Compile Data Set for Download or QSAR

Found 205 hits with Last Name = 'shah' and Initial = 'f'   

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
Type-1 angiotensin II receptor A (RAT)	BDBM50043280 (4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidaz...) Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(cc1)-c1ccccc1C(O)=O)-c1nc2ccccc2n1C Show InChI InChI=1S/C33H30N4O2/c1-4-9-30-35-31-21(2)18-24(32-34-27-12-7-8-13-28(27)36(32)3)19-29(31)37(30)20-22-14-16-23(17-15-22)25-10-5-6-11-26(25)33(38)39/h5-8,10-19H,4,9,20H2,1-3H3,(H,38,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303975 (3'-(4-(2-(1H-Tetrazol-5-yl)ethyl)benzyl)-1,7'-dime...) Show SMILES CCCc1nc2c(C)cc(cc2n1Cc1ccc(CCc2nnn[nH]2)cc1)-c1nc2ccccc2n1C Show InChI InChI=1S/C29H30N8/c1-4-7-27-31-28-19(2)16-22(29-30-23-8-5-6-9-24(23)36(29)3)17-25(28)37(27)18-21-12-10-20(11-13-21)14-15-26-32-34-35-33-26/h5-6,8-13,16-17H,4,7,14-15,18H2,1-3H3,(H,32,33,34,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466891 (CHEMBL4281109) Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)ccc12 Show InChI InChI=1S/C28H31N5O2/c1-32-18-24(20-10-13-33(14-11-20)28(35)21-5-3-2-4-6-21)23-16-22(7-8-26(23)32)31-27(34)25-15-19(17-29)9-12-30-25/h7-9,12,15-16,18,20-21H,2-6,10-11,13-14H2,1H3,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cell...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466897 (CHEMBL4287715) Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)ccc12 Show InChI InChI=1S/C27H29N5O2/c1-31-17-23(19-9-12-32(13-10-19)27(34)20-4-2-3-5-20)22-15-21(6-7-25(22)31)30-26(33)24-14-18(16-28)8-11-29-24/h6-8,11,14-15,17,19-20H,2-5,9-10,12-13H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cell...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466893 (CHEMBL4291727) Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cccc(c3)C#N)ccc12 Show InChI InChI=1S/C28H30N4O2/c1-31-18-25(20-11-13-32(14-12-20)28(34)21-6-2-3-7-21)24-16-23(9-10-26(24)31)30-27(33)22-8-4-5-19(15-22)17-29/h4-5,8-10,15-16,18,20-21H,2-3,6-7,11-14H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cell...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466892 (CHEMBL4283871) Show SMILES O=C(Nc1ccc2[nH]cc(C3CCN(CC3)C(=O)C3CCCC3)c2c1)c1cccc(c1)C#N Show InChI InChI=1S/C27H28N4O2/c28-16-18-4-3-7-21(14-18)26(32)30-22-8-9-25-23(15-22)24(17-29-25)19-10-12-31(13-11-19)27(33)20-5-1-2-6-20/h3-4,7-9,14-15,17,19-20,29H,1-2,5-6,10-13H2,(H,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cell...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303976 (3'-(2-(4-(2-(1H-Tetrazol-5-yl)ethyl)phenoxy)ethyl)...) Show SMILES CCCc1nc2c(C)cc(cc2n1CCOc1ccc(CCc2nnn[nH]2)cc1)-c1nc2ccccc2n1C Show InChI InChI=1S/C30H32N8O/c1-4-7-28-32-29-20(2)18-22(30-31-24-8-5-6-9-25(24)37(30)3)19-26(29)38(28)16-17-39-23-13-10-21(11-14-23)12-15-27-33-35-36-34-27/h5-6,8-11,13-14,18-19H,4,7,12,15-17H2,1-3H3,(H,33,34,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303977 (3-(4-(2-(1,7'-Dimethyl-2'-propyl-1H,3'H-2,5'-biben...) Show SMILES CCCc1nc2c(C)cc(cc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(O)=O)cc1)-c1nc2ccccc2n1C Show InChI InChI=1S/C37H38N4O4/c1-5-11-33-39-34-25(2)22-27(35-38-30-14-9-10-15-31(30)40(35)4)23-32(34)41(33)20-21-44-28-18-16-26(17-19-28)24-37(3,36(42)43)45-29-12-7-6-8-13-29/h6-10,12-19,22-23H,5,11,20-21,24H2,1-4H3,(H,42,43)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303979 (CHEMBL571763 | Ethyl 3-(4-(2-(1,7'-Dimethyl-2'-pro...) Show SMILES CCCc1nc2c(C)cc(cc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)OCC)cc1)-c1nc2ccccc2n1C Show InChI InChI=1S/C39H42N4O4/c1-6-13-35-41-36-27(3)24-29(37-40-32-16-11-12-17-33(32)42(37)5)25-34(36)43(35)22-23-46-30-20-18-28(19-21-30)26-39(4,38(44)45-7-2)47-31-14-9-8-10-15-31/h8-12,14-21,24-25H,6-7,13,22-23,26H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303978 (1-(4-(2-(1H-tetrazol-5-yl)ethyl)benzyl)-4-methyl-2...) Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(CCc2nnn[nH]2)cc1 Show InChI InChI=1S/C21H24N6/c1-3-5-20-22-21-15(2)6-4-7-18(21)27(20)14-17-10-8-16(9-11-17)12-13-19-23-25-26-24-19/h4,6-11H,3,5,12-14H2,1-2H3,(H,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303980 (1-(4-((1H-Tetrazol-5-yl)methoxy)benzyl)-4-methyl-2...) Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(OCc2nnn[nH]2)cc1 Show InChI InChI=1S/C20H22N6O/c1-3-5-19-21-20-14(2)6-4-7-17(20)26(19)12-15-8-10-16(11-9-15)27-13-18-22-24-25-23-18/h4,6-11H,3,5,12-13H2,1-2H3,(H,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.06E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303986 (CHEMBL584704 | Ethyl 2-Methyl-3-(4-(2-(4-methyl-2-...) Show SMILES CCCc1nc2c(C)cccc2n1CCOc1ccc(CC(C)(Oc2ccccc2)C(=O)OCC)cc1 Show InChI InChI=1S/C31H36N2O4/c1-5-11-28-32-29-23(3)12-10-15-27(29)33(28)20-21-36-25-18-16-24(17-19-25)22-31(4,30(34)35-6-2)37-26-13-8-7-9-14-26/h7-10,12-19H,5-6,11,20-22H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303985 (CHEMBL567269 | Ethyl 2,2-Dimethyl-3-(4-(2-(4-methy...) Show SMILES CCCc1nc2c(C)cccc2n1CCOc1ccc(CC(C)(C)C(=O)OCC)cc1 Show InChI InChI=1S/C26H34N2O3/c1-6-9-23-27-24-19(3)10-8-11-22(24)28(23)16-17-31-21-14-12-20(13-15-21)18-26(4,5)25(29)30-7-2/h8,10-15H,6-7,9,16-18H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303983 (CHEMBL565793 | ethyl 2-(4-((4-methyl-2-propyl-1H-b...) Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(OCC(=O)OCC)cc1 Show InChI InChI=1S/C22H26N2O3/c1-4-7-20-23-22-16(3)8-6-9-19(22)24(20)14-17-10-12-18(13-11-17)27-15-21(25)26-5-2/h6,8-13H,4-5,7,14-15H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303982 (CHEMBL567689 | Methyl 3-(4-((4-Methyl-2-propyl-1H-...) Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(CCC(=O)OCC)cc1 Show InChI InChI=1S/C23H28N2O2/c1-4-7-21-24-23-17(3)8-6-9-20(23)25(21)16-19-12-10-18(11-13-19)14-15-22(26)27-5-2/h6,8-13H,4-5,7,14-16H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303981 (CHEMBL567063 | Ethyl 3-(4-((4-Methyl-2-propyl-1H-b...) Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(\C=C\C(=O)OCC)cc1 Show InChI InChI=1S/C23H26N2O2/c1-4-7-21-24-23-17(3)8-6-9-20(23)25(21)16-19-12-10-18(11-13-19)14-15-22(26)27-5-2/h6,8-15H,4-5,7,16H2,1-3H3/b15-14+	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor A (RAT)	BDBM50303984 (CHEMBL565379 | Ethyl 2-Methyl-2-(4-((4-methyl-2-pr...) Show SMILES CCCc1nc2c(C)cccc2n1Cc1ccc(OC(C)(C)C(=O)OCC)cc1 Show InChI InChI=1S/C24H30N2O3/c1-6-9-21-25-22-17(3)10-8-11-20(22)26(21)16-18-12-14-19(15-13-18)29-24(4,5)23(27)28-7-2/h8,10-15H,6-7,9,16H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [125I]SI-Ang2 from AT1 receptor in Sprague-Dawley rat liver membrane				J Med Chem 53: 1076-85 (2010) Article DOI: 10.1021/jm901272d BindingDB Entry DOI: 10.7270/Q22V2H2Q
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466913 (CHEMBL4289304) Show SMILES CCn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)ccc12 Show InChI InChI=1S/C28H31N5O2/c1-2-32-18-24(20-10-13-33(14-11-20)28(35)21-5-3-4-6-21)23-16-22(7-8-26(23)32)31-27(34)25-15-19(17-29)9-12-30-25/h7-9,12,15-16,18,20-21H,2-6,10-11,13-14H2,1H3,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Displacement of [3H]-25-hydroxycholesterol from human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cell...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466890 (CHEMBL4290728) Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)ccc2n(C)cc(C3CCN(CC3)C(=O)C3CCCC3)c12 Show InChI InChI=1S/C29H32N4O2/c1-19-25(31-28(34)23-9-5-6-20(16-23)17-30)10-11-26-27(19)24(18-32(26)2)21-12-14-33(15-13-21)29(35)22-7-3-4-8-22/h5-6,9-11,16,18,21-22H,3-4,7-8,12-15H2,1-2H3,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at RORC2 in human Th17 cells assessed as inhibition of IL17A production after 6 days by sandwich ELISA				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM189877 (US10227346, Example 5 | US10426135, Example 5 | US...) Show SMILES CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F Show InChI InChI=1S/C26H26F3N5O2/c1-15(2)25(36)34-9-7-17(8-10-34)19-14-33(3)23-21(19)22(26(27,28)29)20(13-31-23)32-24(35)18-6-4-5-16(11-18)12-30/h4-6,11,13-15,17H,7-10H2,1-3H3,(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466912 (CHEMBL4283051) Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)cnc12 Show InChI InChI=1S/C26H28N6O2/c1-31-16-22(18-7-10-32(11-8-18)26(34)19-4-2-3-5-19)21-13-20(15-29-24(21)31)30-25(33)23-12-17(14-27)6-9-28-23/h6,9,12-13,15-16,18-19H,2-5,7-8,10-11H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466890 (CHEMBL4290728) Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)ccc2n(C)cc(C3CCN(CC3)C(=O)C3CCCC3)c12 Show InChI InChI=1S/C29H32N4O2/c1-19-25(31-28(34)23-9-5-6-20(16-23)17-30)10-11-26-27(19)24(18-32(26)2)21-12-14-33(15-13-21)29(35)22-7-3-4-8-22/h5-6,9-11,16,18,21-22H,3-4,7-8,12-15H2,1-2H3,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466897 (CHEMBL4287715) Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)ccc12 Show InChI InChI=1S/C27H29N5O2/c1-31-17-23(19-9-12-32(13-10-19)27(34)20-4-2-3-5-20)22-15-21(6-7-25(22)31)30-26(33)24-14-18(16-28)8-11-29-24/h6-8,11,14-15,17,19-20H,2-5,9-10,12-13H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466891 (CHEMBL4281109) Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)ccc12 Show InChI InChI=1S/C28H31N5O2/c1-32-18-24(20-10-13-33(14-11-20)28(35)21-5-3-2-4-6-21)23-16-22(7-8-26(23)32)31-27(34)25-15-19(17-29)9-12-30-25/h7-9,12,15-16,18,20-21H,2-6,10-11,13-14H2,1H3,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466893 (CHEMBL4291727) Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cccc(c3)C#N)ccc12 Show InChI InChI=1S/C28H30N4O2/c1-31-18-25(20-11-13-32(14-12-20)28(34)21-6-2-3-7-21)24-16-23(9-10-26(24)31)30-27(33)22-8-4-5-19(15-22)17-29/h4-5,8-10,15-16,18,20-21H,2-3,6-7,11-14H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466914 (CHEMBL4283312) Show SMILES CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3ccc(Cl)c(c3)C#N)c(C)c12 Show InChI InChI=1S/C26H28ClN5O2/c1-15(2)26(34)32-9-7-17(8-10-32)20-14-31(4)24-23(20)16(3)22(13-29-24)30-25(33)18-5-6-21(27)19(11-18)12-28/h5-6,11,13-15,17H,7-10H2,1-4H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466915 (CHEMBL4282848) Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2cc(NC(=O)c3cccc(c3)C#N)cnc12 Show InChI InChI=1S/C27H29N5O2/c1-31-17-24(19-9-11-32(12-10-19)27(34)20-6-2-3-7-20)23-14-22(16-29-25(23)31)30-26(33)21-8-4-5-18(13-21)15-28/h4-5,8,13-14,16-17,19-20H,2-3,6-7,9-12H2,1H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM189877 (US10227346, Example 5 | US10426135, Example 5 | US...) Show SMILES CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F Show InChI InChI=1S/C26H26F3N5O2/c1-15(2)25(36)34-9-7-17(8-10-34)19-14-33(3)23-21(19)22(26(27,28)29)20(13-31-23)32-24(35)18-6-4-5-16(11-18)12-30/h4-6,11,13-15,17H,7-10H2,1-3H3,(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at RORC2 in human Th17 cells assessed as inhibition of IL17A production after 6 days by sandwich ELISA				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM189922 (US10227346, Example 109 | US10426135, Example 109 ...) Show SMILES CC(C)CC(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12 Show InChI InChI=1S/C27H31N5O2/c1-17(2)12-24(33)32-10-8-20(9-11-32)22-16-31(4)26-25(22)18(3)23(15-29-26)30-27(34)21-7-5-6-19(13-21)14-28/h5-7,13,15-17,20H,8-12H2,1-4H3,(H,30,34)	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
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466908 (CHEMBL4283530) Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc(C3CCN(CC3)C(=O)C3CCCCC3)c12 Show InChI InChI=1S/C29H33N5O2/c1-19-25(32-28(35)23-10-6-7-20(15-23)16-30)17-31-27-26(19)24(18-33(27)2)21-11-13-34(14-12-21)29(36)22-8-4-3-5-9-22/h6-7,10,15,17-18,21-22H,3-5,8-9,11-14H2,1-2H3,(H,32,35)	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
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466895 (CHEMBL4281170) Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc(C3CCN(CC3)C(=O)C3CCC3)c12 Show InChI InChI=1S/C27H29N5O2/c1-17-23(30-26(33)21-8-3-5-18(13-21)14-28)15-29-25-24(17)22(16-31(25)2)19-9-11-32(12-10-19)27(34)20-6-4-7-20/h3,5,8,13,15-16,19-20H,4,6-7,9-12H2,1-2H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466909 (CHEMBL4284588) Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc(C3CCN(CC3)C(=O)CC3CC3)c12 Show InChI InChI=1S/C27H29N5O2/c1-17-23(30-27(34)21-5-3-4-19(12-21)14-28)15-29-26-25(17)22(16-31(26)2)20-8-10-32(11-9-20)24(33)13-18-6-7-18/h3-5,12,15-16,18,20H,6-11,13H2,1-2H3,(H,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466911 (CHEMBL4288376) Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc(C3CCN(CC3)C(=O)C3CCCC3)c12 Show InChI InChI=1S/C28H31N5O2/c1-18-24(31-27(34)22-9-5-6-19(14-22)15-29)16-30-26-25(18)23(17-32(26)2)20-10-12-33(13-11-20)28(35)21-7-3-4-8-21/h5-6,9,14,16-17,20-21H,3-4,7-8,10-13H2,1-2H3,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466908 (CHEMBL4283530) Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc(C3CCN(CC3)C(=O)C3CCCCC3)c12 Show InChI InChI=1S/C29H33N5O2/c1-19-25(32-28(35)23-10-6-7-20(15-23)16-30)17-31-27-26(19)24(18-33(27)2)21-11-13-34(14-12-21)29(36)22-8-4-3-5-9-22/h6-7,10,15,17-18,21-22H,3-5,8-9,11-14H2,1-2H3,(H,32,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at RORC2 in human Th17 cells assessed as inhibition of IL17A production after 6 days by sandwich ELISA				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM189909 (US10227346, Example 33 | US10426135, Example 33 | ...) Show SMILES Cc1cccc(F)c1C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12 Show InChI InChI=1S/C30H28FN5O2/c1-18-6-4-9-24(31)26(18)30(38)36-12-10-21(11-13-36)23-17-35(3)28-27(23)19(2)25(16-33-28)34-29(37)22-8-5-7-20(14-22)15-32/h4-9,14,16-17,21H,10-13H2,1-3H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at RORC2 in human Th17 cells assessed as inhibition of IL17A production after 6 days by sandwich ELISA				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466907 (CHEMBL4291498) Show SMILES CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3ccc(C)c(c3)C#N)c(C)c12 Show InChI InChI=1S/C27H31N5O2/c1-16(2)27(34)32-10-8-19(9-11-32)22-15-31(5)25-24(22)18(4)23(14-29-25)30-26(33)20-7-6-17(3)21(12-20)13-28/h6-7,12,14-16,19H,8-11H2,1-5H3,(H,30,33)	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
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466910 (CHEMBL4292862) Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc(C3CCN(CC3)C(=O)C3CC3)c12 Show InChI InChI=1S/C26H27N5O2/c1-16-22(29-25(32)20-5-3-4-17(12-20)13-27)14-28-24-23(16)21(15-30(24)2)18-8-10-31(11-9-18)26(33)19-6-7-19/h3-5,12,14-15,18-19H,6-11H2,1-2H3,(H,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM189909 (US10227346, Example 33 | US10426135, Example 33 | ...) Show SMILES Cc1cccc(F)c1C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12 Show InChI InChI=1S/C30H28FN5O2/c1-18-6-4-9-24(31)26(18)30(38)36-12-10-21(11-13-36)23-17-35(3)28-27(23)19(2)25(16-33-28)34-29(37)22-8-5-7-20(14-22)15-32/h4-9,14,16-17,21H,10-13H2,1-3H3,(H,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM189923 (US10227346, Example 110 | US10426135, Example 110 ...) Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C(C)C)c2c1C Show InChI InChI=1S/C27H31N5O3/c1-16(2)27(34)32-10-8-18(9-11-32)21-15-31(4)25-24(21)17(3)22(14-29-25)30-26(33)19-6-7-23(35-5)20(12-19)13-28/h6-7,12,14-16,18H,8-11H2,1-5H3,(H,30,33)	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
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466899 (CHEMBL4295241) Show SMILES CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12 Show InChI InChI=1S/C26H29N5O2/c1-16(2)26(33)31-10-8-19(9-11-31)21-15-30(4)24-23(21)17(3)22(14-28-24)29-25(32)20-7-5-6-18(12-20)13-27/h5-7,12,14-16,19H,8-11H2,1-4H3,(H,29,32)	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
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466904 (CHEMBL4286366) Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCC2)c2nc(NC(=O)c3cc(ccn3)C#N)ccc12 Show InChI InChI=1S/C26H28N6O2/c1-31-16-20(18-9-12-32(13-10-18)26(34)19-4-2-3-5-19)24-22(31)6-7-23(29-24)30-25(33)21-14-17(15-27)8-11-28-21/h6-8,11,14,16,18-19H,2-5,9-10,12-13H2,1H3,(H,29,30,33)	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
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466911 (CHEMBL4288376) Show SMILES Cc1c(NC(=O)c2cccc(c2)C#N)cnc2n(C)cc(C3CCN(CC3)C(=O)C3CCCC3)c12 Show InChI InChI=1S/C28H31N5O2/c1-18-24(31-27(34)22-9-5-6-19(14-22)15-29)16-30-26-25(18)23(17-32(26)2)20-10-12-33(13-11-20)28(35)21-7-3-4-8-21/h5-6,9,14,16-17,20-21H,3-4,7-8,10-13H2,1-2H3,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at RORC2 in human Th17 cells assessed as inhibition of IL17A production after 6 days by sandwich ELISA				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM189922 (US10227346, Example 109 | US10426135, Example 109 ...) Show SMILES CC(C)CC(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12 Show InChI InChI=1S/C27H31N5O2/c1-17(2)12-24(33)32-10-8-20(9-11-32)22-16-31(4)26-25(22)18(3)23(15-29-26)30-27(34)21-7-5-6-19(13-21)14-28/h5-7,13,15-17,20H,8-12H2,1-4H3,(H,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at RORC2 in human Th17 cells assessed as inhibition of IL17A production after 6 days by sandwich ELISA				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466905 (CHEMBL4285739) Show SMILES CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3ccc(F)c(c3)C#N)c(C)c12 Show InChI InChI=1S/C26H28FN5O2/c1-15(2)26(34)32-9-7-17(8-10-32)20-14-31(4)24-23(20)16(3)22(13-29-24)30-25(33)18-5-6-21(27)19(11-18)12-28/h5-6,11,13-15,17H,7-10H2,1-4H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM189923 (US10227346, Example 110 | US10426135, Example 110 ...) Show SMILES COc1ccc(cc1C#N)C(=O)Nc1cnc2n(C)cc(C3CCN(CC3)C(=O)C(C)C)c2c1C Show InChI InChI=1S/C27H31N5O3/c1-16(2)27(34)32-10-8-18(9-11-32)21-15-31(4)25-24(21)17(3)22(14-29-25)30-26(33)19-6-7-23(35-5)20(12-19)13-28/h6-7,12,14-16,18H,8-11H2,1-5H3,(H,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at RORC2 in human Th17 cells assessed as inhibition of IL17A production after 6 days by sandwich ELISA				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Mus musculus)	BDBM189877 (US10227346, Example 5 | US10426135, Example 5 | US...) Show SMILES CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(c12)C(F)(F)F Show InChI InChI=1S/C26H26F3N5O2/c1-15(2)25(36)34-9-7-17(8-10-34)19-14-33(3)23-21(19)22(26(27,28)29)20(13-31-23)32-24(35)18-6-4-5-16(11-18)12-30/h4-6,11,13-15,17H,7-10H2,1-3H3,(H,32,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at RORC2 in BALB/c mouse Th17 cells assessed as inhibition of IL17A production after 4 days by electrochemiluminescence assa...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466901 (CHEMBL4277448) Show SMILES CC(C)C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C(C)C)c12 Show InChI InChI=1S/C28H33N5O2/c1-17(2)24-23(31-27(34)21-8-6-7-19(13-21)14-29)15-30-26-25(24)22(16-32(26)5)20-9-11-33(12-10-20)28(35)18(3)4/h6-8,13,15-18,20H,9-12H2,1-5H3,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	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	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Tribhuvan University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE by Ellman's method				J Nat Prod 64: 842-4 (2001) BindingDB Entry DOI: 10.7270/Q20R9P54
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466891 (CHEMBL4281109) Show SMILES Cn1cc(C2CCN(CC2)C(=O)C2CCCCC2)c2cc(NC(=O)c3cc(ccn3)C#N)ccc12 Show InChI InChI=1S/C28H31N5O2/c1-32-18-24(20-10-13-33(14-11-20)28(35)21-5-3-2-4-6-21)23-16-22(7-8-26(23)32)31-27(34)25-15-19(17-29)9-12-30-25/h7-9,12,15-16,18,20-21H,2-6,10-11,13-14H2,1H3,(H,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at RORC2 in human Th17 cells assessed as inhibition of IL17A production after 6 days by sandwich ELISA				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50466902 (CHEMBL4287631) Show SMILES Cc1noc(C)c1C(=O)N1CCC(CC1)c1cn(C)c2ncc(NC(=O)c3cccc(c3)C#N)c(C)c12 Show InChI InChI=1S/C28H28N6O3/c1-16-23(31-27(35)21-7-5-6-19(12-21)13-29)14-30-26-24(16)22(15-33(26)4)20-8-10-34(11-9-20)28(36)25-17(2)32-37-18(25)3/h5-7,12,14-15,20H,8-11H2,1-4H3,(H,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Karo Bio AB (now Karo Pharma AB) Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal 6His-tagged-RORC2 LBD (259 to 483 residues) expressed in Escherichia coli (DE3) cells assessed as inhibi...				J Med Chem 61: 10415-10439 (2018) Article DOI: 10.1021/acs.jmedchem.8b00392 BindingDB Entry DOI: 10.7270/Q27P922T
					More data for this Ligand-Target Pair

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