Compile Data Set for Download or QSAR

Found 273 hits Enz. Inhib. hit(s) with all data for entry = 3921   

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
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM36913 (2-[(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)methyl...) Show SMILES Cc1cc(C=c2sc3nc4ccccc4n3c2=O)c(C)n1-c1ccccn1 Show InChI InChI=1S/C21H16N4OS/c1-13-11-15(14(2)24(13)19-9-5-6-10-22-19)12-18-20(26)25-17-8-4-3-7-16(17)23-21(25)27-18/h3-12H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	<5.03	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM38935 (2-(1-ethyl-2-methyl-5-benzimidazolyl)-5H-[1,2,4]tr...) Show SMILES CCn1c(C)nc2cc(ccc12)-c1nc2-c3ccccc3Cn2n1 Show InChI InChI=1S/C19H17N5/c1-3-23-12(2)20-16-10-13(8-9-17(16)23)18-21-19-15-7-5-4-6-14(15)11-24(19)22-18/h4-10H,3,11H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	<5.03	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM36993 (3-methyl-2-thiophenecarboxylic acid [2-[2,5-dimeth...) Show SMILES Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(CC2CCCO2)c1C Show InChI InChI=1S/C19H23NO4S/c1-12-6-8-25-18(12)19(22)24-11-17(21)16-9-13(2)20(14(16)3)10-15-5-4-7-23-15/h6,8-9,15H,4-5,7,10-11H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	>45.3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM38915 (3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-...) Show SMILES CCNC(=O)CCc1nc(no1)-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C17H23N3O2/c1-5-18-14(21)10-11-15-19-16(20-22-15)12-6-8-13(9-7-12)17(2,3)4/h6-9H,5,10-11H2,1-4H3,(H,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	45.8	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM38917 (3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]pro...) Show SMILES CC(C)(C)c1ccc(cc1)-c1noc(CCC(N)=O)n1 Show InChI InChI=1S/C15H19N3O2/c1-15(2,3)11-6-4-10(5-7-11)14-17-13(20-18-14)9-8-12(16)19/h4-7H,8-9H2,1-3H3,(H2,16,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	47.9	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM38914 (3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-...) Show SMILES CNC(=O)CCc1nc(no1)-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C16H21N3O2/c1-16(2,3)12-7-5-11(6-8-12)15-18-14(21-19-15)10-9-13(20)17-4/h5-8H,9-10H2,1-4H3,(H,17,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM38998 (MLS000064750 | N-(3-cyano-5,6,7,8-tetrahydro-4H-cy...) Show SMILES O=C(CSc1nnc[nH]1)Nc1sc2CCCCCc2c1C#N Show InChI InChI=1S/C14H15N5OS2/c15-6-10-9-4-2-1-3-5-11(9)22-13(10)18-12(20)7-21-14-16-8-17-19-14/h8H,1-5,7H2,(H,18,20)(H,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM38956 (2-({[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]m...) Show SMILES CCOc1ccc(cc1)-c1nc(CSCC(=O)NCc2ccco2)c(C)o1 Show InChI InChI=1S/C20H22N2O4S/c1-3-24-16-8-6-15(7-9-16)20-22-18(14(2)26-20)12-27-13-19(23)21-11-17-5-4-10-25-17/h4-10H,3,11-13H2,1-2H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM39001 (3-[(4-ethoxyphenoxy)methyl]benzoic acid | MLS00008...) Show SMILES CCOc1ccc(OCc2cccc(c2)C(O)=O)cc1 Show InChI InChI=1S/C16H16O4/c1-2-19-14-6-8-15(9-7-14)20-11-12-4-3-5-13(10-12)16(17)18/h3-10H,2,11H2,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	225	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM39024 (3-[(2-chloro-4-methylol-phenoxy)methyl]benzoic aci...) Show SMILES OCc1ccc(OCc2cccc(c2)C(O)=O)c(Cl)c1 Show InChI InChI=1S/C15H13ClO4/c16-13-7-10(8-17)4-5-14(13)20-9-11-2-1-3-12(6-11)15(18)19/h1-7,17H,8-9H2,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	288	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM39072 (2-(1-propyl-4-pyridinylidene)indene-1,3-dione | 2-...) Show SMILES [#6]-[#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](-[#6]=[#6]-1)=[#6]-1/[#6](=O)-c2ccccc2-[#6]-1=O |c:4,7| Show InChI InChI=1S/C17H15NO2/c1-2-9-18-10-7-12(8-11-18)15-16(19)13-5-3-4-6-14(13)17(15)20/h3-8,10-11H,2,9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	296	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM38961 (2-(4-methyl-1-piperidinyl)-1,3-benzothiazole-6-car...) Show SMILES CC1CCN(CC1)c1nc2ccc(cc2s1)C(O)=O Show InChI InChI=1S/C14H16N2O2S/c1-9-4-6-16(7-5-9)14-15-11-3-2-10(13(17)18)8-12(11)19-14/h2-3,8-9H,4-7H2,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	308	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM38871 ((2S,3R,11bS)-2-[[(1R)-6,7-dimethoxy-1,2,3,4-tetrah...) Show SMILES CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12 Show InChI InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	357	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM38964 (3-[(4-methoxyphenoxy)methyl]benzoic acid | MLS0000...) Show SMILES COc1ccc(OCc2cccc(c2)C(O)=O)cc1 Show InChI InChI=1S/C15H14O4/c1-18-13-5-7-14(8-6-13)19-10-11-3-2-4-12(9-11)15(16)17/h2-9H,10H2,1H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	PCBioAssay	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM37434 (2-[(1-bicyclo[2.2.1]hept-2-yl-1H-tetrazol-5-yl)thi...) Show SMILES [H]C12CCC([H])(C1)C(C2)n1nnnc1SCC(=O)Nc1ccnc2ccccc12 |TLB:9:7:6:3.2| Show InChI InChI=1S/C19H20N6OS/c26-18(21-16-7-8-20-15-4-2-1-3-14(15)16)11-27-19-22-23-24-25(19)17-10-12-5-6-13(17)9-12/h1-4,7-8,12-13,17H,5-6,9-11H2,(H,20,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	374	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM39051 (4-(1-azepanyl)-1-(4-chlorophenyl)pyrazolo[3,4-d]py...) Show SMILES Clc1ccc(cc1)-n1ncc2c(ncnc12)N1CCCCCC1 Show InChI InChI=1S/C17H18ClN5/c18-13-5-7-14(8-6-13)23-17-15(11-21-23)16(19-12-20-17)22-9-3-1-2-4-10-22/h5-8,11-12H,1-4,9-10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>407	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM38920 (2-CHLORO-2'-DEOXYADENOSINE | CLADRIBINE | MLS0...) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@H]1C[C@H](O)[C@@H](CO)O1 Show InChI InChI=1S/C10H12ClN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	487	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM39028 (3-[(2-chloranylphenoxy)methyl]benzoic acid | 3-[(2...) Show SMILES OC(=O)c1cccc(COc2ccccc2Cl)c1 Show InChI InChI=1S/C14H11ClO3/c15-12-6-1-2-7-13(12)18-9-10-4-3-5-11(8-10)14(16)17/h1-8H,9H2,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	538	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM39039 (3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-6-pyrazolo...) Show SMILES COc1cc(OC)cc(c1)-c1cc2nc(C)c(CCC(O)=O)c(C)n2n1 Show InChI InChI=1S/C19H21N3O4/c1-11-16(5-6-19(23)24)12(2)22-18(20-11)10-17(21-22)13-7-14(25-3)9-15(8-13)26-4/h7-10H,5-6H2,1-4H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM39025 (2-[5-(2-naphthyl)-1,2,4-oxadiazol-3-yl]pyridine | ...) Show SMILES c1ccc(nc1)-c1noc(n1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C17H11N3O/c1-2-6-13-11-14(9-8-12(13)5-1)17-19-16(20-21-17)15-7-3-4-10-18-15/h1-11H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	644	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM38856 (2,6-Dimethyl-benzo[1,2-b;4,5-b']difuran-3,7-di...) Show SMILES CN(C)CCOC(=O)c1c(C)oc2cc3c(C(=O)OCCN(C)C)c(C)oc3cc12 Show InChI InChI=1S/C22H28N2O6/c1-13-19(21(25)27-9-7-23(3)4)15-11-18-16(12-17(15)29-13)20(14(2)30-18)22(26)28-10-8-24(5)6/h11-12H,7-10H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	656	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM38890 (4-[[4-(hydroximinomethyl)-2-methoxy-phenoxy]methyl...) Show SMILES COc1cc(CN=O)ccc1OCc1ccc(cc1)C(O)=O Show InChI InChI=1S/C16H15NO5/c1-21-15-8-12(9-17-20)4-7-14(15)22-10-11-2-5-13(6-3-11)16(18)19/h2-8H,9-10H2,1H3,(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM38962 (6-[4-(3-chlorophenyl)-1-piperazinyl]-3-cyclohexyl-...) Show SMILES Clc1cccc(c1)N1CCN(CC1)c1cc(=O)n(C2CCCCC2)c(=O)[nH]1 Show InChI InChI=1S/C20H25ClN4O2/c21-15-5-4-8-17(13-15)23-9-11-24(12-10-23)18-14-19(26)25(20(27)22-18)16-6-2-1-3-7-16/h4-5,8,13-14,16H,1-3,6-7,9-12H2,(H,22,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	675	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM32017 ((7S,9S)-7-[(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxida...) Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(C)=O Show InChI InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3/t10-,14-,16-,17-,22+,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	687	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM32102 (1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,...) Show SMILES Cn1ncnc2c1nc(=O)n(C)c2=O Show InChI InChI=1S/C7H7N5O2/c1-11-6(13)4-5(10-7(11)14)12(2)9-3-8-4/h3H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM37025 (4-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-1-yl]t...) Show SMILES Clc1ccc(OCCN2CCN(CC2)c2ncnc3sccc23)cc1 Show InChI InChI=1S/C18H19ClN4OS/c19-14-1-3-15(4-2-14)24-11-10-22-6-8-23(9-7-22)17-16-5-12-25-18(16)21-13-20-17/h1-5,12-13H,6-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	711	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM38994 (MLS000089367 | N-(2-methoxyethyl)-2-[({5-methyl-2-...) Show SMILES COCCNC(=O)CSCc1nc(oc1C)-c1ccc(SC)cc1 Show InChI InChI=1S/C17H22N2O3S2/c1-12-15(10-24-11-16(20)18-8-9-21-2)19-17(22-12)13-4-6-14(23-3)7-5-13/h4-7H,8-11H2,1-3H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	727	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM50090910 (3alpha,16,17,18-tetrahydroxyaphidicolone | 6,13-di...) Show SMILES C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@]21CC[C@]3(O)CO |r| Show InChI InChI=1S/C20H34O4/c1-17(11-21)15-4-3-13-9-14-10-19(13,7-8-20(14,24)12-22)18(15,2)6-5-16(17)23/h13-16,21-24H,3-12H2,1-2H3/t13-,14+,15-,16+,17-,18-,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	758	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM37016 (MLS000056239 | N-[2-[2-[2,5-dimethyl-1-(2-thenyl)p...) Show SMILES CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(Cc2cccs2)c1C Show InChI InChI=1S/C21H22N2O3S/c1-14-11-18(15(2)23(14)12-17-7-6-10-27-17)20(25)13-26-21-9-5-4-8-19(21)22-16(3)24/h4-11H,12-13H2,1-3H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	792	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM38943 (2-(1,3-benzothiazol-2-yl)-1-phthalazinone | 2-(1,3...) Show SMILES O=c1n(ncc2ccccc12)-c1nc2ccccc2s1 Show InChI InChI=1S/C15H9N3OS/c19-14-11-6-2-1-5-10(11)9-16-18(14)15-17-12-7-3-4-8-13(12)20-15/h1-9H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	847	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM39063 (5-(4-methylphenyl)-3-(2-pyridinyl)-1,2,4-oxadiazol...) Show SMILES Cc1ccc(cc1)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C14H11N3O/c1-10-5-7-11(8-6-10)14-16-13(17-18-14)12-4-2-3-9-15-12/h2-9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM31053 (8-fluoranyl-4-[4-(3-methoxyphenyl)-3-methyl-pipera...) Show SMILES COc1cccc(c1)N1CCN(CC1C)c1ncnc2c3cc(F)ccc3[nH]c12 Show InChI InChI=1S/C22H22FN5O/c1-14-12-27(8-9-28(14)16-4-3-5-17(11-16)29-2)22-21-20(24-13-25-22)18-10-15(23)6-7-19(18)26-21/h3-7,10-11,13-14,26H,8-9,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM31058 (3-(2-methoxyphenyl)-6-p-phenetyl-7H-[1,2,4]triazol...) Show SMILES CCOc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1ccccc1OC |t:10| Show InChI InChI=1S/C19H18N4O2S/c1-3-25-14-10-8-13(9-11-14)16-12-26-19-21-20-18(23(19)22-16)15-6-4-5-7-17(15)24-2/h4-11H,3,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM39079 (1-(3-p-Tolyl-isothiazolo[4,5-d]pyrimidin-7-yl)-pip...) Show SMILES Cc1ccc(cc1)-c1nsc2c(ncnc12)N1CCC(CC1)C(N)=O Show InChI InChI=1S/C18H19N5OS/c1-11-2-4-12(5-3-11)14-15-16(25-22-14)18(21-10-20-15)23-8-6-13(7-9-23)17(19)24/h2-5,10,13H,6-9H2,1H3,(H2,19,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM38913 (3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N,...) Show SMILES CN(C)C(=O)CCc1nc(no1)-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C17H23N3O2/c1-17(2,3)13-8-6-12(7-9-13)16-18-14(22-19-16)10-11-15(21)20(4)5/h6-9H,10-11H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM39080 (4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butano...) Show SMILES COc1ccc(cc1)-c1noc(CCCC(O)=O)n1 Show InChI InChI=1S/C13H14N2O4/c1-18-10-7-5-9(6-8-10)13-14-11(19-15-13)3-2-4-12(16)17/h5-8H,2-4H2,1H3,(H,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM39062 (2-(1-ethyl-4-pyridinylidene)indene-1,3-dione | 2-(...) Show SMILES [#6]-[#6]-[#7]-1-[#6]=[#6]\[#6](-[#6]=[#6]-1)=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O |c:3,6| Show InChI InChI=1S/C16H13NO2/c1-2-17-9-7-11(8-10-17)14-15(18)12-5-3-4-6-13(12)16(14)19/h3-10H,2H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM36862 (4-[4-[[2-(3-methyl-4-oxo-1-phthalazinyl)-1-oxoethy...) Show SMILES Cn1nc(CC(=O)Nc2ccc(cc2)N2CCN(CC2)C(=O)OC(C)(C)C)c2ccccc2c1=O Show InChI InChI=1S/C26H31N5O4/c1-26(2,3)35-25(34)31-15-13-30(14-16-31)19-11-9-18(10-12-19)27-23(32)17-22-20-7-5-6-8-21(20)24(33)29(4)28-22/h5-12H,13-17H2,1-4H3,(H,27,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM39004 (2-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]p...) Show SMILES C1Oc2ccc(cc2O1)-c1nc(no1)-c1ccccn1 Show InChI InChI=1S/C14H9N3O3/c1-2-6-15-10(3-1)13-16-14(20-17-13)9-4-5-11-12(7-9)19-8-18-11/h1-7H,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM39050 (1-(4-methoxyphenyl)-4-(1-piperidinyl)pyrazolo[3,4-...) Show SMILES COc1ccc(cc1)-n1ncc2c(ncnc12)N1CCCCC1 Show InChI InChI=1S/C17H19N5O/c1-23-14-7-5-13(6-8-14)22-17-15(11-20-22)16(18-12-19-17)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM36888 (4-(3,4-dihydro-1H-isoquinolin-2-yl)-5H-pyrimid[5,4...) Show SMILES C1Cc2ccccc2CN1c1ncnc2c3ccccc3[nH]c12 Show InChI InChI=1S/C19H16N4/c1-2-6-14-11-23(10-9-13(14)5-1)19-18-17(20-12-21-19)15-7-3-4-8-16(15)22-18/h1-8,12,22H,9-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM38981 (4-[5-(4-ethoxyphenyl)-1,2-oxazol-3-yl]-N-(3-methox...) Show SMILES CCOc1ccc(cc1)-c1cc(CCCC(=O)NCCCOC)no1 Show InChI InChI=1S/C19H26N2O4/c1-3-24-17-10-8-15(9-11-17)18-14-16(21-25-18)6-4-7-19(22)20-12-5-13-23-2/h8-11,14H,3-7,12-13H2,1-2H3,(H,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.42E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM38939 ((4E)-3-hydroxy-4-[[(4-methyl-2-methylimino-1,3-thi...) Show SMILES CN=c1scc(C)n1N=Cc1ccc(O)cc1O |w:8.8,1.0| Show InChI InChI=1S/C12H13N3O2S/c1-8-7-18-12(13-2)15(8)14-6-9-3-4-10(16)5-11(9)17/h3-7,16-17H,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM38938 (6,7-dimethoxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-...) Show SMILES COc1cc2nc(CN3CCC(=CC3)c3ccccc3)[nH]c(=O)c2cc1OC |c:11| Show InChI InChI=1S/C22H23N3O3/c1-27-19-12-17-18(13-20(19)28-2)23-21(24-22(17)26)14-25-10-8-16(9-11-25)15-6-4-3-5-7-15/h3-8,12-13H,9-11,14H2,1-2H3,(H,23,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM38903 (6-(4-ethylphenyl)-2,3-dimethyl-imidazo[1,2-b][1,2,...) Show SMILES CCc1ccc(cc1)-c1cn2nc(C)c(C)nc2n1 Show InChI InChI=1S/C15H16N4/c1-4-12-5-7-13(8-6-12)14-9-19-15(17-14)16-10(2)11(3)18-19/h5-9H,4H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM39069 ((Z)-3-(1,3-benzodioxol-5-ylamino)-1-(2-pyridinyl)-...) Show SMILES O=C(CC=Nc1ccc2OCOc2c1)c1ccccn1 |w:4.4| Show InChI InChI=1S/C15H12N2O3/c18-13(12-3-1-2-7-17-12)6-8-16-11-4-5-14-15(9-11)20-10-19-14/h1-5,7-9H,6,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.52E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM36933 (MLS000041708 | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-...) Show SMILES COc1ccc(CCNc2ncnc3c4ccccc4oc23)cc1OC Show InChI InChI=1S/C20H19N3O3/c1-24-16-8-7-13(11-17(16)25-2)9-10-21-20-19-18(22-12-23-20)14-5-3-4-6-15(14)26-19/h3-8,11-12H,9-10H2,1-2H3,(H,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM36845 (5-tert-Butyl-2-methyl-2H-pyrazole-3-carboxylic aci...) Show SMILES Cn1nc(cc1C(=O)NCc1ccc(cc1)N1CCCC1=O)C(C)(C)C Show InChI InChI=1S/C20H26N4O2/c1-20(2,3)17-12-16(23(4)22-17)19(26)21-13-14-7-9-15(10-8-14)24-11-5-6-18(24)25/h7-10,12H,5-6,11,13H2,1-4H3,(H,21,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM32022 ((7S,9S)-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methy...) Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2) (Homo sapiens (Human))	BDBM31044 (1-Ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e...) Show SMILES CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1cccs1 Show InChI InChI=1S/C12H11N5O2S/c1-3-17-10-8(11(18)16(2)12(19)14-10)13-9(15-17)7-5-4-6-20-7/h4-6H,3H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Assay ...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2TH8K3N
					More data for this Ligand-Target Pair

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