Compile Data Set for Download or QSAR

Found 798 hits with Last Name = 'cridland' and Initial = 'a'   

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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM383492 (N-[1-[5-(2,6-difluorophenyl)- 11,11-dimethyl-3,4- ...) Show SMILES CCN([C@@H](C)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1coc(n1)C(C)(C)O |r| Show InChI InChI=1S/C28H32F2N4O3/c1-7-34(24(35)21-14-37-25(31-21)27(5,6)36)15(2)28-12-11-17(26(28,3)4)16-13-20(32-33-23(16)28)22-18(29)9-8-10-19(22)30/h8-10,13-15,17,36H,7,11-12H2,1-6H3/t15-,17-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...				J Med Chem 51: 5009-18 (2008) BindingDB Entry DOI: 10.7270/Q2057J7R
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM383479 (N-[[(1S,8R)-5-(2,6- difluorophenyl)-11,11-dimethyl...) Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1ncc(O)cn1 |r| Show InChI InChI=1S/C25H25F2N5O2/c1-4-32(23(34)22-28-11-14(33)12-29-22)13-25-9-8-16(24(25,2)3)15-10-19(30-31-21(15)25)20-17(26)6-5-7-18(20)27/h5-7,10-12,16,33H,4,8-9,13H2,1-3H3/t16-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...				J Med Chem 51: 5009-18 (2008) BindingDB Entry DOI: 10.7270/Q2057J7R
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497901 (6'-amino-6-((5R,8S)-3-(2,6- difluorophenyl)-9,9-di...) Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1cnc(N)c(c1)C#N |r,THB:8:7:4.5:1,11:12:4.5:1| Show InChI InChI=1S/C28H22F2N6/c1-27(2)18-9-10-28(27,23-8-4-7-21(34-23)16-11-15(13-31)26(32)33-14-16)25-17(18)12-22(35-36-25)24-19(29)5-3-6-20(24)30/h3-8,11-12,14,18H,9-10H2,1-2H3,(H2,32,33)/t18-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM481835 (4-[3-[5-[(5-methyl-4-oxo- pyrido[2,3-d]pyrimidin-3...) Show SMILES Cc1ccnc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(cc4)C#N)c(=O)o3)c(=O)c12 |r,wU:15.17,wD:13.12,(-9.54,-2.78,;-9.54,-1.24,;-10.88,-.47,;-10.88,1.07,;-9.54,1.84,;-8.21,1.07,;-6.88,1.84,;-5.54,1.07,;-5.54,-.47,;-4.21,-1.24,;-2.87,-.47,;-1.47,-1.1,;-.44,.04,;1.09,-.12,;2.02,-1.35,;3.25,-.42,;2.32,.81,;4.78,-.63,;5.35,-2.06,;6.88,-2.27,;7.83,-1.06,;7.25,.37,;5.72,.58,;9.35,-1.27,;10.88,-1.49,;-1.21,1.38,;-.58,2.78,;-2.71,1.06,;-6.88,-1.24,;-6.88,-2.78,;-8.21,-.47,)| Show InChI InChI=1S/C22H18N6O3/c1-13-6-7-24-20-19(13)21(29)27(12-25-20)11-18-26-28(22(30)31-18)17-8-16(9-17)15-4-2-14(10-23)3-5-15/h2-7,12,16-17H,8-9,11H2,1H3/t16-,17-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.58	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...				US Patent US10913742 (2021) BindingDB Entry DOI: 10.7270/Q2X63R26
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM383417 (1-(2,4-difluorophenyl)-N- (((5R,8S)-3-(2,6-difluor...) Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)Cc1ccc(F)cc1F |r| Show InChI InChI=1S/C27H27F4N3O2S/c1-4-34(37(35,36)14-16-8-9-17(28)12-22(16)31)15-27-11-10-19(26(27,2)3)18-13-23(32-33-25(18)27)24-20(29)6-5-7-21(24)30/h5-9,12-13,19H,4,10-11,14-15H2,1-3H3/t19-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...				J Med Chem 51: 5009-18 (2008) BindingDB Entry DOI: 10.7270/Q2057J7R
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497661 ((1S,8R)-5-(2,6-difluorophenyl)-11,11- dimethyl-1-[...) Show SMILES Cc1n[nH]cc1-c1cccc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C |r,TLB:20:21:14.13:30,17:16:14.13:30| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM383442 (N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...) Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)Cc1ccccc1F |r| Show InChI InChI=1S/C27H28F3N3O2S/c1-4-33(36(34,35)15-17-8-5-6-9-20(17)28)16-27-13-12-19(26(27,2)3)18-14-23(31-32-25(18)27)24-21(29)10-7-11-22(24)30/h5-11,14,19H,4,12-13,15-16H2,1-3H3/t19-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...				J Med Chem 51: 5009-18 (2008) BindingDB Entry DOI: 10.7270/Q2057J7R
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497898 (2-amino-5-(4-((5R,8S)-3-(2,6- difluorophenyl)-9,9-...) Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1ccnc(n1)-c1cnc(N)c(c1)C#N |r,THB:8:7:4.5:1,11:12:4.5:1| Show InChI InChI=1S/C27H21F2N7/c1-26(2)17-6-8-27(26,21-7-9-32-25(34-21)15-10-14(12-30)24(31)33-13-15)23-16(17)11-20(35-36-23)22-18(28)4-3-5-19(22)29/h3-5,7,9-11,13,17H,6,8H2,1-2H3,(H2,31,33)/t17-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM383433 (1-(2,5-difluorophenyl)-N- (((5R,8S)-3-(2,6-difluor...) Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)Cc1cc(F)ccc1F |r| Show InChI InChI=1S/C27H27F4N3O2S/c1-4-34(37(35,36)14-16-12-17(28)8-9-20(16)29)15-27-11-10-19(26(27,2)3)18-13-23(32-33-25(18)27)24-21(30)6-5-7-22(24)31/h5-9,12-13,19H,4,10-11,14-15H2,1-3H3/t19-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...				J Med Chem 51: 5009-18 (2008) BindingDB Entry DOI: 10.7270/Q2057J7R
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497518 (3-[4-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-dim...) Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1ccnc(n1)-c1cnn(CCC#N)c1 |r,THB:8:7:4.5:1,11:12:4.5:1| Show InChI InChI=1S/C27H23F2N7/c1-26(2)18-7-9-27(26,22-8-11-31-25(33-22)16-14-32-36(15-16)12-4-10-30)24-17(18)13-21(34-35-24)23-19(28)5-3-6-20(23)29/h3,5-6,8,11,13-15,18H,4,7,9,12H2,1-2H3/t18-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497573 ((2S)-1-[4-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,1...) Show SMILES C[C@@H](O)Cn1cc(cn1)-c1cccc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C |r,TLB:23:24:17.16:33,20:19:17.16:33| Show InChI InChI=1S/C28H27F2N5O/c1-16(36)14-35-15-17(13-31-35)22-8-5-9-24(32-22)28-11-10-19(27(28,2)3)18-12-23(33-34-26(18)28)25-20(29)6-4-7-21(25)30/h4-9,12-13,15-16,19,36H,10-11,14H2,1-3H3/t16-,19+,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497648 (N-[[5-[6-[(1R,8R)-5-(2,6-difluorophenyl)- 11,11-di...) Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cncc(n1)-c1ccc(CNS(C)(=O)=O)nc1 |r,THB:8:7:4.5:1,11:12:4.5:1| Show InChI InChI=1S/C28H26F2N6O2S/c1-27(2)19-9-10-28(27,26-18(19)11-22(35-36-26)25-20(29)5-4-6-21(25)30)24-15-31-14-23(34-24)16-7-8-17(32-12-16)13-33-39(3,37)38/h4-8,11-12,14-15,19,33H,9-10,13H2,1-3H3/t19-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497855 ((5R,8S)-8-(6-(3-(difluoromethyl)-1H- 1,2,4-triazol...) Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-n1cnc(n1)C(F)F |r,THB:8:7:4.5:1,11:12:4.5:1| Show InChI InChI=1S/C25H20F4N6/c1-24(2)14-9-10-25(24,18-7-4-8-19(31-18)35-12-30-23(34-35)22(28)29)21-13(14)11-17(32-33-21)20-15(26)5-3-6-16(20)27/h3-8,11-12,14,22H,9-10H2,1-2H3/t14-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497574 ((1S,8R)-5-(2,6-difluorophenyl)-11,11- dimethyl-1-[...) Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1cnn(CCS(C)(=O)=O)c1 |r,THB:8:7:4.5:1,11:12:4.5:1| Show InChI InChI=1S/C28H27F2N5O2S/c1-27(2)19-10-11-28(27,26-18(19)14-23(33-34-26)25-20(29)6-4-7-21(25)30)24-9-5-8-22(32-24)17-15-31-35(16-17)12-13-38(3,36)37/h4-9,14-16,19H,10-13H2,1-3H3/t19-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497658 (2-[4-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-dim...) Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1cnn(CC(N)=O)c1 |r,THB:8:7:4.5:1,11:12:4.5:1| Show InChI InChI=1S/C27H24F2N6O/c1-26(2)17-9-10-27(26,22-8-4-7-20(32-22)15-12-31-35(13-15)14-23(30)36)25-16(17)11-21(33-34-25)24-18(28)5-3-6-19(24)29/h3-8,11-13,17H,9-10,14H2,1-2H3,(H2,30,36)/t17-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497586 (3-[4-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-dim...) Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1cnn(CCC#N)c1 |r,THB:8:7:4.5:1,11:12:4.5:1| Show InChI InChI=1S/C28H24F2N6/c1-27(2)19-10-11-28(27,24-9-4-8-22(33-24)17-15-32-36(16-17)13-5-12-31)26-18(19)14-23(34-35-26)25-20(29)6-3-7-21(25)30/h3-4,6-9,14-16,19H,5,10-11,13H2,1-2H3/t19-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM383443 (N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...) Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C27H29F2N3O2S/c1-4-32(35(33,34)16-18-9-6-5-7-10-18)17-27-14-13-20(26(27,2)3)19-15-23(30-31-25(19)27)24-21(28)11-8-12-22(24)29/h5-12,15,20H,4,13-14,16-17H2,1-3H3/t20-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...				J Med Chem 51: 5009-18 (2008) BindingDB Entry DOI: 10.7270/Q2057J7R
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM383493 (N-[1-[5-(2,6-difluorophenyl)- 11,11-dimethyl-3,4- ...) Show SMILES CCN([C@H](C)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1nc(C)oc1C |r| Show InChI InChI=1S/C27H30F2N4O2/c1-7-33(25(34)23-14(2)35-16(4)30-23)15(3)27-12-11-18(26(27,5)6)17-13-21(31-32-24(17)27)22-19(28)9-8-10-20(22)29/h8-10,13,15,18H,7,11-12H2,1-6H3/t15-,18+,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...				J Med Chem 51: 5009-18 (2008) BindingDB Entry DOI: 10.7270/Q2057J7R
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM383469 (N-[[(1S,8R)-5-(2,6- difluorophenyl)-11,11-dimethyl...) Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1cnc(C)o1 |r| Show InChI InChI=1S/C25H26F2N4O2/c1-5-31(23(32)20-12-28-14(2)33-20)13-25-10-9-16(24(25,3)4)15-11-19(29-30-22(15)25)21-17(26)7-6-8-18(21)27/h6-8,11-12,16H,5,9-10,13H2,1-4H3/t16-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...				J Med Chem 51: 5009-18 (2008) BindingDB Entry DOI: 10.7270/Q2057J7R
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM383431 (2-cyano-N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-di...) Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)c1ccccc1C#N |r| Show InChI InChI=1S/C27H26F2N4O2S/c1-4-33(36(34,35)23-11-6-5-8-17(23)15-30)16-27-13-12-19(26(27,2)3)18-14-22(31-32-25(18)27)24-20(28)9-7-10-21(24)29/h5-11,14,19H,4,12-13,16H2,1-3H3/t19-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...				J Med Chem 51: 5009-18 (2008) BindingDB Entry DOI: 10.7270/Q2057J7R
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497527 (2-methyl-2-[2-[6-[(1S,8R)-5-(2,6- difluorophenyl)-...) Show SMILES CC(C)(C#N)c1coc(n1)-c1cncc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C |r,TLB:24:25:18.17:34,21:20:18.17:34| Show InChI InChI=1S/C28H24F2N6O/c1-26(2,14-31)22-13-37-25(34-22)20-11-32-12-21(33-20)28-9-8-16(27(28,3)4)15-10-19(35-36-24(15)28)23-17(29)6-5-7-18(23)30/h5-7,10-13,16H,8-9H2,1-4H3/t16-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497572 ((2R)-1-[4-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,1...) Show SMILES C[C@H](O)Cn1cc(cn1)-c1cccc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C |r,TLB:23:24:17.16:33,20:19:17.16:33| Show InChI InChI=1S/C28H27F2N5O/c1-16(36)14-35-15-17(13-31-35)22-8-5-9-24(32-22)28-11-10-19(27(28,2)3)18-12-23(33-34-26(18)28)25-20(29)6-4-7-21(25)30/h4-9,12-13,15-16,19,36H,10-11,14H2,1-3H3/t16-,19-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497726 ((2R)-1-[[5-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,...) Show SMILES C[C@H](O)CNc1ncc(cn1)-c1cccc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C |r,TLB:25:26:19.18:35,22:21:19.18:35| Show InChI InChI=1S/C29H28F2N6O/c1-16(38)13-32-27-33-14-17(15-34-27)22-8-5-9-24(35-22)29-11-10-19(28(29,2)3)18-12-23(36-37-26(18)29)25-20(30)6-4-7-21(25)31/h4-9,12,14-16,19,38H,10-11,13H2,1-3H3,(H,32,33,34)/t16-,19-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497519 ((2R)-1-[4-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,1...) Show SMILES C[C@H](O)Cn1cc(cn1)-c1cncc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C |r,TLB:23:24:17.16:33,20:19:17.16:33| Show InChI InChI=1S/C27H26F2N6O/c1-15(36)13-35-14-16(10-31-35)22-11-30-12-23(32-22)27-8-7-18(26(27,2)3)17-9-21(33-34-25(17)27)24-19(28)5-4-6-20(24)29/h4-6,9-12,14-15,18,36H,7-8,13H2,1-3H3/t15-,18-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497662 ((1S,8R)-5-(2,6-difluorophenyl)-11,11- dimethyl-1-[...) Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cncc(n1)-c1cnn(CS(C)(=O)=O)c1 |r,THB:8:7:4.5:1,11:12:4.5:1| Show InChI InChI=1S/C26H24F2N6O2S/c1-25(2)17-7-8-26(25,24-16(17)9-20(32-33-24)23-18(27)5-4-6-19(23)28)22-12-29-11-21(31-22)15-10-30-34(13-15)14-37(3,35)36/h4-6,9-13,17H,7-8,14H2,1-3H3/t17-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM383408 (N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...) Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)c1ccccc1F |r| Show InChI InChI=1S/C26H26F3N3O2S/c1-4-32(35(33,34)22-11-6-5-8-18(22)27)15-26-13-12-17(25(26,2)3)16-14-21(30-31-24(16)26)23-19(28)9-7-10-20(23)29/h5-11,14,17H,4,12-13,15H2,1-3H3/t17-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...				J Med Chem 51: 5009-18 (2008) BindingDB Entry DOI: 10.7270/Q2057J7R
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497554 ((1S,8R)-5-(2,6-difluorophenyl)-1-[6-[1-(2- ethylsu...) Show SMILES CCS(=O)(=O)CCn1cc(cn1)-c1cncc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C |r,TLB:26:27:20.19:36,23:22:20.19:36| Show InChI InChI=1S/C28H28F2N6O2S/c1-4-39(37,38)11-10-36-16-17(13-32-36)23-14-31-15-24(33-23)28-9-8-19(27(28,2)3)18-12-22(34-35-26(18)28)25-20(29)6-5-7-21(25)30/h5-7,12-16,19H,4,8-11H2,1-3H3/t19-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497657 ((2R)-2-methyl-3-[4-[6-[(1S,8R)-5-(2,6- difluorophe...) Show SMILES C[C@@H](Cn1cc(cn1)-c1cccc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(N)=O |r,TLB:22:23:16.15:32,19:18:16.15:32| Show InChI InChI=1S/C29H28F2N6O/c1-16(27(32)38)14-37-15-17(13-33-37)22-8-5-9-24(34-22)29-11-10-19(28(29,2)3)18-12-23(35-36-26(18)29)25-20(30)6-4-7-21(25)31/h4-9,12-13,15-16,19H,10-11,14H2,1-3H3,(H2,32,38)/t16-,19-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497656 ((2S)-2-methyl-3-[4-[6-[(1S,8R)-5-(2,6- difluorophe...) Show SMILES C[C@H](Cn1cc(cn1)-c1cccc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(N)=O |r,TLB:22:23:16.15:32,19:18:16.15:32| Show InChI InChI=1S/C29H28F2N6O/c1-16(27(32)38)14-37-15-17(13-33-37)22-8-5-9-24(34-22)29-11-10-19(28(29,2)3)18-12-23(35-36-26(18)29)25-20(30)6-4-7-21(25)31/h4-9,12-13,15-16,19H,10-11,14H2,1-3H3,(H2,32,38)/t16-,19+,29+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497655 (N-[5-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-dim...) Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1cnc(NS(C)(=O)=O)nc1 |r,TLB:8:7:4.5:1,11:12:4.5:1| Show InChI InChI=1S/C27H24F2N6O2S/c1-26(2)17-10-11-27(26,24-16(17)12-21(33-34-24)23-18(28)6-4-7-19(23)29)22-9-5-8-20(32-22)15-13-30-25(31-14-15)35-38(3,36)37/h4-9,12-14,17H,10-11H2,1-3H3,(H,30,31,35)/t17-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM383495 (N-[[(1S,8R)-5-(2,6- difluorophenyl)-11,11-dimethyl...) Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1nc(co1)C(C)(C)O |r| Show InChI InChI=1S/C27H30F2N4O3/c1-6-33(24(34)23-30-20(13-36-23)26(4,5)35)14-27-11-10-16(25(27,2)3)15-12-19(31-32-22(15)27)21-17(28)8-7-9-18(21)29/h7-9,12-13,16,35H,6,10-11,14H2,1-5H3/t16-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...				J Med Chem 51: 5009-18 (2008) BindingDB Entry DOI: 10.7270/Q2057J7R
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497559 ((2S)-1-[4-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,1...) Show SMILES CC[C@@H](O)Cn1cc(cn1)-c1cncc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C |r,TLB:24:25:18.17:34,21:20:18.17:34| Show InChI InChI=1S/C28H28F2N6O/c1-4-17(37)15-36-14-16(11-32-36)23-12-31-13-24(33-23)28-9-8-19(27(28,2)3)18-10-22(34-35-26(18)28)25-20(29)6-5-7-21(25)30/h5-7,10-14,17,19,37H,4,8-9,15H2,1-3H3/t17-,19+,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM383473 (N-[[(1S,8R)-5-(2,6- difluorophenyl)-11,11-dimethyl...) Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)C(=O)c1ccc(CS(C)(=O)=O)nn1 |r| Show InChI InChI=1S/C27H29F2N5O3S/c1-5-34(25(35)21-10-9-16(30-31-21)14-38(4,36)37)15-27-12-11-18(26(27,2)3)17-13-22(32-33-24(17)27)23-19(28)7-6-8-20(23)29/h6-10,13,18H,5,11-12,14-15H2,1-4H3/t18-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...				J Med Chem 51: 5009-18 (2008) BindingDB Entry DOI: 10.7270/Q2057J7R
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497561 ((2R)-1-[4-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,1...) Show SMILES CC[C@H](O)Cn1cc(cn1)-c1cncc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C |r,TLB:24:25:18.17:34,21:20:18.17:34| Show InChI InChI=1S/C28H28F2N6O/c1-4-17(37)15-36-14-16(11-32-36)23-12-31-13-24(33-23)28-9-8-19(27(28,2)3)18-10-22(34-35-26(18)28)25-20(29)6-5-7-21(25)30/h5-7,10-14,17,19,37H,4,8-9,15H2,1-3H3/t17-,19-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497562 ((1S,8R)-5-(2,6-difluorophenyl)-11,11- dimethyl-1-[...) Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cncc(n1)-c1ccn(CCS(C)(=O)=O)n1 |r,THB:8:7:4.5:1,11:12:4.5:1| Show InChI InChI=1S/C27H26F2N6O2S/c1-26(2)17-7-9-27(26,25-16(17)13-21(32-33-25)24-18(28)5-4-6-19(24)29)23-15-30-14-22(31-23)20-8-10-35(34-20)11-12-38(3,36)37/h4-6,8,10,13-15,17H,7,9,11-12H2,1-3H3/t17-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497587 (2-[3-[4-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,11-...) Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1cnn(c1)C1(CC#N)COC1 |r,THB:8:7:4.5:1,11:12:4.5:1| Show InChI InChI=1S/C30H26F2N6O/c1-28(2)20-9-10-30(28,27-19(20)13-24(36-37-27)26-21(31)5-3-6-22(26)32)25-8-4-7-23(35-25)18-14-34-38(15-18)29(11-12-33)16-39-17-29/h3-8,13-15,20H,9-11,16-17H2,1-2H3/t20-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM383449 (N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...) Show SMILES CCN(C[C@@]12CC[C@@H](\C(=C\C(=N)c3c(F)cccc3F)C1=N)C2(C)C)C(=O)c1ncco1 |r| Show InChI InChI=1S/C24H26F2N4O2/c1-4-30(22(31)21-29-10-11-32-21)13-24-9-8-15(23(24,2)3)14(20(24)28)12-18(27)19-16(25)6-5-7-17(19)26/h5-7,10-12,15,27-28H,4,8-9,13H2,1-3H3/b14-12-,27-18?,28-20?/t15-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...				J Med Chem 51: 5009-18 (2008) BindingDB Entry DOI: 10.7270/Q2057J7R
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM481824 (5-[(5-methyl-4-oxo-pyrido[2,3- d]pyrimidin-3-yl)me...) Show SMILES Cc1ccnc2ncn(Cc3nn([C@@H]4CC[C@H](C4)c4ccc(F)cc4)c(=O)o3)c(=O)c12 |r| Show InChI InChI=1S/C22H20FN5O3/c1-13-8-9-24-20-19(13)21(29)27(12-25-20)11-18-26-28(22(30)31-18)17-7-4-15(10-17)14-2-5-16(23)6-3-14/h2-3,5-6,8-9,12,15,17H,4,7,10-11H2,1H3/t15-,17-/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.76	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...				US Patent US10913742 (2021) BindingDB Entry DOI: 10.7270/Q2X63R26
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497893 (N-[6-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-dim...) Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1ccc(NS(C)(=O)=O)nn1 |r,THB:8:7:4.5:1,11:12:4.5:1| Show InChI InChI=1S/C27H24F2N6O2S/c1-26(2)16-12-13-27(26,25-15(16)14-21(32-34-25)24-17(28)6-4-7-18(24)29)22-9-5-8-19(30-22)20-10-11-23(33-31-20)35-38(3,36)37/h4-11,14,16H,12-13H2,1-3H3,(H,33,35)/t16-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM383405 (N-(((5R,8S)-3-(2,6- difluorophenyl)-9,9-dimethyl- ...) Show SMILES CCN(C[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C)S(=O)(=O)Cc1cccc(F)c1 |r| Show InChI InChI=1S/C27H28F3N3O2S/c1-4-33(36(34,35)15-17-7-5-8-18(28)13-17)16-27-12-11-20(26(27,2)3)19-14-23(31-32-25(19)27)24-21(29)9-6-10-22(24)30/h5-10,13-14,20H,4,11-12,15-16H2,1-3H3/t20-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Saarland University					Assay Description Consumable Supplier and product code GFB Unifilter plates Perkin Elmer 6005177 3-[(3- Sigma C5070 Cholamidopropyl)dimethylammonio]- 1-propanesulfonat...				J Med Chem 51: 5009-18 (2008) BindingDB Entry DOI: 10.7270/Q2057J7R
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497730 ((2S)-3-[4-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,1...) Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1cnn(C[C@H](O)C(N)=O)c1 |r,TLB:8:7:4.5:1,11:12:4.5:1| Show InChI InChI=1S/C28H26F2N6O2/c1-27(2)17-9-10-28(27,25-16(17)11-21(34-35-25)24-18(29)5-3-6-19(24)30)23-8-4-7-20(33-23)15-12-32-36(13-15)14-22(37)26(31)38/h3-8,11-13,17,22,37H,9-10,14H2,1-2H3,(H2,31,38)/t17-,22-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM481849 (US10913742, Example 93 | trans-3-[[4-[3-(4- chloro...) Show SMILES Cc1cc(nc2ncn(Cc3nn([C@H]4C[C@@H](C4)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12)C#N |r,wU:13.12,wD:15.17,(-7.45,-2.78,;-7.45,-1.24,;-8.78,-.47,;-8.78,1.07,;-7.45,1.84,;-6.11,1.07,;-4.78,1.84,;-3.45,1.07,;-3.45,-.47,;-2.11,-1.24,;-.78,-.47,;.63,-1.1,;1.66,.04,;3.19,-.12,;4.42,.81,;5.35,-.42,;4.12,-1.35,;6.87,-.63,;7.45,-2.06,;8.98,-2.27,;9.92,-1.06,;11.45,-1.27,;9.35,.37,;7.82,.58,;.89,1.38,;1.52,2.78,;-.62,1.06,;-4.78,-1.24,;-4.78,-2.78,;-6.11,-.47,;-10.11,1.84,;-11.45,2.61,)| Show InChI InChI=1S/C22H17ClN6O3/c1-12-6-16(9-24)26-20-19(12)21(30)28(11-25-20)10-18-27-29(22(31)32-18)17-7-14(8-17)13-2-4-15(23)5-3-13/h2-6,11,14,17H,7-8,10H2,1H3/t14-,17-	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.84	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...				US Patent US10913742 (2021) BindingDB Entry DOI: 10.7270/Q2X63R26
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497869 (5-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-dimeth...) Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cccc(n1)-c1cnc(nc1)C(O)=O |r,THB:8:7:4.5:1,11:12:4.5:1| Show InChI InChI=1S/C27H21F2N5O2/c1-26(2)16-9-10-27(26,21-8-4-7-19(32-21)14-12-30-24(25(35)36)31-13-14)23-15(16)11-20(33-34-23)22-17(28)5-3-6-18(22)29/h3-8,11-13,16H,9-10H2,1-2H3,(H,35,36)/t16-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM481792 (5-[(5-methyl-4-oxo-pyrido[2,3- d]pyrimidin-3-yl)me...) Show SMILES Cc1ccnc2ncn(Cc3nn(C[C@H](F)c4ccc(Cl)cc4)c(=O)o3)c(=O)c12 |r| Show InChI InChI=1S/C19H15ClFN5O3/c1-11-6-7-22-17-16(11)18(27)25(10-23-17)9-15-24-26(19(28)29-15)8-14(21)12-2-4-13(20)5-3-12/h2-7,10,14H,8-9H2,1H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human and rat TRPA1 channels were determined using a FLIPR Tetra instrument. CHO cells express...				US Patent US10913742 (2021) BindingDB Entry DOI: 10.7270/Q2X63R26
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497553 (2-[[5-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-di...) Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cncc(n1)-c1ccc(NCCO)nc1 |r,THB:8:7:4.5:1,11:12:4.5:1| Show InChI InChI=1S/C28H26F2N6O/c1-27(2)18-8-9-28(27,26-17(18)12-21(35-36-26)25-19(29)4-3-5-20(25)30)23-15-31-14-22(34-23)16-6-7-24(33-13-16)32-10-11-37/h3-7,12-15,18,37H,8-11H2,1-2H3,(H,32,33)/t18-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497627 ((2R)-3-[4-[6-[(1S,8R)-5-(2,6- difluorophenyl)-11,1...) Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cncc(n1)-c1cnn(C[C@H](O)CO)c1 |r,THB:8:7:4.5:1,11:12:4.5:1| Show InChI InChI=1S/C27H26F2N6O2/c1-26(2)18-6-7-27(26,25-17(18)8-21(33-34-25)24-19(28)4-3-5-20(24)29)23-11-30-10-22(32-23)15-9-31-35(12-15)13-16(37)14-36/h3-5,8-12,16,18,36-37H,6-7,13-14H2,1-2H3/t16-,18-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497703 (N-[[1-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-di...) Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cncc(n1)-n1ccc(CNS(C)(=O)=O)n1 |r,THB:8:7:4.5:1,11:12:4.5:1| Show InChI InChI=1S/C26H25F2N7O2S/c1-25(2)17-7-9-26(25,24-16(17)11-20(32-33-24)23-18(27)5-4-6-19(23)28)21-13-29-14-22(31-21)35-10-8-15(34-35)12-30-38(3,36)37/h4-6,8,10-11,13-14,17,30H,7,9,12H2,1-3H3/t17-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497520 ((1S,8R)-5-(2,6-difluorophenyl)-11,11- dimethyl-1-[...) Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cncc(n1)-c1cnn(CCS(C)(=O)=O)c1 |r,THB:8:7:4.5:1,11:12:4.5:1| Show InChI InChI=1S/C27H26F2N6O2S/c1-26(2)18-7-8-27(26,25-17(18)11-21(33-34-25)24-19(28)5-4-6-20(24)29)23-14-30-13-22(32-23)16-12-31-35(15-16)9-10-38(3,36)37/h4-6,11-15,18H,7-10H2,1-3H3/t18-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497511 ((1S)-2-methyl-1-[2-[6-[(1R,8R)-5-(2,6- difluorophe...) Show SMILES CC(C)[C@@H](O)c1coc(n1)-c1cncc(n1)[C@@]12CC[C@@H](c3cc(nnc13)-c1c(F)cccc1F)C2(C)C |r,TLB:24:25:18.17:34,21:20:18.17:34| Show InChI InChI=1S/C28H27F2N5O2/c1-14(2)24(36)21-13-37-26(33-21)20-11-31-12-22(32-20)28-9-8-16(27(28,3)4)15-10-19(34-35-25(15)28)23-17(29)6-5-7-18(23)30/h5-7,10-14,16,24,36H,8-9H2,1-4H3/t16-,24+,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM497645 (3-[4-[6-[(1S,8R)-5-(2,6-difluorophenyl)- 11,11-dim...) Show SMILES CC1(C)[C@H]2CC[C@@]1(c1nnc(cc21)-c1c(F)cccc1F)c1cncc(n1)-c1cnn(CCC(N)=O)c1 |r,THB:8:7:4.5:1,11:12:4.5:1| Show InChI InChI=1S/C27H25F2N7O/c1-26(2)17-6-8-27(26,25-16(17)10-20(34-35-25)24-18(28)4-3-5-19(24)29)22-13-31-12-21(33-22)15-11-32-36(14-15)9-7-23(30)37/h3-5,10-14,17H,6-9H2,1-2H3,(H2,30,37)/t17-,27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description 50 mM HEPES buffer (pH 7.4); 150 mM NaCl; 1 mM DTT; 5 mM MgCl2; 0.01% BSA; 5% DMSO; 0.6 ug/mL RORc receptor; 6 nM 25-[3H]hydroxycholesterol. For NSB ...				US Patent US11008312 (2021) BindingDB Entry DOI: 10.7270/Q24M97NW
					More data for this Ligand-Target Pair

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