Compile Data Set for Download or QSAR

Found 1676 hits with Last Name = 'hill' 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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50090760 (CHEMBL3581750 | US9259422, 30, R = Ph-BU10119 | US...) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1ccccc1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19| Show InChI InChI=1S/C31H37NO4/c1-28(26(34)20-6-4-3-5-7-20)18-29-12-13-31(28,35-2)27-30(29)14-15-32(17-19-8-9-19)23(29)16-21-10-11-22(33)25(36-27)24(21)30/h3-7,10-11,19,23,26-27,33-34H,8-9,12-18H2,1-2H3/t23-,26-,27-,28-,29-,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50090731 (CHEMBL3581741 | US9259422, 22, R = 3-MePh- BU10112...) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@](C)([C@H](O)c4cccc(C)c4)[C@]2(OC)C=C1)ccc3O |r,wU:17.21,16.16,19.23,1.0,wD:30.36,21.25,7.7,c:39,TLB:21:19:16.1:34.33,THB:10:9:17:4.5.6,20:19:16.1:34.33,(-3.17,.26,;-2.2,.57,;-3.38,2.21,;-2.2,3.8,;-.81,2.99,;.55,3.8,;1.94,2.99,;1.94,1.4,;2.83,1.9,;3.33,.57,;4.33,-.58,;5.84,-.3,;7.2,-.82,;6.92,.69,;2.73,2.15,;.51,2.18,;-.81,1.4,;.55,.57,;.55,-.99,;-.81,-1.79,;-1.89,-2.38,;.53,-2.51,;1.56,-1.84,;.61,-4.05,;1.98,-4.74,;2.06,-6.28,;.77,-7.12,;-.6,-6.42,;-1.63,-7.1,;-.68,-4.89,;-2.2,-.99,;-3.6,-1.56,;-4.57,-.8,;-.88,-.72,;-.88,.28,;.55,5.4,;-.81,6.2,;-2.2,5.4,;-3.26,6.01,)| Show InChI InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36?,37-,38-,39-,40-,41-,42-,43+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50015003 (CHEMBL3262089 | US9259422, 7a, R = Ph-BU127 | US94...) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C31H37NO4/c1-28(34,21-6-4-3-5-7-21)23-17-29-12-13-31(23,35-2)27-30(29)14-15-32(18-19-8-9-19)24(29)16-20-10-11-22(33)26(36-27)25(20)30/h3-7,10-11,19,23-24,27,33-34H,8-9,12-18H2,1-2H3/t23-,24-,27-,28-,29-,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50090755 (CHEMBL3581743 | US9259422, 22, R = 4-FPh- BU10120 ...) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@](C)([C@H](O)c4ccc(F)cc4)[C@]2(OC)C=C1)ccc3O |r,wU:17.21,16.16,19.23,1.0,wD:30.36,21.25,7.7,c:39,TLB:21:19:16.1:34.33,THB:10:9:17:4.5.6,20:19:16.1:34.33,(-3.17,.26,;-2.2,.57,;-3.38,2.21,;-2.2,3.8,;-.81,2.99,;.55,3.8,;1.94,2.99,;1.94,1.4,;2.83,1.9,;3.33,.57,;4.33,-.58,;5.84,-.3,;7.2,-.82,;6.92,.69,;2.73,2.15,;.51,2.18,;-.81,1.4,;.55,.57,;.55,-.99,;-.81,-1.79,;-1.89,-2.38,;.53,-2.51,;1.56,-1.84,;.61,-4.05,;-.68,-4.89,;-.6,-6.42,;.77,-7.12,;.84,-8.35,;2.06,-6.28,;1.98,-4.74,;-2.2,-.99,;-3.6,-1.56,;-4.57,-.8,;-.88,-.72,;-.88,.28,;.55,5.4,;-.81,6.2,;-2.2,5.4,;-3.26,6.01,)| Show InChI InChI=1S/C31H34FNO4/c1-28(26(35)19-5-8-21(32)9-6-19)17-29-11-12-31(28,36-2)27-30(29)13-14-33(16-18-3-4-18)23(29)15-20-7-10-22(34)25(37-27)24(20)30/h5-12,18,23,26-27,34-35H,3-4,13-17H2,1-2H3/t23-,26-,27-,28-,29-,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50090766 (CHEMBL3581756) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1cccc(Cl)c1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19| Show InChI InChI=1S/C31H36ClNO4/c1-28(26(35)20-4-3-5-21(32)14-20)17-29-10-11-31(28,36-2)27-30(29)12-13-33(16-18-6-7-18)23(29)15-19-8-9-22(34)25(37-27)24(19)30/h3-5,8-9,14,18,23,26-27,34-35H,6-7,10-13,15-17H2,1-2H3/t23-,26-,27-,28-,29-,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM85134 (Isofagomine derivative, 7) Show SMILES CCCCCCCCCC1NCC(O)C(O)C1CO Show InChI InChI=1S/C15H31NO3/c1-2-3-4-5-6-7-8-9-13-12(11-17)15(19)14(18)10-16-13/h12-19H,2-11H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
University of British Columbia					Assay Description Fluorescene-based assay using beta-glucocerebrosidase.				Chembiochem 12: 2151-4 (2011) Article DOI: 10.1002/cbic.201100332 BindingDB Entry DOI: 10.7270/Q2WD3Z3W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50090782 (CHEMBL3581754) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1ccc(F)cc1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19| Show InChI InChI=1S/C31H36FNO4/c1-28(26(35)19-5-8-21(32)9-6-19)17-29-11-12-31(28,36-2)27-30(29)13-14-33(16-18-3-4-18)23(29)15-20-7-10-22(34)25(37-27)24(20)30/h5-10,18,23,26-27,34-35H,3-4,11-17H2,1-2H3/t23-,26-,27-,28-,29-,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50090694 (CHEMBL3581740 | US9259422, 22, R = Ph-BU128 | US94...) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@](C)([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:17.21,16.16,19.23,1.0,wD:29.35,21.25,7.7,c:38,TLB:21:19:16.1:33.32,THB:10:9:17:4.5.6,20:19:16.1:33.32,(-3.17,.26,;-2.2,.57,;-3.38,2.21,;-2.2,3.8,;-.81,2.99,;.55,3.8,;1.94,2.99,;1.94,1.4,;2.83,1.9,;3.33,.57,;4.33,-.58,;5.84,-.3,;7.2,-.82,;6.92,.69,;2.73,2.15,;.51,2.18,;-.81,1.4,;.55,.57,;.55,-.99,;-.81,-1.79,;-1.89,-2.38,;.53,-2.51,;1.56,-1.84,;.61,-4.05,;-.68,-4.89,;-.6,-6.42,;.77,-7.12,;2.06,-6.28,;1.98,-4.74,;-2.2,-.99,;-3.6,-1.56,;-4.57,-.8,;-.88,-.72,;-.88,.28,;.55,5.4,;-.81,6.2,;-2.2,5.4,;-3.26,6.01,)| Show InChI InChI=1S/C19H23N5O4/c1-10(2)11-5-3-4-6-12(11)23-17-14-18(21-8-20-17)24(9-22-14)19-16(27)15(26)13(7-25)28-19/h3-6,8-10,13,15-16,19,25-27H,7H2,1-2H3,(H,20,21,23)/t13?,15?,16?,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50090694 (CHEMBL3581740 | US9259422, 22, R = Ph-BU128 | US94...) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@](C)([C@H](O)c4ccccc4)[C@]2(OC)C=C1)ccc3O |r,wU:17.21,16.16,19.23,1.0,wD:29.35,21.25,7.7,c:38,TLB:21:19:16.1:33.32,THB:10:9:17:4.5.6,20:19:16.1:33.32,(-3.17,.26,;-2.2,.57,;-3.38,2.21,;-2.2,3.8,;-.81,2.99,;.55,3.8,;1.94,2.99,;1.94,1.4,;2.83,1.9,;3.33,.57,;4.33,-.58,;5.84,-.3,;7.2,-.82,;6.92,.69,;2.73,2.15,;.51,2.18,;-.81,1.4,;.55,.57,;.55,-.99,;-.81,-1.79,;-1.89,-2.38,;.53,-2.51,;1.56,-1.84,;.61,-4.05,;-.68,-4.89,;-.6,-6.42,;.77,-7.12,;2.06,-6.28,;1.98,-4.74,;-2.2,-.99,;-3.6,-1.56,;-4.57,-.8,;-.88,-.72,;-.88,.28,;.55,5.4,;-.81,6.2,;-2.2,5.4,;-3.26,6.01,)| Show InChI InChI=1S/C19H23N5O4/c1-10(2)11-5-3-4-6-12(11)23-17-14-18(21-8-20-17)24(9-22-14)19-16(27)15(26)13(7-25)28-19/h3-6,8-10,13,15-16,19,25-27H,7H2,1-2H3,(H,20,21,23)/t13?,15?,16?,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50265728 (CHEMBL4081121) Show SMILES Cc1cccc(c1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1cc(C)ccn1)cnn3-c1ccc(F)cc1 |r,t:14| Show InChI InChI=1S/C30H27FN4O3S/c1-20-4-3-5-26(14-20)39(37,38)34-13-11-23-16-28-22(18-33-35(28)25-8-6-24(31)7-9-25)17-30(23,19-34)29(36)27-15-21(2)10-12-32-27/h3-10,12,14-16,18H,11,13,17,19H2,1-2H3/t30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corcept Therapeutics Curated by ChEMBL					Assay Description Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 60: 3405-3421 (2017) Article DOI: 10.1021/acs.jmedchem.7b00162 BindingDB Entry DOI: 10.7270/Q27083X5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50354578 (BUPRENORPHINE | US10752592, Compound buprenorphine...) Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r| Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.0890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50090767 (CHEMBL3581757) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1cccc(F)c1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19| Show InChI InChI=1S/C31H36FNO4/c1-28(26(35)20-4-3-5-21(32)14-20)17-29-10-11-31(28,36-2)27-30(29)12-13-33(16-18-6-7-18)23(29)15-19-8-9-22(34)25(37-27)24(19)30/h3-5,8-9,14,18,23,26-27,34-35H,6-7,10-13,15-17H2,1-2H3/t23-,26-,27-,28-,29-,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM18627 ((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...) Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20| Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corcept Therapeutics Curated by ChEMBL					Assay Description Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 60: 3405-3421 (2017) Article DOI: 10.1021/acs.jmedchem.7b00162 BindingDB Entry DOI: 10.7270/Q27083X5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50090766 (CHEMBL3581756) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1cccc(Cl)c1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19| Show InChI InChI=1S/C31H36ClNO4/c1-28(26(35)20-4-3-5-21(32)14-20)17-29-10-11-31(28,36-2)27-30(29)12-13-33(16-18-6-7-18)23(29)15-19-8-9-22(34)25(37-27)24(19)30/h3-5,8-9,14,18,23,26-27,34-35H,6-7,10-13,15-17H2,1-2H3/t23-,26-,27-,28-,29-,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50090765 (CHEMBL3581752) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1cccc(C)c1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19| Show InChI InChI=1S/C32H39NO4/c1-19-5-4-6-22(15-19)27(35)29(2)18-30-11-12-32(29,36-3)28-31(30)13-14-33(17-20-7-8-20)24(30)16-21-9-10-23(34)26(37-28)25(21)31/h4-6,9-10,15,20,24,27-28,34-35H,7-8,11-14,16-18H2,1-3H3/t24-,27-,28-,29-,30-,31+,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50090782 (CHEMBL3581754) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1ccc(F)cc1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19| Show InChI InChI=1S/C31H36FNO4/c1-28(26(35)19-5-8-21(32)9-6-19)17-29-11-12-31(28,36-2)27-30(29)13-14-33(16-18-3-4-18)23(29)15-20-7-10-22(34)25(37-27)24(20)30/h5-10,18,23,26-27,34-35H,3-4,11-17H2,1-2H3/t23-,26-,27-,28-,29-,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50090760 (CHEMBL3581750 | US9259422, 30, R = Ph-BU10119 | US...) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1ccccc1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19| Show InChI InChI=1S/C31H37NO4/c1-28(26(34)20-6-4-3-5-7-20)18-29-12-13-31(28,35-2)27-30(29)14-15-32(17-19-8-9-19)23(29)16-21-10-11-22(33)25(36-27)24(21)30/h3-7,10-11,19,23,26-27,33-34H,8-9,12-18H2,1-2H3/t23-,26-,27-,28-,29-,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50265798 (CHEMBL3736358) Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cccc(c1)C(F)(F)F)C(=O)c1ccccn1 |r,c:19| Show InChI InChI=1S/C29H22F4N4O3S/c30-22-7-9-23(10-8-22)37-26-15-20-11-13-36(41(39,40)24-5-3-4-21(14-24)29(31,32)33)18-28(20,16-19(26)17-35-37)27(38)25-6-1-2-12-34-25/h1-10,12,14-15,17H,11,13,16,18H2/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corcept Therapeutics Curated by ChEMBL					Assay Description Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 60: 3405-3421 (2017) Article DOI: 10.1021/acs.jmedchem.7b00162 BindingDB Entry DOI: 10.7270/Q27083X5
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50265798 (CHEMBL3736358) Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cccc(c1)C(F)(F)F)C(=O)c1ccccn1 |r,c:19| Show InChI InChI=1S/C29H22F4N4O3S/c30-22-7-9-23(10-8-22)37-26-15-20-11-13-36(41(39,40)24-5-3-4-21(14-24)29(31,32)33)18-28(20,16-19(26)17-35-37)27(38)25-6-1-2-12-34-25/h1-10,12,14-15,17H,11,13,16,18H2/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corcept Therapeutics Curated by ChEMBL					Assay Description Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay				Bioorg Med Chem Lett 25: 5720-5 (2015) Article DOI: 10.1016/j.bmcl.2015.10.097 BindingDB Entry DOI: 10.7270/Q2ST7STZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50090765 (CHEMBL3581752) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1cccc(C)c1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19| Show InChI InChI=1S/C32H39NO4/c1-19-5-4-6-22(15-19)27(35)29(2)18-30-11-12-32(29,36-3)28-31(30)13-14-33(17-20-7-8-20)24(30)16-21-9-10-23(34)26(37-28)25(21)31/h4-6,9-10,15,20,24,27-28,34-35H,7-8,11-14,16-18H2,1-3H3/t24-,27-,28-,29-,30-,31+,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Glucagon-like peptide 1 receptor (Homo sapiens (Human))	BDBM50231952 (CHEMBL4081554) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)[C@H](CS)C(N)=O |r| Show InChI InChI=1S/C184H281N49O59S2/c1-16-94(10)147(178(287)213-115(52-58-144(255)256)164(273)218-122(73-101-77-195-106-39-24-23-38-103(101)106)169(278)215-117(68-90(2)3)166(275)205-108(41-26-28-61-186)159(268)219-123(75-134(189)241)155(264)198-79-135(242)196-83-139(246)230-63-31-44-130(230)176(285)224-127(86-236)175(284)222-125(84-234)156(265)200-80-136(243)202-96(12)181(290)232-65-32-45-131(232)183(292)233-66-33-46-132(233)182(291)231-64-30-43-129(231)150(259)104(88-293)151(190)260)228-171(280)120(71-99-34-19-17-20-35-99)217-167(276)118(69-91(4)5)214-160(269)109(42-29-62-194-184(191)192)212-177(286)146(93(8)9)227-152(261)95(11)203-157(266)112(49-55-141(249)250)208-162(271)113(50-56-142(251)252)209-163(272)114(51-57-143(253)254)210-165(274)116(59-67-294-15)211-161(270)111(47-53-133(188)240)207-158(267)107(40-25-27-60-185)206-173(282)126(85-235)223-168(277)119(70-92(6)7)216-170(279)124(76-145(257)258)220-174(283)128(87-237)225-180(289)149(98(14)239)229-172(281)121(72-100-36-21-18-22-37-100)221-179(288)148(97(13)238)226-138(245)82-199-154(263)110(48-54-140(247)248)204-137(244)81-197-153(262)105(187)74-102-78-193-89-201-102/h17-24,34-39,77-78,89-98,104-105,107-132,146-149,195,234-239,293H,16,25-33,40-76,79-88,185-187H2,1-15H3,(H2,188,240)(H2,189,241)(H2,190,260)(H,193,201)(H,196,242)(H,197,262)(H,198,264)(H,199,263)(H,200,265)(H,202,243)(H,203,266)(H,204,244)(H,205,275)(H,206,282)(H,207,267)(H,208,271)(H,209,272)(H,210,274)(H,211,270)(H,212,286)(H,213,287)(H,214,269)(H,215,278)(H,216,279)(H,217,276)(H,218,273)(H,219,268)(H,220,283)(H,221,288)(H,222,284)(H,223,277)(H,224,285)(H,225,289)(H,226,245)(H,227,261)(H,228,280)(H,229,281)(H,247,248)(H,249,250)(H,251,252)(H,253,254)(H,255,256)(H,257,258)(H4,191,192,194)/t94-,95-,96-,97+,98+,104-,105-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,146-,147-,148-,149-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Displacement of [125I]-GLP (7 to 36 residues) from human GLP1R expressed in CHO cell membranes incubated for 30 mins measured after 10 hrs by scintil...				Eur J Med Chem 127: 703-714 (2017) Article DOI: 10.1016/j.ejmech.2016.10.044 BindingDB Entry DOI: 10.7270/Q2T155W1
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50090768 (CHEMBL3581762) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1ccoc1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19| Show InChI InChI=1S/C29H35NO5/c1-26(24(32)19-7-12-34-15-19)16-27-8-9-29(26,33-2)25-28(27)10-11-30(14-17-3-4-17)21(27)13-18-5-6-20(31)23(35-25)22(18)28/h5-7,12,15,17,21,24-25,31-32H,3-4,8-11,13-14,16H2,1-2H3/t21-,24-,25-,26-,27-,28+,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50090769 (CHEMBL3581751) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1ccccc1C)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19| Show InChI InChI=1S/C32H39NO4/c1-19-6-4-5-7-22(19)27(35)29(2)18-30-12-13-32(29,36-3)28-31(30)14-15-33(17-20-8-9-20)24(30)16-21-10-11-23(34)26(37-28)25(21)31/h4-7,10-11,20,24,27-28,34-35H,8-9,12-18H2,1-3H3/t24-,27-,28-,29-,30-,31+,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50164899 (5-Iodo-thiophene-2-carboxylic acid ((2R,3R)-2-pyri...) Show SMILES Ic1ccc(s1)C(=O)N[C@@H]1C2CCN(CC2)[C@@H]1Cc1cccnc1 |wU:9.9,16.19,(12.83,1.4,;12.35,-.05,;13.24,-1.31,;12.35,-2.57,;10.88,-2.08,;10.88,-.54,;9.55,-2.85,;9.55,-4.39,;8.22,-2.08,;6.87,-2.85,;5.54,-2.06,;4.77,-3.39,;6.1,-4.16,;5.54,-5.14,;4.23,-4.39,;4.23,-2.85,;6.87,-4.39,;8.22,-5.16,;8.2,-6.7,;6.87,-7.45,;6.87,-8.99,;8.2,-9.76,;9.55,-8.99,;9.53,-7.45,)| Show InChI InChI=1S/C18H20IN3OS/c19-16-4-3-15(24-16)18(23)21-17-13-5-8-22(9-6-13)14(17)10-12-2-1-7-20-11-12/h1-4,7,11,13-14,17H,5-6,8-10H2,(H,21,23)/t14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Targacept, Inc. Curated by ChEMBL					Assay Description Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus				Bioorg Med Chem Lett 15: 2073-7 (2005) Article DOI: 10.1016/j.bmcl.2005.02.045 BindingDB Entry DOI: 10.7270/Q2GT5NX3
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50265797 (CHEMBL4088286) Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cc(F)cc(F)c1)C(=O)c1ccccn1 |r,c:19| Show InChI InChI=1S/C28H21F3N4O3S/c29-20-4-6-23(7-5-20)35-26-11-19-8-10-34(39(37,38)24-13-21(30)12-22(31)14-24)17-28(19,15-18(26)16-33-35)27(36)25-3-1-2-9-32-25/h1-7,9,11-14,16H,8,10,15,17H2/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corcept Therapeutics Curated by ChEMBL					Assay Description Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 60: 3405-3421 (2017) Article DOI: 10.1021/acs.jmedchem.7b00162 BindingDB Entry DOI: 10.7270/Q27083X5
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50499246 (CHEMBL3735376) Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(F)cc1)C(=O)c1ccccn1 |r,c:19| Show InChI InChI=1S/C28H22F2N4O3S/c29-21-4-8-23(9-5-21)34-26-15-20-12-14-33(38(36,37)24-10-6-22(30)7-11-24)18-28(20,16-19(26)17-32-34)27(35)25-3-1-2-13-31-25/h1-11,13,15,17H,12,14,16,18H2/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corcept Therapeutics Curated by ChEMBL					Assay Description Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay				Bioorg Med Chem Lett 25: 5720-5 (2015) Article DOI: 10.1016/j.bmcl.2015.10.097 BindingDB Entry DOI: 10.7270/Q2ST7STZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50354578 (BUPRENORPHINE | US10752592, Compound buprenorphine...) Show SMILES CO[C@@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45 |r| Show InChI InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50090767 (CHEMBL3581757) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1cccc(F)c1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19| Show InChI InChI=1S/C31H36FNO4/c1-28(26(35)20-4-3-5-21(32)14-20)17-29-10-11-31(28,36-2)27-30(29)12-13-33(16-18-6-7-18)23(29)15-19-8-9-22(34)25(37-27)24(19)30/h3-5,8-9,14,18,23,26-27,34-35H,6-7,10-13,15-17H2,1-2H3/t23-,26-,27-,28-,29-,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50090773 (CHEMBL3581753) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1ccc(C)cc1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19| Show InChI InChI=1S/C32H39NO4/c1-19-4-8-21(9-5-19)27(35)29(2)18-30-12-13-32(29,36-3)28-31(30)14-15-33(17-20-6-7-20)24(30)16-22-10-11-23(34)26(37-28)25(22)31/h4-5,8-11,20,24,27-28,34-35H,6-7,12-18H2,1-3H3/t24-,27-,28-,29-,30-,31+,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50090768 (CHEMBL3581762) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1ccoc1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19| Show InChI InChI=1S/C29H35NO5/c1-26(24(32)19-7-12-34-15-19)16-27-8-9-29(26,33-2)25-28(27)10-11-30(14-17-3-4-17)21(27)13-18-5-6-20(31)23(35-25)22(18)28/h5-7,12,15,17,21,24-25,31-32H,3-4,8-11,13-14,16H2,1-2H3/t21-,24-,25-,26-,27-,28+,29+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50265801 (CHEMBL3735851) Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cccc(c1)C#N)C(=O)c1ccccn1 |r,c:19| Show InChI InChI=1S/C29H22FN5O3S/c30-23-7-9-24(10-8-23)35-27-15-22-11-13-34(39(37,38)25-5-3-4-20(14-25)17-31)19-29(22,16-21(27)18-33-35)28(36)26-6-1-2-12-32-26/h1-10,12,14-15,18H,11,13,16,19H2/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corcept Therapeutics Curated by ChEMBL					Assay Description Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay				Bioorg Med Chem Lett 25: 5720-5 (2015) Article DOI: 10.1016/j.bmcl.2015.10.097 BindingDB Entry DOI: 10.7270/Q2ST7STZ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50265804 (CHEMBL3735124) Show SMILES Cc1cccc(c1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1ccccn1)cnn3-c1ccc(F)cc1 |r,t:14| Show InChI InChI=1S/C29H25FN4O3S/c1-20-5-4-6-25(15-20)38(36,37)33-14-12-22-16-27-21(18-32-34(27)24-10-8-23(30)9-11-24)17-29(22,19-33)28(35)26-7-2-3-13-31-26/h2-11,13,15-16,18H,12,14,17,19H2,1H3/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corcept Therapeutics Curated by ChEMBL					Assay Description Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay				Bioorg Med Chem Lett 25: 5720-5 (2015) Article DOI: 10.1016/j.bmcl.2015.10.097 BindingDB Entry DOI: 10.7270/Q2ST7STZ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50499255 (CHEMBL3735008) Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1cscn1 |r,c:19| Show InChI InChI=1S/C27H20F4N4O3S2/c28-20-3-5-21(6-4-20)35-24-11-19-9-10-34(40(37,38)22-7-1-18(2-8-22)27(29,30)31)15-26(19,12-17(24)13-33-35)25(36)23-14-39-16-32-23/h1-8,11,13-14,16H,9-10,12,15H2/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corcept Therapeutics Curated by ChEMBL					Assay Description Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay				Bioorg Med Chem Lett 25: 5720-5 (2015) Article DOI: 10.1016/j.bmcl.2015.10.097 BindingDB Entry DOI: 10.7270/Q2ST7STZ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50265729 (CHEMBL4105376) Show SMILES Cc1ccc(nc1)C(=O)[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1cccc(C)c1 |r,c:16| Show InChI InChI=1S/C30H27FN4O3S/c1-20-4-3-5-26(14-20)39(37,38)34-13-12-23-15-28-22(18-33-35(28)25-9-7-24(31)8-10-25)16-30(23,19-34)29(36)27-11-6-21(2)17-32-27/h3-11,14-15,17-18H,12-13,16,19H2,1-2H3/t30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corcept Therapeutics Curated by ChEMBL					Assay Description Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 60: 3405-3421 (2017) Article DOI: 10.1021/acs.jmedchem.7b00162 BindingDB Entry DOI: 10.7270/Q27083X5
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50265796 (CHEMBL4067017) Show SMILES Cc1ccnc(c1)C(=O)[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1ccc(F)c(F)c1 |r,c:16| Show InChI InChI=1S/C29H23F3N4O3S/c1-18-8-10-33-26(12-18)28(37)29-15-19-16-34-36(22-4-2-21(30)3-5-22)27(19)13-20(29)9-11-35(17-29)40(38,39)23-6-7-24(31)25(32)14-23/h2-8,10,12-14,16H,9,11,15,17H2,1H3/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corcept Therapeutics Curated by ChEMBL					Assay Description Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 60: 3405-3421 (2017) Article DOI: 10.1021/acs.jmedchem.7b00162 BindingDB Entry DOI: 10.7270/Q27083X5
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50265801 (CHEMBL3735851) Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1cccc(c1)C#N)C(=O)c1ccccn1 |r,c:19| Show InChI InChI=1S/C29H22FN5O3S/c30-23-7-9-24(10-8-23)35-27-15-22-11-13-34(39(37,38)25-5-3-4-20(14-25)17-31)19-29(22,16-21(27)18-33-35)28(36)26-6-1-2-12-32-26/h1-10,12,14-15,18H,11,13,16,19H2/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corcept Therapeutics Curated by ChEMBL					Assay Description Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 60: 3405-3421 (2017) Article DOI: 10.1021/acs.jmedchem.7b00162 BindingDB Entry DOI: 10.7270/Q27083X5
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50265804 (CHEMBL3735124) Show SMILES Cc1cccc(c1)S(=O)(=O)N1CCC2=Cc3c(C[C@@]2(C1)C(=O)c1ccccn1)cnn3-c1ccc(F)cc1 |r,t:14| Show InChI InChI=1S/C29H25FN4O3S/c1-20-5-4-6-25(15-20)38(36,37)33-14-12-22-16-27-21(18-32-34(27)24-10-8-23(30)9-11-24)17-29(22,19-33)28(35)26-7-2-3-13-31-26/h2-11,13,15-16,18H,12,14,17,19H2,1H3/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corcept Therapeutics Curated by ChEMBL					Assay Description Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 60: 3405-3421 (2017) Article DOI: 10.1021/acs.jmedchem.7b00162 BindingDB Entry DOI: 10.7270/Q27083X5
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50265803 (CHEMBL4077976) Show SMILES Cc1ccnc(c1)C(=O)[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1cc(F)cc(F)c1 |r,c:16| Show InChI InChI=1S/C29H23F3N4O3S/c1-18-6-8-33-26(10-18)28(37)29-15-19-16-34-36(24-4-2-21(30)3-5-24)27(19)11-20(29)7-9-35(17-29)40(38,39)25-13-22(31)12-23(32)14-25/h2-6,8,10-14,16H,7,9,15,17H2,1H3/t29-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corcept Therapeutics Curated by ChEMBL					Assay Description Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 60: 3405-3421 (2017) Article DOI: 10.1021/acs.jmedchem.7b00162 BindingDB Entry DOI: 10.7270/Q27083X5
					More data for this Ligand-Target Pair
Melanocortin receptor 4 (Homo sapiens (Human))	BDBM50128358 (CHEMBL3629347) Show SMILES CCCCC(NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C78H111N21O19/c1-5-6-19-52(91-75(116)61(41-101)97-72(113)57(34-46-24-26-49(103)27-25-46)94-74(115)60(40-100)88-44(4)102)68(109)92-54(28-29-64(105)106)70(111)96-59(36-48-38-83-42-87-48)73(114)93-56(33-45-16-8-7-9-17-45)71(112)90-53(22-14-31-84-78(81)82)69(110)95-58(35-47-37-85-51-20-11-10-18-50(47)51)67(108)86-39-63(104)89-55(21-12-13-30-79)77(118)99-32-15-23-62(99)76(117)98-65(43(2)3)66(80)107/h7-11,16-18,20,24-27,37-38,42-43,52-62,65,85,100-101,103H,5-6,12-15,19,21-23,28-36,39-41,79H2,1-4H3,(H2,80,107)(H,83,87)(H,86,108)(H,88,102)(H,89,104)(H,90,112)(H,91,116)(H,92,109)(H,93,114)(H,94,115)(H,95,110)(H,96,111)(H,97,113)(H,98,117)(H,105,106)(H4,81,82,84)/t52?,53-,54-,55-,56+,57-,58-,59-,60-,61-,62-,65-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Inhibition of human recombinant melanocortin 4 receptor expressed in CHO cells				J Med Chem 60: 349-361 (2017) Article DOI: 10.1021/acs.jmedchem.6b01422 BindingDB Entry DOI: 10.7270/Q27M0B6T
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50265730 (CHEMBL4101325) Show SMILES Cc1ccnc(c1)C(=O)[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1cccc(c1)C#N |r,c:16| Show InChI InChI=1S/C30H24FN5O3S/c1-20-9-11-33-27(13-20)29(37)30-16-22-18-34-36(25-7-5-24(31)6-8-25)28(22)15-23(30)10-12-35(19-30)40(38,39)26-4-2-3-21(14-26)17-32/h2-9,11,13-15,18H,10,12,16,19H2,1H3/t30-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corcept Therapeutics Curated by ChEMBL					Assay Description Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 60: 3405-3421 (2017) Article DOI: 10.1021/acs.jmedchem.7b00162 BindingDB Entry DOI: 10.7270/Q27083X5
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50090755 (CHEMBL3581743 | US9259422, 22, R = 4-FPh- BU10120 ...) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@](C)([C@H](O)c4ccc(F)cc4)[C@]2(OC)C=C1)ccc3O |r,wU:17.21,16.16,19.23,1.0,wD:30.36,21.25,7.7,c:39,TLB:21:19:16.1:34.33,THB:10:9:17:4.5.6,20:19:16.1:34.33,(-3.17,.26,;-2.2,.57,;-3.38,2.21,;-2.2,3.8,;-.81,2.99,;.55,3.8,;1.94,2.99,;1.94,1.4,;2.83,1.9,;3.33,.57,;4.33,-.58,;5.84,-.3,;7.2,-.82,;6.92,.69,;2.73,2.15,;.51,2.18,;-.81,1.4,;.55,.57,;.55,-.99,;-.81,-1.79,;-1.89,-2.38,;.53,-2.51,;1.56,-1.84,;.61,-4.05,;-.68,-4.89,;-.6,-6.42,;.77,-7.12,;.84,-8.35,;2.06,-6.28,;1.98,-4.74,;-2.2,-.99,;-3.6,-1.56,;-4.57,-.8,;-.88,-.72,;-.88,.28,;.55,5.4,;-.81,6.2,;-2.2,5.4,;-3.26,6.01,)| Show InChI InChI=1S/C31H34FNO4/c1-28(26(35)19-5-8-21(32)9-6-19)17-29-11-12-31(28,36-2)27-30(29)13-14-33(16-18-3-4-18)23(29)15-20-7-10-22(34)25(37-27)24(20)30/h5-12,18,23,26-27,34-35H,3-4,13-17H2,1-2H3/t23-,26-,27-,28-,29-,30+,31+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50090773 (CHEMBL3581753) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@](C)(C1)[C@H](O)c1ccc(C)cc1)ccc3O |r,TLB:26:23:16.1:18.19,THB:10:9:17:4.5.6,24:23:16.1:18.19| Show InChI InChI=1S/C32H39NO4/c1-19-4-8-21(9-5-19)27(35)29(2)18-30-12-13-32(29,36-3)28-31(30)14-15-33(17-20-6-7-20)24(30)16-22-10-11-23(34)26(37-28)25(22)31/h4-5,8-11,20,24,27-28,34-35H,6-7,12-18H2,1-3H3/t24-,27-,28-,29-,30-,31+,32+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50499257 (CHEMBL3736457) Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1cocn1 |r,c:19| Show InChI InChI=1S/C27H20F4N4O4S/c28-20-3-5-21(6-4-20)35-24-11-19-9-10-34(40(37,38)22-7-1-18(2-8-22)27(29,30)31)15-26(19,12-17(24)13-33-35)25(36)23-14-39-16-32-23/h1-8,11,13-14,16H,9-10,12,15H2/t26-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corcept Therapeutics Curated by ChEMBL					Assay Description Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay				Bioorg Med Chem Lett 25: 5720-5 (2015) Article DOI: 10.1016/j.bmcl.2015.10.097 BindingDB Entry DOI: 10.7270/Q2ST7STZ
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50265674 (CHEMBL3734774) Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1ccccn1 |r,c:19| Show InChI InChI=1S/C29H22F4N4O3S/c30-22-6-8-23(9-7-22)37-26-15-21-12-14-36(41(39,40)24-10-4-20(5-11-24)29(31,32)33)18-28(21,16-19(26)17-35-37)27(38)25-3-1-2-13-34-25/h1-11,13,15,17H,12,14,16,18H2/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corcept Therapeutics Curated by ChEMBL					Assay Description Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay				Bioorg Med Chem Lett 25: 5720-5 (2015) Article DOI: 10.1016/j.bmcl.2015.10.097 BindingDB Entry DOI: 10.7270/Q2ST7STZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50001885 ((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Ability to inhibit the binding of iodine-125-labelled lysergic acid diethylamide([125I]-LSD) to the S-2A serotonin receptor.				J Med Chem 38: 708-14 (1995) BindingDB Entry DOI: 10.7270/Q2PG1SCG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50015003 (CHEMBL3262089 | US9259422, 7a, R = Ph-BU127 | US94...) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@](C)(O)c1ccccc1)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C31H37NO4/c1-28(34,21-6-4-3-5-7-21)23-17-29-12-13-31(23,35-2)27-30(29)14-15-32(18-19-8-9-19)24(29)16-20-10-11-22(33)26(36-27)25(20)30/h3-7,10-11,19,23-24,27,33-34H,8-9,12-18H2,1-2H3/t23-,24-,27-,28-,29-,30+,31-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate | 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Newcastle Curated by ChEMBL					Assay Description Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in CHO cells after 120 mins by scintillation counting				J Med Chem 60: 349-361 (2017) Article DOI: 10.1021/acs.jmedchem.6b01422 BindingDB Entry DOI: 10.7270/Q27M0B6T
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50499256 (CHEMBL3736390) Show SMILES Fc1ccc(cc1)-n1ncc2C[C@@]3(CN(CCC3=Cc12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(=O)c1ccco1 |r,c:19| Show InChI InChI=1S/C28H21F4N3O4S/c29-21-5-7-22(8-6-21)35-24-14-20-11-12-34(40(37,38)23-9-3-19(4-10-23)28(30,31)32)17-27(20,15-18(24)16-33-35)26(36)25-2-1-13-39-25/h1-10,13-14,16H,11-12,15,17H2/t27-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corcept Therapeutics Curated by ChEMBL					Assay Description Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay				Bioorg Med Chem Lett 25: 5720-5 (2015) Article DOI: 10.1016/j.bmcl.2015.10.097 BindingDB Entry DOI: 10.7270/Q2ST7STZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50090731 (CHEMBL3581741 | US9259422, 22, R = 3-MePh- BU10112...) Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@](C)([C@H](O)c4cccc(C)c4)[C@]2(OC)C=C1)ccc3O |r,wU:17.21,16.16,19.23,1.0,wD:30.36,21.25,7.7,c:39,TLB:21:19:16.1:34.33,THB:10:9:17:4.5.6,20:19:16.1:34.33,(-3.17,.26,;-2.2,.57,;-3.38,2.21,;-2.2,3.8,;-.81,2.99,;.55,3.8,;1.94,2.99,;1.94,1.4,;2.83,1.9,;3.33,.57,;4.33,-.58,;5.84,-.3,;7.2,-.82,;6.92,.69,;2.73,2.15,;.51,2.18,;-.81,1.4,;.55,.57,;.55,-.99,;-.81,-1.79,;-1.89,-2.38,;.53,-2.51,;1.56,-1.84,;.61,-4.05,;1.98,-4.74,;2.06,-6.28,;.77,-7.12,;-.6,-6.42,;-1.63,-7.1,;-.68,-4.89,;-2.2,-.99,;-3.6,-1.56,;-4.57,-.8,;-.88,-.72,;-.88,.28,;.55,5.4,;-.81,6.2,;-2.2,5.4,;-3.26,6.01,)| Show InChI InChI=1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)/t36?,37-,38-,39-,40-,41-,42-,43+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes incubated for 1 hr by beta counting method				J Med Chem 58: 4242-9 (2015) Article DOI: 10.1021/acs.jmedchem.5b00130 BindingDB Entry DOI: 10.7270/Q2ST7RKD
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50265806 (CHEMBL4074627) Show SMILES CCc1ccnc(c1)C(=O)[C@@]12CN(CCC1=Cc1c(C2)cnn1-c1ccc(F)cc1)S(=O)(=O)c1cccc(c1)C#N |r,c:17| Show InChI InChI=1S/C31H26FN5O3S/c1-2-21-10-12-34-28(15-21)30(38)31-17-23-19-35-37(26-8-6-25(32)7-9-26)29(23)16-24(31)11-13-36(20-31)41(39,40)27-5-3-4-22(14-27)18-33/h3-10,12,14-16,19H,2,11,13,17,20H2,1H3/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Corcept Therapeutics Curated by ChEMBL					Assay Description Displacement of fluormone GS Red from human glucocorticoid receptor after 4 hrs by fluorescence polarization assay				J Med Chem 60: 3405-3421 (2017) Article DOI: 10.1021/acs.jmedchem.7b00162 BindingDB Entry DOI: 10.7270/Q27083X5
					More data for this Ligand-Target Pair

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