) BindingDB Entry DOI: 10.7270/Q2WW7M2N
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312172 (Alternative Preparation | US10016430, Example 3 | ...) Show SMILES C[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)/t8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...				US Patent US10016430 (2018) BindingDB Entry DOI: 10.7270/Q2WW7M2N
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312171 (1-[2-(1-Aminoethyl)-4-chlorobenzyl]-2-thioxo-1,2,3...) Show SMILES CC(N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Methods for the determination of MPO inhibitory activity are disclosed in WO 02/090575. The pharmacological activity of compounds disclosed herein wa...				US Patent US11000525 (2021) BindingDB Entry DOI: 10.7270/Q2QJ7MD4
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312172 (Alternative Preparation | US10016430, Example 3 | ...) Show SMILES C[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)/t8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Methods for the determination of MPO inhibitory activity are disclosed in WO 02/090575. The pharmacological activity of compounds disclosed herein wa...				US Patent US11000525 (2021) BindingDB Entry DOI: 10.7270/Q2QJ7MD4
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50395803 (CHEMBL2165175) Show SMILES Cc1cc(ccn1)-c1cc(=O)[nH]c(NCc2cccc3ccccc23)n1 Show InChI InChI=1S/C21H18N4O/c1-14-11-16(9-10-22-14)19-12-20(26)25-21(24-19)23-13-17-7-4-6-15-5-2-3-8-18(15)17/h2-12H,13H2,1H3,(H2,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50048720 (CHEMBL3319644) Show SMILES CC(Nc1ccccc1Cl)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)NCCN(C)C Show InChI InChI=1S/C25H31ClN6O3/c1-17(28-21-7-5-4-6-20(21)26)19-14-18(25(34)27-8-9-30(2)3)16-32-23(33)15-22(29-24(19)32)31-10-12-35-13-11-31/h4-7,14-17,28H,8-13H2,1-3H3,(H,27,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human MAD-MB-468 cells assessed as inhibition of Ser473 Akt phosphorylation by cellular potency assay				Bioorg Med Chem Lett 24: 3928-35 (2014) Article DOI: 10.1016/j.bmcl.2014.06.040 BindingDB Entry DOI: 10.7270/Q2BZ67PH
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312172 (Alternative Preparation | US10016430, Example 3 | ...) Show SMILES C[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)/t8-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the pres...				US Patent US9616063 (2017) BindingDB Entry DOI: 10.7270/Q2Q24296
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50214037 ((1S,3S)-N1-(4-methylquinolin-2-yl)-N3-(thiophen-3-...) Show SMILES Cc1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12 Show InChI InChI=1S/C21H25N3S/c1-15-11-21(24-20-8-3-2-7-19(15)20)23-18-6-4-5-17(12-18)22-13-16-9-10-25-14-16/h2-3,7-11,14,17-18,22H,4-6,12-13H2,1H3,(H,23,24)/t17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50048710 (CHEMBL3319485) Show SMILES CC(Nc1cccc(Cl)c1F)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)NCCN(C)C Show InChI InChI=1S/C25H30ClFN6O3/c1-16(29-20-6-4-5-19(26)23(20)27)18-13-17(25(35)28-7-8-31(2)3)15-33-22(34)14-21(30-24(18)33)32-9-11-36-12-10-32/h4-6,13-16,29H,7-12H2,1-3H3,(H,28,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kbeta assessed as depletion of ATP substrate by Ultra Glo luciferase assay				Bioorg Med Chem Lett 24: 3928-35 (2014) Article DOI: 10.1016/j.bmcl.2014.06.040 BindingDB Entry DOI: 10.7270/Q2BZ67PH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50048712 (CHEMBL3319489) Show SMILES CC(Nc1ccc(F)c(F)c1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)C Show InChI InChI=1S/C23H25F2N5O3/c1-14(26-16-4-5-18(24)19(25)11-16)17-10-15(23(32)28(2)3)13-30-21(31)12-20(27-22(17)30)29-6-8-33-9-7-29/h4-5,10-14,26H,6-9H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kbeta assessed as depletion of ATP substrate by Ultra Glo luciferase assay				Bioorg Med Chem Lett 24: 3928-35 (2014) Article DOI: 10.1016/j.bmcl.2014.06.040 BindingDB Entry DOI: 10.7270/Q2BZ67PH
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312171 (1-[2-(1-Aminoethyl)-4-chlorobenzyl]-2-thioxo-1,2,3...) Show SMILES CC(N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |$;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C15H15ClN4OS/c1-8(17)11-6-10(16)3-2-9(11)7-20-12-4-5-18-13(12)14(21)19-15(20)22/h2-6,8,18H,7,17H2,1H3,(H,19,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the pres...				US Patent US9616063 (2017) BindingDB Entry DOI: 10.7270/Q2Q24296
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50048709 (CHEMBL3318715) Show SMILES CC(Nc1ccccc1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)NCCN(C)C Show InChI InChI=1S/C25H32N6O3/c1-18(27-20-7-5-4-6-8-20)21-15-19(25(33)26-9-10-29(2)3)17-31-23(32)16-22(28-24(21)31)30-11-13-34-14-12-30/h4-8,15-18,27H,9-14H2,1-3H3,(H,26,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human MAD-MB-468 cells assessed as inhibition of Ser473 Akt phosphorylation by cellular potency assay				Bioorg Med Chem Lett 24: 3928-35 (2014) Article DOI: 10.1016/j.bmcl.2014.06.040 BindingDB Entry DOI: 10.7270/Q2BZ67PH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50048709 (CHEMBL3318715) Show SMILES CC(Nc1ccccc1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)NCCN(C)C Show InChI InChI=1S/C25H32N6O3/c1-18(27-20-7-5-4-6-8-20)21-15-19(25(33)26-9-10-29(2)3)17-31-23(32)16-22(28-24(21)31)30-11-13-34-14-12-30/h4-8,15-18,27H,9-14H2,1-3H3,(H,26,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kbeta assessed as depletion of ATP substrate by Ultra Glo luciferase assay				Bioorg Med Chem Lett 24: 3928-35 (2014) Article DOI: 10.1016/j.bmcl.2014.06.040 BindingDB Entry DOI: 10.7270/Q2BZ67PH
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50296047 (CHEMBL554511 | N-(2,4-dichlorobenzyl)-4-((1-(4-(tr...) Show SMILES FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCN(CC2)C(=O)NCc2ccc(Cl)cc2Cl)c1 Show InChI InChI=1S/C24H23Cl2F3N4O/c25-20-4-1-18(22(26)13-20)14-30-23(34)32-11-9-31(10-12-32)15-17-7-8-33(16-17)21-5-2-19(3-6-21)24(27,28)29/h1-8,13,16H,9-12,14-15H2,(H,30,34)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4268-73 (2009) Article DOI: 10.1016/j.bmcl.2009.05.067 BindingDB Entry DOI: 10.7270/Q2RX9C4H
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50048838 (CHEMBL3319494) Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)N(C)CCO Show InChI InChI=1S/C24H27F2N5O4/c1-15(27-19-11-17(25)10-18(26)12-19)20-9-16(24(34)29(2)3-6-32)14-31-22(33)13-21(28-23(20)31)30-4-7-35-8-5-30/h9-15,27,32H,3-8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human MAD-MB-468 cells assessed as inhibition of Ser473 Akt phosphorylation by cellular potency assay				Bioorg Med Chem Lett 24: 3928-35 (2014) Article DOI: 10.1016/j.bmcl.2014.06.040 BindingDB Entry DOI: 10.7270/Q2BZ67PH
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50214052 ((1S,3S)-N1-(4-methoxyquinolin-2-yl)-N3-(thiophen-3...) Show SMILES COc1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12 Show InChI InChI=1S/C21H25N3OS/c1-25-20-12-21(24-19-8-3-2-7-18(19)20)23-17-6-4-5-16(11-17)22-13-15-9-10-26-14-15/h2-3,7-10,12,14,16-17,22H,4-6,11,13H2,1H3,(H,23,24)/t16-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Antagonist activity at human MCHR1 expressed in HEK293 cells assessed as [35S]GTPgammaS accumulation				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312157 (1-{2-[(1R)-1-Aminopropyl]-4-chlorobenzyl}-2-thioxo...) Show SMILES CC[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C16H17ClN4OS/c1-2-12(18)11-7-10(17)4-3-9(11)8-21-13-5-6-19-14(13)15(22)20-16(21)23/h3-7,12,19H,2,8,18H2,1H3,(H,20,22,23)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Methods for the determination of MPO inhibitory activity are disclosed in WO 02/090575. The pharmacological activity of compounds disclosed herein wa...				US Patent US11000525 (2021) BindingDB Entry DOI: 10.7270/Q2QJ7MD4
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312157 (1-{2-[(1R)-1-Aminopropyl]-4-chlorobenzyl}-2-thioxo...) Show SMILES CC[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C16H17ClN4OS/c1-2-12(18)11-7-10(17)4-3-9(11)8-21-13-5-6-19-14(13)15(22)20-16(21)23/h3-7,12,19H,2,8,18H2,1H3,(H,20,22,23)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...				US Patent US10016430 (2018) BindingDB Entry DOI: 10.7270/Q2WW7M2N
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312157 (1-{2-[(1R)-1-Aminopropyl]-4-chlorobenzyl}-2-thioxo...) Show SMILES CC[C@@H](N)c1cc(Cl)ccc1Cn1c2cc[nH]c2c(=O)[nH]c1=S |r,$;;;;;;;;;;;;;;;;HN;;;;;;$| Show InChI InChI=1S/C16H17ClN4OS/c1-2-12(18)11-7-10(17)4-3-9(11)8-21-13-5-6-19-14(13)15(22)20-16(21)23/h3-7,12,19H,2,8,18H2,1H3,(H,20,22,23)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the pres...				US Patent US9616063 (2017) BindingDB Entry DOI: 10.7270/Q2Q24296
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50214052 ((1S,3S)-N1-(4-methoxyquinolin-2-yl)-N3-(thiophen-3...) Show SMILES COc1cc(N[C@H]2CCC[C@@H](C2)NCc2ccsc2)nc2ccccc12 Show InChI InChI=1S/C21H25N3OS/c1-25-20-12-21(24-19-8-3-2-7-18(19)20)23-17-6-4-5-16(11-17)22-13-15-9-10-26-14-15/h2-3,7-10,12,14,16-17,22H,4-6,11,13H2,1H3,(H,23,24)/t16-,17-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50214035 ((1S,3S)-N1-(7-methoxy-4-methylquinolin-2-yl)-N3-((...) Show SMILES COc1ccc2c(C)cc(N[C@H]3CC[C@@H](C3)NCc3cn(C)c4ccccc34)nc2c1 Show InChI InChI=1S/C26H30N4O/c1-17-12-26(29-24-14-21(31-3)10-11-22(17)24)28-20-9-8-19(13-20)27-15-18-16-30(2)25-7-5-4-6-23(18)25/h4-7,10-12,14,16,19-20,27H,8-9,13,15H2,1-3H3,(H,28,29)/t19-,20-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50048717 (CHEMBL3319642) Show SMILES CC(Nc1cc(F)cc(F)c1)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 Show InChI InChI=1S/C21H22F2N4O2/c1-13-7-18(14(2)24-17-9-15(22)8-16(23)10-17)21-25-19(11-20(28)27(21)12-13)26-3-5-29-6-4-26/h7-12,14,24H,3-6H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human MAD-MB-468 cells assessed as inhibition of Ser473 Akt phosphorylation by cellular potency assay				Bioorg Med Chem Lett 24: 3928-35 (2014) Article DOI: 10.1016/j.bmcl.2014.06.040 BindingDB Entry DOI: 10.7270/Q2BZ67PH
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312256 (1-{2-[(Cyclobutylamino)methyl]benzyl}-2-thioxo-1,2...) Show SMILES O=c1[nH]c(=S)n(Cc2ccccc2CNC2CCC2)c2cc[nH]c12 |$;;;;;;;;;;;;;;HN;;;;;;;;HN;$| Show InChI InChI=1S/C18H20N4OS/c23-17-16-15(8-9-19-16)22(18(24)21-17)11-13-5-2-1-4-12(13)10-20-14-6-3-7-14/h1-2,4-5,8-9,14,19-20H,3,6-7,10-11H2,(H,21,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description MPO: The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the...				US Patent US10016430 (2018) BindingDB Entry DOI: 10.7270/Q2WW7M2N
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312256 (1-{2-[(Cyclobutylamino)methyl]benzyl}-2-thioxo-1,2...) Show SMILES O=c1[nH]c(=S)n(Cc2ccccc2CNC2CCC2)c2cc[nH]c12 |$;;;;;;;;;;;;;;HN;;;;;;;;HN;$| Show InChI InChI=1S/C18H20N4OS/c23-17-16-15(8-9-19-16)22(18(24)21-17)11-13-5-2-1-4-12(13)10-20-14-6-3-7-14/h1-2,4-5,8-9,14,19-20H,3,6-7,10-11H2,(H,21,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
ASTRAZENECA AB US Patent					Assay Description Methods for the determination of MPO inhibitory activity are disclosed in WO 02/090575. The pharmacological activity of compounds disclosed herein wa...				US Patent US11000525 (2021) BindingDB Entry DOI: 10.7270/Q2QJ7MD4
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50297624 (1-phenyl-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-p...) Show SMILES FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)N2CCn3cccc3C2c2ccccc2)c1 Show InChI InChI=1S/C31H32F3N5O/c32-31(33,34)25-8-10-27(11-9-25)38-18-12-23(22-38)21-36-16-13-26(14-17-36)35-30(40)39-20-19-37-15-4-7-28(37)29(39)24-5-2-1-3-6-24/h1-12,15,18,22,26,29H,13-14,16-17,19-21H2,(H,35,40)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCH1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4274-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.066 BindingDB Entry DOI: 10.7270/Q24Q7V1J
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50395821 (CHEMBL2165191) Show SMILES C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant PI3Kbeta assessed as PIP3 production by AlphaScreen assay				Bioorg Med Chem Lett 24: 3936-43 (2014) Article DOI: 10.1016/j.bmcl.2014.07.007 BindingDB Entry DOI: 10.7270/Q2BP04F3
					More data for this Ligand-Target Pair
Myeloperoxidase (Homo sapiens (Human))	BDBM312256 (1-{2-[(Cyclobutylamino)methyl]benzyl}-2-thioxo-1,2...) Show SMILES O=c1[nH]c(=S)n(Cc2ccccc2CNC2CCC2)c2cc[nH]c12 |$;;;;;;;;;;;;;;HN;;;;;;;;HN;$| Show InChI InChI=1S/C18H20N4OS/c23-17-16-15(8-9-19-16)22(18(24)21-17)11-13-5-2-1-4-12(13)10-20-14-6-3-7-14/h1-2,4-5,8-9,14,19-20H,3,6-7,10-11H2,(H,21,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca AB US Patent					Assay Description The pharmacological activity of compounds disclosed herein was tested in the following screen (Test A) in which the compounds were tested in the pres...				US Patent US9616063 (2017) BindingDB Entry DOI: 10.7270/Q2Q24296
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50214050 ((1S,3S)-N1-(benzo[c][1,2,5]thiadiazol-4-ylmethyl)-...) Show SMILES COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3cccc4nsnc34)nc2c1 Show InChI InChI=1S/C24H27N5OS/c1-15-11-23(27-22-13-19(30-2)9-10-20(15)22)26-18-7-4-6-17(12-18)25-14-16-5-3-8-21-24(16)29-31-28-21/h3,5,8-11,13,17-18,25H,4,6-7,12,14H2,1-2H3,(H,26,27)/t17-,18-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Mölndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCHR1 expressed in HEK293 cells				Bioorg Med Chem Lett 17: 4232-41 (2007) Article DOI: 10.1016/j.bmcl.2007.05.034 BindingDB Entry DOI: 10.7270/Q27W6BVC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50048719 (CHEMBL3319643) Show SMILES CC(Nc1cccc(Cl)c1)c1cc(cn2c1nc(cc2=O)N1CCOCC1)C(=O)NCCN(C)C Show InChI InChI=1S/C25H31ClN6O3/c1-17(28-20-6-4-5-19(26)14-20)21-13-18(25(34)27-7-8-30(2)3)16-32-23(33)15-22(29-24(21)32)31-9-11-35-12-10-31/h4-6,13-17,28H,7-12H2,1-3H3,(H,27,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta in human MAD-MB-468 cells assessed as inhibition of Ser473 Akt phosphorylation by cellular potency assay				Bioorg Med Chem Lett 24: 3928-35 (2014) Article DOI: 10.1016/j.bmcl.2014.06.040 BindingDB Entry DOI: 10.7270/Q2BZ67PH
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50395821 (CHEMBL2165191) Show SMILES C[C@@H](Nc1ccccc1C(O)=O)c1cc(C)cn2c1nc(cc2=O)N1CCOCC1 |r| Show InChI InChI=1S/C22H24N4O4/c1-14-11-17(15(2)23-18-6-4-3-5-16(18)22(28)29)21-24-19(12-20(27)26(21)13-14)25-7-9-30-10-8-25/h3-6,11-13,15,23H,7-10H2,1-2H3,(H,28,29)/t15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant His6-tagged PI3K p110beta expressed in baculovirus infected cells using DiC8-PI(4,5)P2 as substrate after 20 mins by ...				Bioorg Med Chem Lett 22: 6671-6 (2012) Article DOI: 10.1016/j.bmcl.2012.08.102 BindingDB Entry DOI: 10.7270/Q2445NKM
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor 1 (Homo sapiens (Human))	BDBM50297625 (1-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-phenylethyl)...) Show SMILES Cc1cc(C)n(CC(NC(=O)NC2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)CC2)c2ccccc2)n1 Show InChI InChI=1S/C31H35F3N6O/c1-22-18-23(2)40(37-22)21-29(25-6-4-3-5-7-25)36-30(41)35-27-13-15-38(16-14-27)19-24-12-17-39(20-24)28-10-8-26(9-11-28)31(32,33)34/h3-12,17-18,20,27,29H,13-16,19,21H2,1-2H3,(H2,35,36,41)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D M£lndal Curated by ChEMBL					Assay Description Displacement of [125I]MCH from human MCH1 receptor expressed in HEK293 cells				Bioorg Med Chem Lett 19: 4274-9 (2009) Article DOI: 10.1016/j.bmcl.2009.05.066 BindingDB Entry DOI: 10.7270/Q24Q7V1J
					More data for this Ligand-Target Pair

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