Compile Data Set for Download or QSAR

Found 2917 hits with Last Name = 'yu' and Initial = 'q'   

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
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM50073587 (CHEMBL3408947 | US10358436, Example A185 | US20230...) Show SMILES COc1ccc2NC(=O)[C@@]3(C[C@H]3c3ccc4c(\C=C\c5ccc(CN6C[C@H](C)O[C@H](C)C6)cc5)n[nH]c4c3)c2c1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Competitive inhibition of PLK-4 (unknown origin)				Eur J Med Chem 95: 35-40 (2015) Article DOI: 10.1016/j.ejmech.2015.03.020 BindingDB Entry DOI: 10.7270/Q2NG4SBV
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50531563 (CHEMBL4463240) Show SMILES CC(C)Cc1cc2N([C@@H](CS(N)(=O)=O)COc2cc1F)C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C22H24FN3O6S/c1-12(2)5-14-7-18-20(8-16(14)23)31-9-15(11-33(24,29)30)26(18)22(28)13-3-4-19-17(6-13)25-21(27)10-32-19/h3-4,6-8,12,15H,5,9-11H2,1-2H3,(H,25,27)(H2,24,29,30)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50531598 (CHEMBL4572476) Show SMILES CS(=O)(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C19H17FN2O6S/c1-29(25,26)10-13-8-27-17-7-12(20)3-4-15(17)22(13)19(24)11-2-5-16-14(6-11)21-18(23)9-28-16/h2-7,13H,8-10H2,1H3,(H,21,23)/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50463294 (CHEMBL4249256) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@H](C(=O)c4ccccc4)[C@]2(OC)C=C1)ccc3OC |r,wU:16.16,1.0,wD:17.38,28.36,7.7,19.23,c:37,THB:10:9:17:5.6.4,(9.78,-11.07,;9.03,-9.74,;7.65,-10.81,;5.94,-9.74,;6.72,-8.4,;5.95,-7.07,;6.71,-5.74,;8.25,-5.74,;9.79,-5.74,;9.03,-4.41,;9.78,-3.07,;11.32,-3.05,;12.66,-3.81,;12.64,-2.27,;7.47,-5.14,;7.41,-7.18,;8.25,-8.41,;9.02,-7.07,;10.56,-7.06,;11.34,-8.4,;12.88,-8.4,;13.65,-7.07,;13.65,-9.73,;12.87,-11.06,;13.64,-12.4,;15.18,-12.4,;15.95,-11.05,;15.18,-9.72,;10.59,-9.7,;11.34,-11.07,;10.57,-12.41,;9.25,-8.93,;10.35,-7.84,;4.41,-7.06,;3.64,-8.38,;4.4,-9.72,;3.62,-11.05,;2.08,-11.04,)| Show InChI InChI=1S/C31H33NO4/c1-34-23-11-10-21-16-24-29-12-13-31(35-2,22(17-29)26(33)20-6-4-3-5-7-20)28-30(29,25(21)27(23)36-28)14-15-32(24)18-19-8-9-19/h3-7,10-13,19,22,24,28H,8-9,14-18H2,1-2H3/t22-,24-,28-,29-,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50463297 (CHEMBL4246433) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(O)c1ccc(OC)cc1)ccc3OC |r,THB:10:9:17:5.6.4| Show InChI InChI=1S/C33H41NO5/c1-30(28(35)21-7-10-23(36-2)11-8-21)19-31-13-14-33(30,38-4)29-32(31)15-16-34(18-20-5-6-20)25(31)17-22-9-12-24(37-3)27(39-29)26(22)32/h7-12,20,25,28-29,35H,5-6,13-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50531587 (CHEMBL4471322) Show SMILES CC(C)Cc1cc2N([C@@H](CC(N)=O)COc2cc1Cl)C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C23H24ClN3O5/c1-12(2)5-14-7-18-20(9-16(14)24)31-10-15(8-21(25)28)27(18)23(30)13-3-4-19-17(6-13)26-22(29)11-32-19/h3-4,6-7,9,12,15H,5,8,10-11H2,1-2H3,(H2,25,28)(H,26,29)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50463297 (CHEMBL4246433) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(O)c1ccc(OC)cc1)ccc3OC |r,THB:10:9:17:5.6.4| Show InChI InChI=1S/C33H41NO5/c1-30(28(35)21-7-10-23(36-2)11-8-21)19-31-13-14-33(30,38-4)29-32(31)15-16-34(18-20-5-6-20)25(31)17-22-9-12-24(37-3)27(39-29)26(22)32/h7-12,20,25,28-29,35H,5-6,13-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50531593 (CHEMBL4555842) Show SMILES CNC(=O)C[C@H]1COc2cc(F)c(CC(C)C)cc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C24H26FN3O5/c1-13(2)6-15-8-19-21(10-17(15)25)32-11-16(9-22(29)26-3)28(19)24(31)14-4-5-20-18(7-14)27-23(30)12-33-20/h4-5,7-8,10,13,16H,6,9,11-12H2,1-3H3,(H,26,29)(H,27,30)/t16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.631	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50531569 (CHEMBL4532472) Show SMILES NS(=O)(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C18H16FN3O6S/c19-11-2-3-14-16(6-11)27-7-12(9-29(20,25)26)22(14)18(24)10-1-4-15-13(5-10)21-17(23)8-28-15/h1-6,12H,7-9H2,(H,21,23)(H2,20,25,26)/t12-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50531587 (CHEMBL4471322) Show SMILES CC(C)Cc1cc2N([C@@H](CC(N)=O)COc2cc1Cl)C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C23H24ClN3O5/c1-12(2)5-14-7-18-20(9-16(14)24)31-10-15(8-21(25)28)27(18)23(30)13-3-4-19-17(6-13)26-22(29)11-32-19/h3-4,6-7,9,12,15H,5,8,10-11H2,1-2H3,(H2,25,28)(H,26,29)/t15-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50531563 (CHEMBL4463240) Show SMILES CC(C)Cc1cc2N([C@@H](CS(N)(=O)=O)COc2cc1F)C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C22H24FN3O6S/c1-12(2)5-14-7-18-20(8-16(14)23)31-9-15(11-33(24,29)30)26(18)22(28)13-3-4-19-17(6-13)25-21(27)10-32-19/h3-4,6-8,12,15H,5,9-11H2,1-2H3,(H,25,27)(H2,24,29,30)/t15-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50531589 (CHEMBL4468672) Show SMILES CC(C)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C21H21FN2O4/c1-12(2)7-15-10-27-19-9-14(22)4-5-17(19)24(15)21(26)13-3-6-18-16(8-13)23-20(25)11-28-18/h3-6,8-9,12,15H,7,10-11H2,1-2H3,(H,23,25)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50463293 (CHEMBL4242847) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(O)c1cccc(OC)c1)ccc3OC |r,THB:10:9:17:5.6.4| Show InChI InChI=1S/C33H41NO5/c1-30(28(35)22-6-5-7-23(16-22)36-2)19-31-12-13-33(30,38-4)29-32(31)14-15-34(18-20-8-9-20)25(31)17-21-10-11-24(37-3)27(39-29)26(21)32/h5-7,10-11,16,20,25,28-29,35H,8-9,12-15,17-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50531602 (CHEMBL4581588) Show SMILES NC(=O)C[C@H]1COc2cc(F)c(cc2N1C(=O)c1ccc2OCC(=O)Nc2c1)C1CC1 |r| Show InChI InChI=1S/C22H20FN3O5/c23-15-8-19-17(7-14(15)11-1-2-11)26(13(9-30-19)6-20(24)27)22(29)12-3-4-18-16(5-12)25-21(28)10-31-18/h3-5,7-8,11,13H,1-2,6,9-10H2,(H2,24,27)(H,25,28)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM404276 (US10017502, Example 8a) Show SMILES CNC(=O)C[C@H]1COc2cc(Br)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C20H18BrN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kansas Curated by ChEMBL					Assay Description Binding affinity to human recombinant cyclophilin D by surface plasmon resonance analysis				ACS Med Chem Lett 7: 294-9 (2016) Article DOI: 10.1021/acsmedchemlett.5b00451 BindingDB Entry DOI: 10.7270/Q24T6M8F
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50463284 (CHEMBL4245818) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(CO)C1)ccc3OC |r,THB:10:9:17:5.6.4| Show InChI InChI=1S/C26H35NO4/c1-23(15-28)14-24-8-9-26(23,30-3)22-25(24)10-11-27(13-16-4-5-16)19(24)12-17-6-7-18(29-2)21(31-22)20(17)25/h6-7,16,19,22,28H,4-5,8-15H2,1-3H3/t19-,22-,23-,24-,25+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50531602 (CHEMBL4581588) Show SMILES NC(=O)C[C@H]1COc2cc(F)c(cc2N1C(=O)c1ccc2OCC(=O)Nc2c1)C1CC1 |r| Show InChI InChI=1S/C22H20FN3O5/c23-15-8-19-17(7-14(15)11-1-2-11)26(13(9-30-19)6-20(24)27)22(29)12-3-4-18-16(5-12)25-21(28)10-31-18/h3-5,7-8,11,13H,1-2,6,9-10H2,(H2,24,27)(H,25,28)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM404273 (US10017502, Example 6b) Show SMILES CNC(=O)C[C@H]1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C20H18ClN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50531561 (CHEMBL4483495) Show SMILES CNC(=O)C[C@H]1COc2cc(C)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C21H21N3O5/c1-12-3-5-16-18(7-12)28-10-14(9-19(25)22-2)24(16)21(27)13-4-6-17-15(8-13)23-20(26)11-29-17/h3-8,14H,9-11H2,1-2H3,(H,22,25)(H,23,26)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM238161 (US10017502, Example 5a | US9394291, 5a) Show SMILES NC(=O)C[C@H]1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C19H16ClN3O5/c20-11-2-3-14-16(6-11)27-8-12(7-17(21)24)23(14)19(26)10-1-4-15-13(5-10)22-18(25)9-28-15/h1-6,12H,7-9H2,(H2,21,24)(H,22,25)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PLK4 (Homo sapiens (Human))	BDBM25117 (AG-013736 | AXITINIB | N-methyl-2-({3-[(E)-2-(pyri...) Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1 Show InChI InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhengzhou University Curated by ChEMBL					Assay Description Inhibition of PLK-4 (unknown origin)				Eur J Med Chem 95: 35-40 (2015) Article DOI: 10.1016/j.ejmech.2015.03.020 BindingDB Entry DOI: 10.7270/Q2NG4SBV
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50463292 (CHEMBL4243649) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(=O)c1cccc(OC)c1)ccc3OC |r,THB:10:9:17:5.6.4| Show InChI InChI=1S/C33H39NO5/c1-30(28(35)22-6-5-7-23(16-22)36-2)19-31-12-13-33(30,38-4)29-32(31)14-15-34(18-20-8-9-20)25(31)17-21-10-11-24(37-3)27(39-29)26(21)32/h5-7,10-11,16,20,25,29H,8-9,12-15,17-19H2,1-4H3/t25-,29-,30-,31-,32+,33+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50463289 (CHEMBL4248801) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C=O)ccc3OC |r,THB:10:9:17:5.6.4| Show InChI InChI=1S/C26H33NO4/c1-23(15-28)14-24-8-9-26(23,30-3)22-25(24)10-11-27(13-16-4-5-16)19(24)12-17-6-7-18(29-2)21(31-22)20(17)25/h6-7,15-16,19,22H,4-5,8-14H2,1-3H3/t19-,22-,23-,24-,25+,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50228080 (2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...) Show SMILES CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |r,t:6| Show InChI InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50463293 (CHEMBL4242847) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(O)c1cccc(OC)c1)ccc3OC |r,THB:10:9:17:5.6.4| Show InChI InChI=1S/C33H41NO5/c1-30(28(35)22-6-5-7-23(16-22)36-2)19-31-12-13-33(30,38-4)29-32(31)14-15-34(18-20-8-9-20)25(31)17-21-10-11-24(37-3)27(39-29)26(21)32/h5-7,10-11,16,20,25,28-29,35H,8-9,12-15,17-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50463287 (CHEMBL4238309) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)OC(=O)c1ccc(cc1)C(F)(F)F)ccc3OC |r,THB:10:9:17:5.6.4| Show InChI InChI=1S/C33H36F3NO5/c1-29(42-27(38)20-6-9-22(10-7-20)33(34,35)36)18-30-12-13-32(29,40-3)28-31(30)14-15-37(17-19-4-5-19)24(30)16-21-8-11-23(39-2)26(41-28)25(21)31/h6-11,19,24,28H,4-5,12-18H2,1-3H3/t24-,28-,29+,30-,31+,32+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50463290 (CHEMBL4241031) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)OC(C)=O)ccc3OC |r,THB:10:9:17:5.6.4| Show InChI InChI=1S/C27H35NO5/c1-16(29)33-24(2)15-25-9-10-27(24,31-4)23-26(25)11-12-28(14-17-5-6-17)20(25)13-18-7-8-19(30-3)22(32-23)21(18)26/h7-8,17,20,23H,5-6,9-15H2,1-4H3/t20-,23-,24+,25-,26+,27+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50531600 (CHEMBL4544614) Show SMILES NC(=O)C[C@H]1CNc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C19H17ClN4O4/c20-11-2-3-15-13(6-11)22-8-12(7-17(21)25)24(15)19(27)10-1-4-16-14(5-10)23-18(26)9-28-16/h1-6,12,22H,7-9H2,(H2,21,25)(H,23,26)/t12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50531593 (CHEMBL4555842) Show SMILES CNC(=O)C[C@H]1COc2cc(F)c(CC(C)C)cc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C24H26FN3O5/c1-13(2)6-15-8-19-21(10-17(15)25)32-11-16(9-22(29)26-3)28(19)24(31)14-4-5-20-18(7-14)27-23(30)12-33-20/h4-5,7-8,10,13,16H,6,9,11-12H2,1-3H3,(H,26,29)(H,27,30)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50531582 (CHEMBL4463035) Show SMILES CNC(=O)C[C@H]1COc2cc(F)c(CC(C)C)cc2N1C(=O)c1ccnc(NC(N)=O)c1 |r| Show InChI InChI=1S/C22H26FN5O4/c1-12(2)6-14-7-17-18(10-16(14)23)32-11-15(9-20(29)25-3)28(17)21(30)13-4-5-26-19(8-13)27-22(24)31/h4-5,7-8,10,12,15H,6,9,11H2,1-3H3,(H,25,29)(H3,24,26,27,31)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50463290 (CHEMBL4241031) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)OC(C)=O)ccc3OC |r,THB:10:9:17:5.6.4| Show InChI InChI=1S/C27H35NO5/c1-16(29)33-24(2)15-25-9-10-27(24,31-4)23-26(25)11-12-28(14-17-5-6-17)20(25)13-18-7-8-19(30-3)22(32-23)21(18)26/h7-8,17,20,23H,5-6,9-15H2,1-4H3/t20-,23-,24+,25-,26+,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50463286 (CHEMBL4239240) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(O)c1ccc(cc1)C(F)(F)F)ccc3OC |r,THB:10:9:17:5.6.4| Show InChI InChI=1S/C33H38F3NO4/c1-29(27(38)20-6-9-22(10-7-20)33(34,35)36)18-30-12-13-32(29,40-3)28-31(30)14-15-37(17-19-4-5-19)24(30)16-21-8-11-23(39-2)26(41-28)25(21)31/h6-11,19,24,27-28,38H,4-5,12-18H2,1-3H3/t24-,27?,28-,29-,30-,31+,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50531596 (CHEMBL4440231) Show SMILES CNC(=O)C[C@H]1COc2cc(F)c(OC(C)C)cc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C23H24FN3O6/c1-12(2)33-19-9-17-20(8-15(19)24)31-10-14(7-21(28)25-3)27(17)23(30)13-4-5-18-16(6-13)26-22(29)11-32-18/h4-6,8-9,12,14H,7,10-11H2,1-3H3,(H,25,28)(H,26,29)/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50531580 (CHEMBL4448501) Show SMILES OCC[C@H]1COc2cc(F)c(CC3CCCCC3)cc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C26H29FN2O5/c27-20-13-24-22(12-18(20)10-16-4-2-1-3-5-16)29(19(8-9-30)14-33-24)26(32)17-6-7-23-21(11-17)28-25(31)15-34-23/h6-7,11-13,16,19,30H,1-5,8-10,14-15H2,(H,28,31)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50463292 (CHEMBL4243649) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(=O)c1cccc(OC)c1)ccc3OC |r,THB:10:9:17:5.6.4| Show InChI InChI=1S/C33H39NO5/c1-30(28(35)22-6-5-7-23(16-22)36-2)19-31-12-13-33(30,38-4)29-32(31)14-15-34(18-20-8-9-20)25(31)17-21-10-11-24(37-3)27(39-29)26(21)32/h5-7,10-11,16,20,25,29H,8-9,12-15,17-19H2,1-4H3/t25-,29-,30-,31-,32+,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50235933 (CHEMBL3775714) Show SMILES Fc1ccc2c(OCc3ccccc3\C2=C/c2ccc3[nH]c(=O)[nH]c3c2)c1 Show InChI InChI=1S/C22H15FN2O2/c23-15-6-7-17-18(9-13-5-8-19-20(10-13)25-22(26)24-19)16-4-2-1-3-14(16)12-27-21(17)11-15/h1-11H,12H2,(H2,24,25,26)/b18-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50531595 (CHEMBL4452144) Show SMILES CNC(=O)C[C@H]1COc2cc(ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1)C(F)(F)F |r| Show InChI InChI=1S/C21H18F3N3O5/c1-25-18(28)8-13-9-31-17-7-12(21(22,23)24)3-4-15(17)27(13)20(30)11-2-5-16-14(6-11)26-19(29)10-32-16/h2-7,13H,8-10H2,1H3,(H,25,28)(H,26,29)/t13-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50463286 (CHEMBL4239240) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(O)c1ccc(cc1)C(F)(F)F)ccc3OC |r,THB:10:9:17:5.6.4| Show InChI InChI=1S/C33H38F3NO4/c1-29(27(38)20-6-9-22(10-7-20)33(34,35)36)18-30-12-13-32(29,40-3)28-31(30)14-15-37(17-19-4-5-19)24(30)16-21-8-11-23(39-2)26(41-28)25(21)31/h6-11,19,24,27-28,38H,4-5,12-18H2,1-3H3/t24-,27?,28-,29-,30-,31+,32+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50531570 (CHEMBL4556735) Show SMILES Cc1ccc2N(C(=O)c3ccc4OCC(=O)Nc4c3)[C@@](C)(CS(C)(=O)=O)COc2c1 |r| Show InChI InChI=1S/C21H22N2O6S/c1-13-4-6-16-18(8-13)29-11-21(2,12-30(3,26)27)23(16)20(25)14-5-7-17-15(9-14)22-19(24)10-28-17/h4-9H,10-12H2,1-3H3,(H,22,24)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50463282 (CHEMBL4243463) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(O)c1ccc(cc1)-c1ccccc1)ccc3OC |r,THB:10:9:17:5.6.4| Show InChI InChI=1S/C38H43NO4/c1-35(33(40)27-13-11-26(12-14-27)25-7-5-4-6-8-25)23-36-17-18-38(35,42-3)34-37(36)19-20-39(22-24-9-10-24)30(36)21-28-15-16-29(41-2)32(43-34)31(28)37/h4-8,11-16,24,30,33-34,40H,9-10,17-23H2,1-3H3/t30-,33?,34-,35-,36-,37+,38+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50463297 (CHEMBL4246433) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(O)c1ccc(OC)cc1)ccc3OC |r,THB:10:9:17:5.6.4| Show InChI InChI=1S/C33H41NO5/c1-30(28(35)21-7-10-23(36-2)11-8-21)19-31-13-14-33(30,38-4)29-32(31)15-16-34(18-20-5-6-20)25(31)17-22-9-12-24(37-3)27(39-29)26(22)32/h7-12,20,25,28-29,35H,5-6,13-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50531598 (CHEMBL4572476) Show SMILES CS(=O)(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C19H17FN2O6S/c1-29(25,26)10-13-8-27-17-7-12(20)3-4-15(17)22(13)19(24)11-2-5-16-14(6-11)21-18(23)9-28-16/h2-7,13H,8-10H2,1H3,(H,21,23)/t13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50398061 (CHEMBL2181928) Show SMILES C[C@@H]1CN([C@@H](CO1)c1ccccc1)c1ccc2OCC(=O)Nc2n1 |r| Show InChI InChI=1S/C18H19N3O3/c1-12-9-21(14(10-23-12)13-5-3-2-4-6-13)16-8-7-15-18(19-16)20-17(22)11-24-15/h2-8,12,14H,9-11H2,1H3,(H,19,20,22)/t12-,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50463293 (CHEMBL4242847) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(O)c1cccc(OC)c1)ccc3OC |r,THB:10:9:17:5.6.4| Show InChI InChI=1S/C33H41NO5/c1-30(28(35)22-6-5-7-23(16-22)36-2)19-31-12-13-33(30,38-4)29-32(31)14-15-34(18-20-8-9-20)25(31)17-21-10-11-24(37-3)27(39-29)26(21)32/h5-7,10-11,16,20,25,28-29,35H,8-9,12-15,17-19H2,1-4H3/t25-,28?,29-,30-,31-,32+,33+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from human DOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50463296 (CHEMBL4237854) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)OC(=O)C(C)C)ccc3OC |r,THB:10:9:17:5.6.4| Show InChI InChI=1S/C29H39NO5/c1-17(2)24(31)35-26(3)16-27-10-11-29(26,33-5)25-28(27)12-13-30(15-18-6-7-18)21(27)14-19-8-9-20(32-4)23(34-25)22(19)28/h8-9,17-18,21,25H,6-7,10-16H2,1-5H3/t21-,25-,26+,27-,28+,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50463284 (CHEMBL4245818) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@@](C)(CO)C1)ccc3OC |r,THB:10:9:17:5.6.4| Show InChI InChI=1S/C26H35NO4/c1-23(15-28)14-24-8-9-26(23,30-3)22-25(24)10-11-27(13-16-4-5-16)19(24)12-17-6-7-18(29-2)21(31-22)20(17)25/h6-7,16,19,22,28H,4-5,8-15H2,1-3H3/t19-,22-,23-,24-,25+,26+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM238161 (US10017502, Example 5a | US9394291, 5a) Show SMILES NC(=O)C[C@H]1COc2cc(Cl)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1 |r| Show InChI InChI=1S/C19H16ClN3O5/c20-11-2-3-14-16(6-11)27-8-12(7-17(21)24)23(14)19(26)10-1-4-15-13(5-10)22-18(25)9-28-15/h1-6,12H,7-9H2,(H2,21,24)(H,22,25)/t12-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaron-Beijing Co., Ltd Curated by ChEMBL					Assay Description Binding affinity to recombinant human GR LBD by fluormone GS red-fluorescence polarization assay				J Med Chem 62: 1385-1406 (2019) Article DOI: 10.1021/acs.jmedchem.8b01523 BindingDB Entry DOI: 10.7270/Q2GT5RP6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50463281 (CHEMBL4240426) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)C(=O)c1ccccc1)ccc3OC |r,THB:10:9:17:5.6.4| Show InChI InChI=1S/C32H37NO4/c1-29(27(34)21-7-5-4-6-8-21)19-30-13-14-32(29,36-3)28-31(30)15-16-33(18-20-9-10-20)24(30)17-22-11-12-23(35-2)26(37-28)25(22)31/h4-8,11-12,20,24,28H,9-10,13-19H2,1-3H3/t24-,28-,29-,30-,31+,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human KOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50463296 (CHEMBL4237854) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)OC(=O)C(C)C)ccc3OC |r,THB:10:9:17:5.6.4| Show InChI InChI=1S/C29H39NO5/c1-17(2)24(31)35-26(3)16-27-10-11-29(26,33-5)25-28(27)12-13-30(15-18-6-7-18)21(27)14-19-8-9-20(32-4)23(34-25)22(19)28/h8-9,17-18,21,25H,6-7,10-16H2,1-5H3/t21-,25-,26+,27-,28+,29+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 30 mins by liquid scintillation counting analysis				Bioorg Med Chem 26: 4254-4263 (2018) Article DOI: 10.1016/j.bmc.2018.07.020 BindingDB Entry DOI: 10.7270/Q28W3GZJ
					More data for this Ligand-Target Pair

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