Compile Data Set for Download or QSAR

Found 93 hits of ec50 for UniProtKB: P51449   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM50106285 (CHEMBL3596279 | US9550771, Example 91) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cccnc12 Show InChI InChI=1S/C23H16ClN3O4/c24-16-4-1-3-14(12-5-6-12)18(16)20(29)22-26-19(21-25-9-2-10-27(21)22)13-7-8-15(23(30)31)17(28)11-13/h1-4,7-12,28H,5-6H2,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268455 (4-[8-chloro-3-(2-chloro-6- cyclopropyl- benzoyl)im...) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cccc(Cl)c12 Show InChI InChI=1S/C24H16Cl2N2O4/c25-16-4-1-3-14(12-6-7-12)19(16)22(30)23-27-20(21-17(26)5-2-10-28(21)23)13-8-9-15(24(31)32)18(29)11-13/h1-5,8-12,29H,6-7H2,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM50106287 (CHEMBL3598148 | US9550771, Example 17) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12 Show InChI InChI=1S/C22H12ClF3N2O4/c23-14-5-3-4-13(22(24,25)26)17(14)19(30)20-27-18(15-6-1-2-9-28(15)20)11-7-8-12(21(31)32)16(29)10-11/h1-10,29H,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	US Patent	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268417 (4-[3-(2,6- dichlorobenzoyl)imidazo[1,5 a]pyridin-1...) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2Cl)n2ccccc12 Show InChI InChI=1S/C21H12Cl2N2O4/c22-13-4-3-5-14(23)17(13)19(27)20-24-18(15-6-1-2-9-25(15)20)11-7-8-12(21(28)29)16(26)10-11/h1-10,26H,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268454 (4-[3-(2-chloro-6-morpholino- benzoyl)imidazo[1,5-a...) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2N2CCOCC2)n2ccccc12 Show InChI InChI=1S/C25H20ClN3O5/c26-17-4-3-6-18(28-10-12-34-13-11-28)21(17)23(31)24-27-22(19-5-1-2-9-29(19)24)15-7-8-16(25(32)33)20(30)14-15/h1-9,14,30H,10-13H2,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268449 (4-[6-(azetidine-1-carbonyl)-3-(2- chloro-6-cyclopr...) Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cc(ccc12)C(=O)N1CCC1 Show InChI InChI=1S/C28H22ClN3O4/c29-21-4-1-3-20(16-5-6-16)23(21)25(33)26-30-24(17-7-9-18(10-8-17)28(35)36)22-12-11-19(15-32(22)26)27(34)31-13-2-14-31/h1,3-4,7-12,15-16H,2,5-6,13-14H2,(H,35,36)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268425 (4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2CCCCc12 Show InChI InChI=1S/C22H16ClF3N2O4/c23-14-5-3-4-13(22(24,25)26)17(14)19(30)20-27-18(15-6-1-2-9-28(15)20)11-7-8-12(21(31)32)16(29)10-11/h3-5,7-8,10,29H,1-2,6,9H2,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268439 (4-[3-(2- cyclopropylbenzoyl)imidazo[1,5- a]pyridin...) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2ccccc2C2CC2)n2ccccc12 Show InChI InChI=1S/C24H18N2O4/c27-20-13-15(10-11-18(20)24(29)30)21-19-7-3-4-12-26(19)23(25-21)22(28)17-6-2-1-5-16(17)14-8-9-14/h1-7,10-14,27H,8-9H2,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268413 (2-hydroxy-4-[3-[2- (trifluoromethyl)benzoyl]imidaz...) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2ccccc2C(F)(F)F)n2ccccc12 Show InChI InChI=1S/C22H13F3N2O4/c23-22(24,25)15-6-2-1-5-13(15)19(29)20-26-18(16-7-3-4-10-27(16)20)12-8-9-14(21(30)31)17(28)11-12/h1-11,28H,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268479 (4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...) Show SMILES OC(=O)c1c(O)cc(cc1F)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2CCCCc12 Show InChI InChI=1S/C22H15ClF4N2O4/c23-12-5-3-4-11(22(25,26)27)16(12)19(31)20-28-18(14-6-1-2-7-29(14)20)10-8-13(24)17(21(32)33)15(30)9-10/h3-5,8-9,30H,1-2,6-7H2,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268483 (4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...) Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3CCCCc23)c(F)c1O Show InChI InChI=1S/C22H15ClF4N2O4/c23-13-5-3-4-12(22(25,26)27)15(13)19(31)20-28-17(14-6-1-2-9-29(14)20)10-7-8-11(21(32)33)18(30)16(10)24/h3-5,7-8,30H,1-2,6,9H2,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268481 (4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...) Show SMILES OC(=O)c1cc(F)c(cc1O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2CCCCc12 Show InChI InChI=1S/C22H15ClF4N2O4/c23-13-5-3-4-12(22(25,26)27)17(13)19(31)20-28-18(15-6-1-2-7-29(15)20)10-9-16(30)11(21(32)33)8-14(10)24/h3-5,8-9,30H,1-2,6-7H2,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268474 (4-[3-[2-bromo-6- (trifluoromethyl)benzoyl]-5,6,7,8...) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Br)cccc2C(F)(F)F)n2CCCCc12 Show InChI InChI=1S/C22H16BrF3N2O4/c23-14-5-3-4-13(22(24,25)26)17(14)19(30)20-27-18(15-6-1-2-9-28(15)20)11-7-8-12(21(31)32)16(29)10-11/h3-5,7-8,10,29H,1-2,6,9H2,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268444 (4-[3-(2-chloro-6-cyclopropyl- benzoyl)-6- (dimethy...) Show SMILES CN(C)C(=O)c1ccc2c(nc(C(=O)c3c(Cl)cccc3C3CC3)n2c1)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C27H22ClN3O4/c1-30(2)26(33)18-12-13-21-23(16-8-10-17(11-9-16)27(34)35)29-25(31(21)14-18)24(32)22-19(15-6-7-15)4-3-5-20(22)28/h3-5,8-15H,6-7H2,1-2H3,(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268475 (4-[3-(2-bromo-6-chloro-benzoyl)- 5,6,7,8-tetrahydr...) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2Br)n2CCCCc12 Show InChI InChI=1S/C21H16BrClN2O4/c22-13-4-3-5-14(23)17(13)19(27)20-24-18(15-6-1-2-9-25(15)20)11-7-8-12(21(28)29)16(26)10-11/h3-5,7-8,10,26H,1-2,6,9H2,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268427 (2-acetoxy-4-[3-[2-chloro-6- (trifluoromethyl)benzo...) Show SMILES CC(=O)Oc1cc(ccc1C(O)=O)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12 Show InChI InChI=1S/C24H14ClF3N2O5/c1-12(31)35-18-11-13(8-9-14(18)23(33)34)20-17-7-2-3-10-30(17)22(29-20)21(32)19-15(24(26,27)28)5-4-6-16(19)25/h2-11H,1H3,(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	7	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268469 (4-[3-(2,6-dichlorobenzoyl)- 5,6,7,8-tetrahydroimid...) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2c(Cl)cccc2Cl)n2CCCCc12 Show InChI InChI=1S/C21H16Cl2N2O4/c22-13-4-3-5-14(23)17(13)19(27)20-24-18(15-6-1-2-9-25(15)20)11-7-8-12(21(28)29)16(26)10-11/h3-5,7-8,10,26H,1-2,6,9H2,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268404 (4-(3-(2-(Trifluoromethyl)benzoyl)imidazo[1,5-a]pyr...) Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3Cl)n3ccccc23)c(F)c1 Show InChI InChI=1S/C21H11Cl2FN2O3/c22-13-4-3-5-14(23)17(13)19(27)20-25-18(16-6-1-2-9-26(16)20)12-8-7-11(21(28)29)10-15(12)24/h1-10H,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	8	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268435 (4-[3-(2-chloro-6-cyclopropyl- benzoyl)imidazo[1,5-...) Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2ccccc12 Show InChI InChI=1S/C24H17ClN2O3/c25-18-5-3-4-17(14-7-8-14)20(18)22(28)23-26-21(19-6-1-2-13-27(19)23)15-9-11-16(12-10-15)24(29)30/h1-6,9-14H,7-8H2,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM50106288 (CHEMBL3598149 | US9550771, Example 28) Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3ccccc23)c(F)c1 Show InChI InChI=1S/C22H11ClF4N2O3/c23-14-5-3-4-13(22(25,26)27)17(14)19(30)20-28-18(16-6-1-2-9-29(16)20)12-8-7-11(21(31)32)10-15(12)24/h1-10H,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268491 (4-[3-(2-chloro-6-cyclopropyl- benzoyl)-5,6,7,8- te...) Show SMILES Cc1cc(C(O)=O)c(O)cc1-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2CCCCc12 Show InChI InChI=1S/C25H23ClN2O4/c1-13-11-17(25(31)32)20(29)12-16(13)22-19-7-2-3-10-28(19)24(27-22)23(30)21-15(14-8-9-14)5-4-6-18(21)26/h4-6,11-12,14,29H,2-3,7-10H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM50106286 (CHEMBL3598141 | US9550771, Example 27) Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12 Show InChI InChI=1S/C22H12ClF3N2O3/c23-15-5-3-4-14(22(24,25)26)17(15)19(29)20-27-18(16-6-1-2-11-28(16)20)12-7-9-13(10-8-12)21(30)31/h1-11H,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268482 (4-[3-[2-chloro-6- (trifluoromethyl)benzoyl]-5,6,7,...) Show SMILES Cc1cc(C(O)=O)c(O)cc1-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2CCCCc12 Show InChI InChI=1S/C23H18ClF3N2O4/c1-11-9-13(22(32)33)17(30)10-12(11)19-16-7-2-3-8-29(16)21(28-19)20(31)18-14(23(25,26)27)5-4-6-15(18)24/h4-6,9-10,30H,2-3,7-8H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268461 ((3S,4R)-1-[8-chloro-3-(2-chloro- 6-cyclopropyl- be...) Show SMILES O[C@@H]1CN(CC[C@H]1C(O)=O)c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cccc(Cl)c12 |r| Show InChI InChI=1S/C23H21Cl2N3O4/c24-15-4-1-3-13(12-6-7-12)18(15)20(30)22-26-21(19-16(25)5-2-9-28(19)22)27-10-8-14(23(31)32)17(29)11-27/h1-5,9,12,14,17,29H,6-8,10-11H2,(H,31,32)/t14-,17-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268478 (2-hydroxy-4-[3-[2-methyl-6- (trifluoromethyl)benzo...) Show SMILES Cc1cccc(c1C(=O)c1nc(c2CCCCn12)-c1ccc(C(O)=O)c(O)c1)C(F)(F)F Show InChI InChI=1S/C23H19F3N2O4/c1-12-5-4-6-15(23(24,25)26)18(12)20(30)21-27-19(16-7-2-3-10-28(16)21)13-8-9-14(22(31)32)17(29)11-13/h4-6,8-9,11,29H,2-3,7,10H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268457 ((3S,4R)-1-[3-(2-chloro-6- cyclopropyl-benzoyl)-6- ...) Show SMILES CN(C)C(=O)c1ccc2c(nc(C(=O)c3c(Cl)cccc3C3CC3)n2c1)N1CC[C@H]([C@H](O)C1)C(O)=O |r| Show InChI InChI=1S/C26H27ClN4O5/c1-29(2)25(34)15-8-9-19-23(30-11-10-17(26(35)36)20(32)13-30)28-24(31(19)12-15)22(33)21-16(14-6-7-14)4-3-5-18(21)27/h3-5,8-9,12,14,17,20,32H,6-7,10-11,13H2,1-2H3,(H,35,36)/t17-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	19	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268445 (4-[3-(2-chloro-6-cyclopropyl- benzoyl)-6- (dimethy...) Show SMILES CN(C)C(=O)c1ccc2c(nc(C(=O)c3c(Cl)cccc3C3CC3)n2c1)C1=CCC(CC1)C(O)=O |t:30| Show InChI InChI=1S/C27H26ClN3O4/c1-30(2)26(33)18-12-13-21-23(16-8-10-17(11-9-16)27(34)35)29-25(31(21)14-18)24(32)22-19(15-6-7-15)4-3-5-20(22)28/h3-5,8,12-15,17H,6-7,9-11H2,1-2H3,(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	22	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268402 (4-(3-(2,6-Dichlorobenzoyl)imidazo[1,5-a]pyridin-1-...) Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2Cl)n2ccccc12 Show InChI InChI=1S/C21H12Cl2N2O3/c22-14-4-3-5-15(23)17(14)19(26)20-24-18(16-6-1-2-11-25(16)20)12-7-9-13(10-8-12)21(27)28/h1-11H,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM50106290 (CHEMBL3596276 | US9550771, Example 89) Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C3CC3)n3CCCCc23)c(F)c1 Show InChI InChI=1S/C24H20ClFN2O3/c25-17-5-3-4-15(13-7-8-13)20(17)22(29)23-27-21(19-6-1-2-11-28(19)23)16-10-9-14(24(30)31)12-18(16)26/h3-5,9-10,12-13H,1-2,6-8,11H2,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268450 ((3S,4R)-1-[3-(2-chloro-6- cyclopropyl- benzoyl)imi...) Show SMILES O[C@@H]1CN(CC[C@H]1C(O)=O)c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2ccccc12 |r| Show InChI InChI=1S/C23H22ClN3O4/c24-16-5-3-4-14(13-7-8-13)19(16)20(29)22-25-21(17-6-1-2-10-27(17)22)26-11-9-15(23(30)31)18(28)12-26/h1-6,10,13,15,18,28H,7-9,11-12H2,(H,30,31)/t15-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	29	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM50106289 (CHEMBL3596270 | US9550771, Example 21) Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3CCCCc23)c(F)c1 Show InChI InChI=1S/C22H15ClF4N2O3/c23-14-5-3-4-13(22(25,26)27)17(14)19(30)20-28-18(16-6-1-2-9-29(16)20)12-8-7-11(21(31)32)10-15(12)24/h3-5,7-8,10H,1-2,6,9H2,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268436 (4-[3-(2-chloro-6-cyclopropyl- benzoyl)imidazo[1,5-...) Show SMILES OC(=O)C1CCC(=CC1)c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2ccccc12 |c:6| Show InChI InChI=1S/C24H21ClN2O3/c25-18-5-3-4-17(14-7-8-14)20(18)22(28)23-26-21(19-6-1-2-13-27(19)23)15-9-11-16(12-10-15)24(29)30/h1-6,9,13-14,16H,7-8,10-12H2,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	45	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268463 (2-hydroxy-4-[3-[2- (trifluoromethyl)benzoyl]-5,6,7...) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2ccccc2C(F)(F)F)n2CCCCc12 Show InChI InChI=1S/C22H17F3N2O4/c23-22(24,25)15-6-2-1-5-13(15)19(29)20-26-18(16-7-3-4-10-27(16)20)12-8-9-14(21(30)31)17(28)11-12/h1-2,5-6,8-9,11,28H,3-4,7,10H2,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	49	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268448 (2-hydroxy-4-[3-(2- morpholinobenzoyl)imidazo[1,5- ...) Show SMILES OC(=O)c1ccc(cc1O)-c1nc(C(=O)c2ccccc2N2CCOCC2)n2ccccc12 Show InChI InChI=1S/C25H21N3O5/c29-21-15-16(8-9-18(21)25(31)32)22-20-7-3-4-10-28(20)24(26-22)23(30)17-5-1-2-6-19(17)27-11-13-33-14-12-27/h1-10,15,29H,11-14H2,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268456 (1-[6-(azetidine-1-carbonyl)-3-(2- chloro-6-cyclopr...) Show SMILES OC1CN(CCC1C(O)=O)c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2cc(ccc12)C(=O)N1CCC1 Show InChI InChI=1S/C27H27ClN4O5/c28-19-4-1-3-17(15-5-6-15)22(19)23(34)25-29-24(31-12-9-18(27(36)37)21(33)14-31)20-8-7-16(13-32(20)25)26(35)30-10-2-11-30/h1,3-4,7-8,13,15,18,21,33H,2,5-6,9-12,14H2,(H,36,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	50	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM50106302 (CHEMBL3598142 | US9550771, Example 22) Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2CCCCc12 Show InChI InChI=1S/C22H16ClF3N2O3/c23-15-5-3-4-14(22(24,25)26)17(15)19(29)20-27-18(16-6-1-2-11-28(16)20)12-7-9-13(10-8-12)21(30)31/h3-5,7-10H,1-2,6,11H2,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	58	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268450 ((3S,4R)-1-[3-(2-chloro-6- cyclopropyl- benzoyl)imi...) Show SMILES O[C@@H]1CN(CC[C@H]1C(O)=O)c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2ccccc12 |r| Show InChI InChI=1S/C23H22ClN3O4/c24-16-5-3-4-14(13-7-8-13)19(16)20(29)22-25-21(17-6-1-2-10-27(17)22)26-11-9-15(23(30)31)18(28)12-26/h1-6,10,13,15,18,28H,7-9,11-12H2,(H,30,31)/t15-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	63	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268459 (1-[3-(2-chloro-6-cyclopropyl- benzoyl)-6-(3-methox...) Show SMILES COC1CN(C1)C(=O)c1ccc2c(nc(C(=O)c3c(Cl)cccc3C3CC3)n2c1)N1CCC(C(O)C1)C(O)=O Show InChI InChI=1S/C28H29ClN4O6/c1-39-17-12-32(13-17)27(36)16-7-8-21-25(31-10-9-19(28(37)38)22(34)14-31)30-26(33(21)11-16)24(35)23-18(15-5-6-15)3-2-4-20(23)29/h2-4,7-8,11,15,17,19,22,34H,5-6,9-10,12-14H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	70	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268438 (1-[3-[2-chloro-6- (trifluoromethyl)benzoyl]imidazo...) Show SMILES OC1CN(CCC1C(O)=O)c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12 Show InChI InChI=1S/C21H17ClF3N3O4/c22-13-5-3-4-12(21(23,24)25)16(13)17(30)19-26-18(14-6-1-2-8-28(14)19)27-9-7-11(20(31)32)15(29)10-27/h1-6,8,11,15,29H,7,9-10H2,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	72	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM50106296 (CHEMBL3596273 | US9550771, Example 69) Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3Cl)n3CCCCc23)c(F)c1 Show InChI InChI=1S/C21H15Cl2FN2O3/c22-13-4-3-5-14(23)17(13)19(27)20-25-18(16-6-1-2-9-26(16)20)12-8-7-11(21(28)29)10-15(12)24/h3-5,7-8,10H,1-2,6,9H2,(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	77	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268406 (1-(3-(2-chloro-6-(trifluoromethyl)benzoyl)imidazo[...) Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3ccccc23)c(F)c1 Show InChI InChI=1S/C22H12F4N2O3/c23-16-11-12(21(30)31)8-9-14(16)18-17-7-3-4-10-28(17)20(27-18)19(29)13-5-1-2-6-15(13)22(24,25)26/h1-11H,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	77	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268419 (4-[6-(2,6- dichlorobenzoyl)imidazo[1,5- a]pyrimidi...) Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2c(Cl)cccc2Cl)n2cccnc12 Show InChI InChI=1S/C20H11Cl2N3O3/c21-13-3-1-4-14(22)15(13)17(26)19-24-16(18-23-9-2-10-25(18)19)11-5-7-12(8-6-11)20(27)28/h1-10H,(H,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	84	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM50106293 (CHEMBL3596269 | US9550771, Example 41) Show SMILES O[C@@H]1CN(CC[C@H]1C(O)=O)c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12 |r| Show InChI InChI=1S/C21H17ClF3N3O4/c22-13-5-3-4-12(21(23,24)25)16(13)17(30)19-26-18(14-6-1-2-8-28(14)19)27-9-7-11(20(31)32)15(29)10-27/h1-6,8,11,15,29H,7,9-10H2,(H,31,32)/t11-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	n/a	n/a	97	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM50106325 (CHEMBL3598150 | US9550771, Example 29) Show SMILES OC(=O)C1CCC(=CC1)c1nc(C(=O)c2c(Cl)cccc2C(F)(F)F)n2ccccc12 |c:6| Show InChI InChI=1S/C22H16ClF3N2O3/c23-15-5-3-4-14(22(24,25)26)17(15)19(29)20-27-18(16-6-1-2-11-28(16)20)12-7-9-13(10-8-12)21(30)31/h1-7,11,13H,8-10H2,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	n/a	103	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268447 (4-[3-(2-chloro-6-cyclopropyl- benzoyl)imidazo[1,5-...) Show SMILES OCc1cc(ccc1-c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2ccccc12)C(O)=O Show InChI InChI=1S/C25H19ClN2O4/c26-19-5-3-4-17(14-7-8-14)21(19)23(30)24-27-22(20-6-1-2-11-28(20)24)18-10-9-15(25(31)32)12-16(18)13-29/h1-6,9-12,14,29H,7-8,13H2,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	109	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268440 (6-[3-[2-chloro-6- (trifluoromethyl)benzoyl]imidazo...) Show SMILES FC(F)(F)c1cccc(Cl)c1C(=O)c1nc(-c2ccc3C(=O)NS(=O)(=O)c3c2)c2ccccn12 Show InChI InChI=1S/C22H11ClF3N3O4S/c23-14-5-3-4-13(22(24,25)26)17(14)19(30)20-27-18(15-6-1-2-9-29(15)20)11-7-8-12-16(10-11)34(32,33)28-21(12)31/h1-10H,(H,28,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	111	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268446 (1-[3-(2-chloro-6-cyclopropyl- benzoyl)imidazo[1,5-...) Show SMILES OC1CN(CCC1C(O)=O)c1nc(C(=O)c2c(Cl)cccc2C2CC2)n2ccccc12 Show InChI InChI=1S/C23H22ClN3O4/c24-16-5-3-4-14(13-7-8-13)19(16)20(29)22-25-21(17-6-1-2-10-27(17)22)26-11-9-15(23(30)31)18(28)12-26/h1-6,10,13,15,18,28H,7-9,11-12H2,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	139	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268426 (3-chloro-4-[3-[2-chloro-6- (trifluoromethyl)benzoy...) Show SMILES OC(=O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3CCCCc23)c(Cl)c1 Show InChI InChI=1S/C22H15Cl2F3N2O3/c23-14-5-3-4-13(22(25,26)27)17(14)19(30)20-28-18(16-6-1-2-9-29(16)20)12-8-7-11(21(31)32)10-15(12)24/h3-5,7-8,10H,1-2,6,9H2,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	171	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268407 (4-[3-[2- (trifluoromethyl)benzoyl]imidazo [1,5-a]p...) Show SMILES OC(=O)c1ccc(cc1)-c1nc(C(=O)c2ccccc2C(F)(F)F)n2ccccc12 Show InChI InChI=1S/C22H13F3N2O3/c23-22(24,25)16-6-2-1-5-15(16)19(28)20-26-18(17-7-3-4-12-27(17)20)13-8-10-14(11-9-13)21(29)30/h1-12H,(H,29,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	179	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma [262-507] (Homo sapiens (Human))	BDBM268416 (3,5-difluoro-4-[3-[2- (trifluoromethyl)benzoyl]imi...) Show SMILES OC(=O)c1cc(F)c(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3ccccc23)c(F)c1 |(-6.85,2.72,;-6.45,1.23,;-7.54,.14,;-4.96,.83,;-3.88,1.92,;-2.39,1.52,;-1.3,2.61,;-1.99,.03,;-.5,-.36,;.74,.54,;1.99,-.36,;3.48,.03,;4.57,-1.06,;3.88,1.52,;2.79,2.61,;3.19,4.1,;4.67,4.5,;5.76,3.41,;5.36,1.92,;6.45,.83,;7.54,-.26,;7.54,1.92,;5.36,-.26,;1.51,-1.83,;2.28,-3.16,;1.51,-4.5,;-.03,-4.5,;-.8,-3.16,;-.03,-1.83,;-3.08,-1.06,;-2.68,-2.54,;-4.57,-.66,)| Show InChI InChI=1S/C22H11F5N2O3/c23-14-9-11(21(31)32)10-15(24)17(14)18-16-7-3-4-8-29(16)20(28-18)19(30)12-5-1-2-6-13(12)22(25,26)27/h1-10H,(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	189	n/a	n/a	n/a	25
Genentech, Inc. US Patent					Assay Description ssays were carried out in 16-μL reaction volumes in black 384 Plus F Proxiplates (Perkin-Elmer 6008269). All assay components except test ligand...				US Patent US9550771 (2017) BindingDB Entry DOI: 10.7270/Q2417036
					More data for this Ligand-Target Pair

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