Compile Data Set for Download or QSAR

Found 403 hits with Last Name = 'wang' and Initial = 'jw'   

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
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of rat brain AChE by Ellman's method				Bioorg Med Chem Lett 20: 1532-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.097 BindingDB Entry DOI: 10.7270/Q29K4BCV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50313194 (1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...) Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cccc4ccccc34)cc21 |r| Show InChI InChI=1S/C24H25N3O2/c1-24-13-14-26(2)22(24)27(3)21-12-11-17(15-19(21)24)29-23(28)25-20-10-6-8-16-7-4-5-9-18(16)20/h4-12,15,22H,13-14H2,1-3H3,(H,25,28)/t22-,24+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of rat brain AChE by Ellman's method				Bioorg Med Chem Lett 20: 1532-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.097 BindingDB Entry DOI: 10.7270/Q29K4BCV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50413835 (CHEMBL5282046) Show SMILES CCCN1CCN(CC1)c1ncc(CCN(C)CCCCCc2ccccc2)s1 Show InChI InChI=1S/C24H38N4S/c1-3-14-27-17-19-28(20-18-27)24-25-21-23(29-24)13-16-26(2)15-9-5-8-12-22-10-6-4-7-11-22/h4,6-7,10-11,21H,3,5,8-9,12-20H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-MK299 from human neuropeptide Y Y1 receptor in human SK-N-MC cells measured after 90 mins by scintillation counting analysis				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50415761 (CHEMBL5285102) Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)\C=C\c2ccccc2Cl)cc1 Show InChI InChI=1S/C20H20ClFN2O/c21-19-4-2-1-3-17(19)7-10-20(25)24-13-11-23(12-14-24)15-16-5-8-18(22)9-6-16/h1-10H,11-15H2/b10-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-MK299 from human neuropeptide Y Y2 receptor expressed in CHO cells measured after 90 mins by scintillation counting analysis				Citation and Details
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50014107 ((-)-(4-Methoxy-phenyl)-carbamic acid 1,3a,8-trimet...) Show SMILES COc1ccc(NC(=O)Oc2ccc3N(C)[C@H]4N(C)CC[C@@]4(C)c3c2)cc1 Show InChI InChI=1S/C21H25N3O3/c1-21-11-12-23(2)19(21)24(3)18-10-9-16(13-17(18)21)27-20(25)22-14-5-7-15(26-4)8-6-14/h5-10,13,19H,11-12H2,1-4H3,(H,22,25)/t19-,21+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of rat plasma BChE by Ellman's method				Bioorg Med Chem Lett 20: 1532-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.097 BindingDB Entry DOI: 10.7270/Q29K4BCV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50414478 (CHEMBL5285941) Show SMILES [#7]-[#6]-1-[#6]-[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6](-[#6]-c2ccccc2)-[#7]-[#6](=O)C2([#6]-c3ccccc3-[#6]2)[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O Show InChI InChI=1S/C47H65N15O11S2/c48-28-23-74-75-24-33(44(72)62-17-7-13-34(62)43(71)57-29(12-6-16-54-46(52)53)39(67)55-22-37(51)65)59-42(70)32(19-36(50)64)58-40(68)30(14-15-35(49)63)56-41(69)31(18-25-8-2-1-3-9-25)60-45(73)47(61-38(28)66)20-26-10-4-5-11-27(26)21-47/h1-5,8-11,28-34H,6-7,12-24,48H2,(H2,49,63)(H2,50,64)(H2,51,65)(H,55,67)(H,56,69)(H,57,71)(H,58,68)(H,59,70)(H,60,73)(H,61,66)(H4,52,53,54)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-MK299 from human neuropeptide Y Y1 receptor in human SK-N-MC cells measured after 90 mins by scintillation counting analysis				Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50313190 (1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...) Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cccc(Cl)c3C)cc21 |r| Show InChI InChI=1S/C21H24ClN3O2/c1-13-16(22)6-5-7-17(13)23-20(26)27-14-8-9-18-15(12-14)21(2)10-11-24(3)19(21)25(18)4/h5-9,12,19H,10-11H2,1-4H3,(H,23,26)/t19-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of rat brain AChE by Ellman's method				Bioorg Med Chem Lett 20: 1532-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.097 BindingDB Entry DOI: 10.7270/Q29K4BCV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50414272 (CHEMBL5278608) Show SMILES O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1 |TLB:4:3:6.5.10:8,10:5:12:9.8.11,10:9:12:6.5.4,2:3:6.5.10:8,THB:4:5:8:12.3.11,11:3:6:10.9.8,11:9:6:12.4.3,2:3:6:10.9.8| Show InChI InChI=1S/C18H23NO/c20-17(19-16-4-2-1-3-5-16)12-18-9-13-6-14(10-18)8-15(7-13)11-18/h1-5,13-15H,6-12H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-MK299 from human neuropeptide Y Y1 receptor in human SK-N-MC cells measured after 90 mins by scintillation counting analysis				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50414481 (CHEMBL5280302) Show SMILES [#6]-[#6](-[#6])-[#6]-1-[#7]-[#6](=O)-[#6](-[#6]-c2ccccc2)-[#7]-[#6](=O)C2([#6]-[#6]-[#6]-[#6]-[#6]2)[#7]-[#6](=O)-[#6](-[#7])-[#6]-[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O Show InChI InChI=1S/C44H68N14O10S2/c1-24(2)34-40(66)53-29(20-32(46)59)37(63)54-30(41(67)58-18-10-14-31(58)39(65)52-27(13-9-17-50-43(48)49)36(62)51-21-33(47)60)23-70-69-22-26(45)35(61)57-44(15-7-4-8-16-44)42(68)55-28(38(64)56-34)19-25-11-5-3-6-12-25/h3,5-6,11-12,24,26-31,34H,4,7-10,13-23,45H2,1-2H3,(H2,46,59)(H2,47,60)(H,51,62)(H,52,65)(H,53,66)(H,54,63)(H,55,68)(H,56,64)(H,57,61)(H4,48,49,50)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-MK299 from human neuropeptide Y Y1 receptor in human SK-N-MC cells measured after 90 mins by scintillation counting analysis				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50415765 (CHEMBL5280977) Show SMILES FC1CN(CCC1Nc1ccc(F)cc1)C(=O)\C=C/c1ccccc1Cl Show InChI InChI=1S/C20H19ClF2N2O/c21-17-4-2-1-3-14(17)5-10-20(26)25-12-11-19(18(23)13-25)24-16-8-6-15(22)7-9-16/h1-10,18-19,24H,11-13H2/b10-5-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-MK299 from human neuropeptide Y Y2 receptor expressed in CHO cells measured after 90 mins by scintillation counting analysis				Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50313191 (1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...) Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccc(C)c(Cl)c3)cc21 |r| Show InChI InChI=1S/C21H24ClN3O2/c1-13-5-6-14(11-17(13)22)23-20(26)27-15-7-8-18-16(12-15)21(2)9-10-24(3)19(21)25(18)4/h5-8,11-12,19H,9-10H2,1-4H3,(H,23,26)/t19-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of rat brain AChE by Ellman's method				Bioorg Med Chem Lett 20: 1532-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.097 BindingDB Entry DOI: 10.7270/Q29K4BCV
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50004000 ((3aS,8aR)-1,3a,8-trimethyl-1,2,3,3a,8,8a-hexahydro...) Show SMILES CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1 |r| Show InChI InChI=1S/C15H21N3O2/c1-15-7-8-17(3)13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2/h5-6,9,13H,7-8H2,1-4H3,(H,16,19)/t13-,15+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of rat plasma BChE by Ellman's method				Bioorg Med Chem Lett 20: 1532-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.097 BindingDB Entry DOI: 10.7270/Q29K4BCV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50414477 (CHEMBL5291188) Show SMILES [#6]-[#6](-[#6])-[#6]-1-[#7]-[#6](=O)-[#6](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]C2([#6]-[#6]-[#6]-[#6]-[#6]2)[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O Show InChI InChI=1S/C51H73N13O11S2/c1-29(2)42-48(74)61-36(25-39(52)66)45(71)62-37(49(75)64-22-10-14-38(64)47(73)59-33(13-9-21-56-50(54)55)43(69)57-27-40(53)67)28-76-77-51(19-7-4-8-20-51)26-41(68)58-34(24-31-15-17-32(65)18-16-31)44(70)60-35(46(72)63-42)23-30-11-5-3-6-12-30/h3,5-6,11-12,15-18,29,33-38,42,65H,4,7-10,13-14,19-28H2,1-2H3,(H2,52,66)(H2,53,67)(H,57,69)(H,58,68)(H,59,73)(H,60,70)(H,61,74)(H,62,71)(H,63,72)(H4,54,55,56)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-MK299 from human neuropeptide Y Y1 receptor in human SK-N-MC cells measured after 90 mins by scintillation counting analysis				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50584365 (CHEMBL5078327) Show SMILES CC(C)CN(c1ccc(nc1C)N1CCOCC1)S(=O)(=O)c1ccc2OC(CC(=O)c2c1)C1CCOCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY from APC-labelled RORgammat LBD (unknown origin) incubated for 1 hrs by binding assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114065 BindingDB Entry DOI: 10.7270/Q2N58R8Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50412732 (CHEMBL5272275) Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(c3)C(C)=O)ccc2F)CCN1 |r| Show InChI InChI=1S/C28H30FN3O2/c1-19-17-32(12-11-30-19)18-22-5-3-7-24(13-22)26-14-21(9-10-27(26)29)16-31-28(34)25-8-4-6-23(15-25)20(2)33/h3-10,13-15,19,30H,11-12,16-18H2,1-2H3,(H,31,34)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in CHO-mtAEQ cells co-expressing Gqi5 measured after 90 mins by scintill...				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50414482 (CHEMBL5282428) Show SMILES [#7]-[#6](=O)-[#6]-[#6]-[#6]-1-[#7]-[#6](=O)-[#6](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6]C2([#6]-[#6]-[#6]-[#6]-[#6]2)[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O)-[#6](-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C57H76N14O11S2/c58-43(72)24-23-38-50(77)67-40(30-44(59)73)52(79)69-41(55(82)71-28-14-22-42(71)53(80)66-37(21-13-27-63-56(61)62)49(76)64-32-45(60)74)33-83-84-57(25-11-4-12-26-57)31-46(75)70-48(47(35-17-7-2-8-18-35)36-19-9-3-10-20-36)54(81)68-39(51(78)65-38)29-34-15-5-1-6-16-34/h1-3,5-10,15-20,37-42,47-48H,4,11-14,21-33H2,(H2,58,72)(H2,59,73)(H2,60,74)(H,64,76)(H,65,78)(H,66,80)(H,67,77)(H,68,81)(H,69,79)(H,70,75)(H4,61,62,63)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-MK299 from human neuropeptide Y Y1 receptor in human SK-N-MC cells measured after 90 mins by scintillation counting analysis				Citation and Details
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50313191 (1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...) Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccc(C)c(Cl)c3)cc21 |r| Show InChI InChI=1S/C21H24ClN3O2/c1-13-5-6-14(11-17(13)22)23-20(26)27-15-7-8-18-16(12-15)21(2)9-10-24(3)19(21)25(18)4/h5-8,11-12,19H,9-10H2,1-4H3,(H,23,26)/t19-,21+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of rat plasma BChE by Ellman's method				Bioorg Med Chem Lett 20: 1532-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.097 BindingDB Entry DOI: 10.7270/Q29K4BCV
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM50313195 (1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...) Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)NC3CCCCC3)cc21 |r| Show InChI InChI=1S/C20H29N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h9-10,13-14,18H,4-8,11-12H2,1-3H3,(H,21,24)/t18-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of rat brain AChE by Ellman's method				Bioorg Med Chem Lett 20: 1532-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.097 BindingDB Entry DOI: 10.7270/Q29K4BCV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50415762 (CHEMBL5283401) Show SMILES O=c1c(\C=C\c2ccccc2C#N)c(N2CCN(Cc3ccsc3)CC2)c1=O Show InChI InChI=1S/C22H19N3O2S/c23-13-18-4-2-1-3-17(18)5-6-19-20(22(27)21(19)26)25-10-8-24(9-11-25)14-16-7-12-28-15-16/h1-7,12,15H,8-11,14H2/b6-5+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-MK299 from human neuropeptide Y Y2 receptor expressed in CHO cells measured after 90 mins by scintillation counting analysis				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50461084 (CHEMBL4225088) Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(CO)c1 Show InChI InChI=1S/C25H35NO5S/c1-4-20-5-7-23(8-6-20)26(16-19(2)3)32(28,29)24-9-10-25(22(15-24)17-27)31-18-21-11-13-30-14-12-21/h5-10,15,19,21,27H,4,11-14,16-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY from APC-labelled RORgammat LBD (unknown origin) incubated for 1 hrs by binding assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114065 BindingDB Entry DOI: 10.7270/Q2N58R8Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50584380 (CHEMBL5087865) Show SMILES CCc1ccc(cc1)N(CC1CC1)S(=O)(=O)c1ccc2OC(CC(=O)c2c1)C1CCOCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY from APC-labelled RORgammat LBD (unknown origin) incubated for 1 hrs by binding assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114065 BindingDB Entry DOI: 10.7270/Q2N58R8Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50415761 (CHEMBL5285102) Show SMILES Fc1ccc(CN2CCN(CC2)C(=O)\C=C\c2ccccc2Cl)cc1 Show InChI InChI=1S/C20H20ClFN2O/c21-19-4-2-1-3-17(19)7-10-20(25)24-13-11-23(12-14-24)15-16-5-8-18(22)9-6-16/h1-10H,11-15H2/b10-7+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Agonist activity at human neuropeptide Y Y4 receptor expressed in HEK293T cells co-expressing CRE-controlled gene reporter firefly luciferase assesse...				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50461084 (CHEMBL4225088) Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(CO)c1 Show InChI InChI=1S/C25H35NO5S/c1-4-20-5-7-23(8-6-20)26(16-19(2)3)32(28,29)24-9-10-25(22(15-24)17-27)31-18-21-11-13-30-14-12-21/h5-10,15,19,21,27H,4,11-14,16-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in CHO-mtAEQ cells co-expressing Gqi5 measured after 90 mins by scintill...				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50414487 (CHEMBL5269692) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O)-[#6](-c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C52H69N13O10S2/c1-30(2)43-49(73)61-36(27-39(53)66)46(70)62-37(51(75)65-24-13-21-38(65)48(72)59-34(20-12-23-57-52(55)56)45(69)58-28-40(54)67)29-77-76-25-22-41(68)63-44(42(32-16-8-4-9-17-32)33-18-10-5-11-19-33)50(74)60-35(47(71)64-43)26-31-14-6-3-7-15-31/h3-11,14-19,30,34-38,42-44H,12-13,20-29H2,1-2H3,(H2,53,66)(H2,54,67)(H,58,69)(H,59,72)(H,60,74)(H,61,73)(H,62,70)(H,63,68)(H,64,71)(H4,55,56,57)/t34-,35+,36+,37+,38+,43+,44-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-MK299 from human neuropeptide Y Y1 receptor in human SK-N-MC cells measured after 90 mins by scintillation counting analysis				Citation and Details
					More data for this Ligand-Target Pair
Acetylcholinesterase (Rattus norvegicus (rat))	BDBM10958 ((3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyr...) Show SMILES [H][C@]12N(C)CC[C@@]1(C)c1cc(OC(=O)Nc3ccccc3)ccc1N2C |r| Show InChI InChI=1S/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11.9	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of rat brain AChE by Ellman's method				Bioorg Med Chem Lett 20: 1532-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.097 BindingDB Entry DOI: 10.7270/Q29K4BCV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50416545 (CHEMBL5268552) Show SMILES NC(=O)C(Cc1ccccc1)NC(=O)c1ccc(cc1)-c1cccs1 Show InChI InChI=1S/C20H18N2O2S/c21-19(23)17(13-14-5-2-1-3-6-14)22-20(24)16-10-8-15(9-11-16)18-7-4-12-25-18/h1-12,17H,13H2,(H2,21,23)(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-MK299 from human neuropeptide Y Y2 receptor expressed in CHO cells measured after 90 mins by scintillation counting analysis				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50584378 (CHEMBL5085610) Show SMILES Cc1ccc(N(C2CCC2)S(=O)(=O)c2ccc3OC(CC(=O)c3c2)C2CCOCC2)c(C)c1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY from APC-labelled RORgammat LBD (unknown origin) incubated for 1 hrs by binding assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114065 BindingDB Entry DOI: 10.7270/Q2N58R8Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50414484 (CHEMBL5289067) Show SMILES [#7]-[#6](=O)-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6]-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O)-[#6](-c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C52H68N14O11S2/c53-39(67)21-20-34-46(72)62-36(27-40(54)68)48(74)64-37(51(77)66-24-11-19-38(66)49(75)61-33(18-10-23-58-52(56)57)45(71)59-28-41(55)69)29-79-78-25-22-42(70)65-44(43(31-14-6-2-7-15-31)32-16-8-3-9-17-32)50(76)63-35(47(73)60-34)26-30-12-4-1-5-13-30/h1-9,12-17,33-38,43-44H,10-11,18-29H2,(H2,53,67)(H2,54,68)(H2,55,69)(H,59,71)(H,60,73)(H,61,75)(H,62,72)(H,63,76)(H,64,74)(H,65,70)(H4,56,57,58)/t33-,34+,35+,36+,37+,38+,44-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-MK299 from human neuropeptide Y Y1 receptor in human SK-N-MC cells measured after 90 mins by scintillation counting analysis				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50413830 (CHEMBL5270926) Show SMILES CCCN1CCN(CC1)c1ncc(CCN(C)C(=O)CC)s1 Show InChI InChI=1S/C16H28N4OS/c1-4-7-19-9-11-20(12-10-19)16-17-13-14(22-16)6-8-18(3)15(21)5-2/h13H,4-12H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in CHO-mtAEQ cells co-expressing Gqi5 measured after 90 mins by scintill...				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50415048 (CHEMBL5283435) Show SMILES CCOC(=O)C1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c12 Show InChI InChI=1S/C15H12O8/c1-2-22-14(20)6-4-8(17)13-10(6)9-5(15(21)23-13)3-7(16)11(18)12(9)19/h3,6,16,18-19H,2,4H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-MK299 from human neuropeptide Y Y2 receptor expressed in CHO cells measured after 90 mins by scintillation counting analysis				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50415764 (CHEMBL5289290) Show SMILES O=C(\C=C\c1ccccc1C#N)c1ccc(NC2CCCC2)nc1 Show InChI InChI=1S/C20H19N3O/c21-13-16-6-2-1-5-15(16)9-11-19(24)17-10-12-20(22-14-17)23-18-7-3-4-8-18/h1-2,5-6,9-12,14,18H,3-4,7-8H2,(H,22,23)/b11-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-MK299 from human neuropeptide Y Y2 receptor expressed in CHO cells measured after 90 mins by scintillation counting analysis				Citation and Details
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50313194 (1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...) Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3cccc4ccccc34)cc21 |r| Show InChI InChI=1S/C24H25N3O2/c1-24-13-14-26(2)22(24)27(3)21-12-11-17(15-19(21)24)29-23(28)25-20-10-6-8-16-7-4-5-9-18(16)20/h4-12,15,22H,13-14H2,1-3H3,(H,25,28)/t22-,24+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.1	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of rat plasma BChE by Ellman's method				Bioorg Med Chem Lett 20: 1532-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.097 BindingDB Entry DOI: 10.7270/Q29K4BCV
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Rattus norvegicus (rat))	BDBM50313184 (1,3alpha,8-trimethyl-1,2,3,3alpha,8,8alpha-hexahyd...) Show SMILES CN1CC[C@]2(C)[C@H]1N(C)c1ccc(OC(=O)Nc3ccc(Br)cc3)cc21 |r| Show InChI InChI=1S/C20H22BrN3O2/c1-20-10-11-23(2)18(20)24(3)17-9-8-15(12-16(17)20)26-19(25)22-14-6-4-13(21)5-7-14/h4-9,12,18H,10-11H2,1-3H3,(H,22,25)/t18-,20+/m1/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14.9	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of rat plasma BChE by Ellman's method				Bioorg Med Chem Lett 20: 1532-4 (2010) Article DOI: 10.1016/j.bmcl.2010.01.097 BindingDB Entry DOI: 10.7270/Q29K4BCV
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50584357 (CHEMBL5084316) Show SMILES CC(C)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc2OC(CC(=O)c2c1)C1CCOCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY from APC-labelled RORgammat LBD (unknown origin) incubated for 1 hrs by binding assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114065 BindingDB Entry DOI: 10.7270/Q2N58R8Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50414272 (CHEMBL5278608) Show SMILES O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1 |TLB:4:3:6.5.10:8,10:5:12:9.8.11,10:9:12:6.5.4,2:3:6.5.10:8,THB:4:5:8:12.3.11,11:3:6:10.9.8,11:9:6:12.4.3,2:3:6:10.9.8| Show InChI InChI=1S/C18H23NO/c20-17(19-16-4-2-1-3-5-16)12-18-9-13-6-14(10-18)8-15(7-13)11-18/h1-5,13-15H,6-12H2,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]propionyl-pNPY from human neuropeptide Y Y5 receptor in human HEC-1B cells measured after 90 mins by scintillation counting analy...				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50414477 (CHEMBL5291188) Show SMILES [#6]-[#6](-[#6])-[#6]-1-[#7]-[#6](=O)-[#6](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]C2([#6]-[#6]-[#6]-[#6]-[#6]2)[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O Show InChI InChI=1S/C51H73N13O11S2/c1-29(2)42-48(74)61-36(25-39(52)66)45(71)62-37(49(75)64-22-10-14-38(64)47(73)59-33(13-9-21-56-50(54)55)43(69)57-27-40(53)67)28-76-77-51(19-7-4-8-20-51)26-41(68)58-34(24-31-15-17-32(65)18-16-31)44(70)60-35(46(72)63-42)23-30-11-5-3-6-12-30/h3,5-6,11-12,15-18,29,33-38,42,65H,4,7-10,13-14,19-28H2,1-2H3,(H2,52,66)(H2,53,67)(H,57,69)(H,58,68)(H,59,73)(H,60,70)(H,61,74)(H,62,71)(H,63,72)(H4,54,55,56)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]propionyl-pNPY from human neuropeptide Y Y5 receptor in human HEC-1B cells measured after 90 mins by scintillation counting analy...				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50461084 (CHEMBL4225088) Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc(OCC2CCOCC2)c(CO)c1 Show InChI InChI=1S/C25H35NO5S/c1-4-20-5-7-23(8-6-20)26(16-19(2)3)32(28,29)24-9-10-25(22(15-24)17-27)31-18-21-11-13-30-14-12-21/h5-10,15,19,21,27H,4,11-14,16-18H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at RORgammat (unknown origin)				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114065 BindingDB Entry DOI: 10.7270/Q2N58R8Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50584365 (CHEMBL5078327) Show SMILES CC(C)CN(c1ccc(nc1C)N1CCOCC1)S(=O)(=O)c1ccc2OC(CC(=O)c2c1)C1CCOCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inverse agonist activity at RORgammat (unknown origin) transfected in human Jurkat cells assessed as inhibition of RORgammat transcriptional activity...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114065 BindingDB Entry DOI: 10.7270/Q2N58R8Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50414839 (CHEMBL5268269) Show SMILES CCCN1CCN(CC1)c1nc2cnccc2s1 Show InChI InChI=1S/C13H18N4S/c1-2-5-16-6-8-17(9-7-16)13-15-11-10-14-4-3-12(11)18-13/h3-4,10H,2,5-9H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-MK299 from human neuropeptide Y Y2 receptor expressed in CHO cells measured after 90 mins by scintillation counting analysis				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50584336 (CHEMBL5077074) Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc2OC(CC(=O)c2c1)C1CCOCC1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY from APC-labelled RORgammat LBD (unknown origin) incubated for 1 hrs by binding assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114065 BindingDB Entry DOI: 10.7270/Q2N58R8Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50584346 (CHEMBL5076525) Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc2O[C@@H](CC(=O)c2c1)C1CCOCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY from APC-labelled RORgammat LBD (unknown origin) incubated for 1 hrs by binding assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114065 BindingDB Entry DOI: 10.7270/Q2N58R8Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50584347 (CHEMBL5081603) Show SMILES CCc1ccc(cc1)N(CC(C)C)S(=O)(=O)c1ccc2O[C@H](CC(=O)c2c1)C1CCOCC1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of BODIPY from APC-labelled RORgammat LBD (unknown origin) incubated for 1 hrs by binding assay				Citation and Details Article DOI: 10.1016/j.ejmech.2021.114065 BindingDB Entry DOI: 10.7270/Q2N58R8Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50414483 (CHEMBL5288554) Show SMILES [#6]-[#6](=O)-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-2=[#6]-[#6]-[#6]-[#6]=[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O)-[#6](-c1ccccc1)-c1ccccc1 |r,c:23,t:19| Show InChI InChI=1S/C55H74N12O11S2/c1-32(2)59-25-13-21-38(49(72)60-29-45(58)70)62-53(76)43-22-14-26-67(43)55(78)42-31-80-79-30-37(56)48(71)66-47(46(35-17-9-5-10-18-35)36-19-11-6-12-20-36)54(77)64-41(28-34-15-7-4-8-16-34)52(75)61-39(23-24-44(57)69)50(73)63-40(27-33(3)68)51(74)65-42/h5-7,9-12,15-20,37-43,46-47H,4,8,13-14,21-31,56H2,1-3H3,(H2,57,69)(H2,58,70)(H,60,72)(H,61,75)(H,62,76)(H,63,73)(H,64,77)(H,65,74)(H,66,71)/t37-,38-,39-,40-,41-,42-,43-,47+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-MK299 from human neuropeptide Y Y1 receptor in human SK-N-MC cells measured after 90 mins by scintillation counting analysis				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50414485 (CHEMBL5281188) Show SMILES [#6]-[#6](-[#6])-[#6]-1-[#7]-[#6](=O)-[#6](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6]C2([#6]-[#6]-[#6]-[#6]-[#6]2)[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O)-[#6](-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C57H77N13O10S2/c1-34(2)47-53(78)66-40(30-43(58)71)50(75)67-41(55(80)70-28-16-24-42(70)52(77)64-38(23-15-27-62-56(60)61)49(74)63-32-44(59)72)33-81-82-57(25-13-6-14-26-57)31-45(73)68-48(46(36-19-9-4-10-20-36)37-21-11-5-12-22-37)54(79)65-39(51(76)69-47)29-35-17-7-3-8-18-35/h3-5,7-12,17-22,34,38-42,46-48H,6,13-16,23-33H2,1-2H3,(H2,58,71)(H2,59,72)(H,63,74)(H,64,77)(H,65,79)(H,66,78)(H,67,75)(H,68,73)(H,69,76)(H4,60,61,62)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-MK299 from human neuropeptide Y Y1 receptor in human SK-N-MC cells measured after 90 mins by scintillation counting analysis				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50412731 (CHEMBL5284381) Show SMILES CCC(=O)c1cccc(c1)C(=O)NCc1ccc(F)c(c1)-c1cccc(CN2CCN[C@@H](C)C2)c1 |r| Show InChI InChI=1S/C29H32FN3O2/c1-3-28(34)24-8-5-9-25(16-24)29(35)32-17-21-10-11-27(30)26(15-21)23-7-4-6-22(14-23)19-33-13-12-31-20(2)18-33/h4-11,14-16,20,31H,3,12-13,17-19H2,1-2H3,(H,32,35)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in CHO-mtAEQ cells co-expressing Gqi5 measured after 90 mins by scintill...				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50413835 (CHEMBL5282046) Show SMILES CCCN1CCN(CC1)c1ncc(CCN(C)CCCCCc2ccccc2)s1 Show InChI InChI=1S/C24H38N4S/c1-3-14-27-17-19-28(20-18-27)24-25-21-23(29-24)13-16-26(2)15-9-5-8-12-22-10-6-4-7-11-22/h4,6-7,10-11,21H,3,5,8-9,12-20H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]propionyl-pNPY from human neuropeptide Y Y5 receptor in human HEC-1B cells measured after 90 mins by scintillation counting analy...				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50414480 (CHEMBL5267562) Show SMILES [#6]-[#6](-[#6])-[#6]-1-[#7]-[#6](=O)-[#6](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6](-[#7]-[#6](=O)-[#6](-[#7])-[#6]-[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6](-[#6]-[#6](-[#7])=O)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-1-[#6](=O)-[#7]-[#6](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O)-[#6](-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C52H70N14O10S2/c1-29(2)42-49(74)62-36(25-39(54)67)46(71)63-37(51(76)66-23-13-21-38(66)48(73)60-34(20-12-22-58-52(56)57)45(70)59-26-40(55)68)28-78-77-27-33(53)44(69)65-43(41(31-16-8-4-9-17-31)32-18-10-5-11-19-32)50(75)61-35(47(72)64-42)24-30-14-6-3-7-15-30/h3-11,14-19,29,33-38,41-43H,12-13,20-28,53H2,1-2H3,(H2,54,67)(H2,55,68)(H,59,70)(H,60,73)(H,61,75)(H,62,74)(H,63,71)(H,64,72)(H,65,69)(H4,56,57,58)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-MK299 from human neuropeptide Y Y1 receptor in human SK-N-MC cells measured after 90 mins by scintillation counting analysis				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50412730 (CHEMBL5279041) Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(c3)C#N)ccc2F)CCN1 |r| Show InChI InChI=1S/C27H27FN4O/c1-19-17-32(11-10-30-19)18-22-5-3-6-23(13-22)25-14-21(8-9-26(25)28)16-31-27(33)24-7-2-4-20(12-24)15-29/h2-9,12-14,19,30H,10-11,16-18H2,1H3,(H,31,33)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in CHO-mtAEQ cells co-expressing Gqi5 measured after 90 mins by scintill...				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50412732 (CHEMBL5272275) Show SMILES C[C@H]1CN(Cc2cccc(c2)-c2cc(CNC(=O)c3cccc(c3)C(C)=O)ccc2F)CCN1 |r| Show InChI InChI=1S/C28H30FN3O2/c1-19-17-32(12-11-30-19)18-22-5-3-7-24(13-22)26-14-21(9-10-27(26)29)16-31-28(34)25-8-4-6-23(15-25)20(2)33/h3-10,13-15,19,30H,11-12,16-18H2,1-2H3,(H,31,34)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]UR-MK299 from human neuropeptide Y Y2 receptor expressed in CHO cells measured after 90 mins by scintillation counting analysis				Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50415765 (CHEMBL5280977) Show SMILES FC1CN(CCC1Nc1ccc(F)cc1)C(=O)\C=C/c1ccccc1Cl Show InChI InChI=1S/C20H19ClF2N2O/c21-17-4-2-1-3-14(17)5-10-20(26)25-12-11-19(18(23)13-25)24-16-8-6-15(22)7-9-16/h1-10,18-19,24H,11-13H2/b10-5-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem		n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 403 total )  |  Next  |  Last  >>

Jump to: