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Compile Data Set for Download or QSAR

Found 357 hits Enz. Inhib. hit(s) with all data for entry = 3918   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38935
PNG
(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
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n/an/a<5.03n/an/an/an/an/an/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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39056
PNG
(1-(4-chlorophenyl)-4-(3-methyl-1-piperidinyl)pyraz...)
Show SMILES CC1CCCN(C1)c1ncnc2n(ncc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H18ClN5/c1-12-3-2-8-22(10-12)16-15-9-21-23(17(15)20-11-19-16)14-6-4-13(18)5-7-14/h4-7,9,11-12H,2-3,8,10H2,1H3
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM36913
PNG
(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
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM36993
PNG
(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
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38915
PNG
(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)
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38914
PNG
(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)
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50035218
PNG
(CHEMBL61 | PODOFILOX | Podophyllinic acid lactone ...)
Show SMILES COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12 |r|
Show InChI InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38917
PNG
(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)
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38998
PNG
(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)
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM37108
PNG
(5-bromanyl-N-(pyridin-4-ylmethyl)thiophene-2-sulfo...)
Show SMILES Brc1ccc(s1)S(=O)(=O)NCc1ccncc1
Show InChI InChI=1S/C10H9BrN2O2S2/c11-9-1-2-10(16-9)17(14,15)13-7-8-3-5-12-6-4-8/h1-6,13H,7H2
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38956
PNG
(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)
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38871
PNG
((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
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM37434
PNG
(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)
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39053
PNG
(MLS000100813 | N-cyclohexyl-1-(4-methoxyphenyl)-N-...)
Show SMILES COc1ccc(cc1)-n1ncc2c(ncnc12)N(C)C1CCCCC1
Show InChI InChI=1S/C19H23N5O/c1-23(14-6-4-3-5-7-14)18-17-12-22-24(19(17)21-13-20-18)15-8-10-16(25-2)11-9-15/h8-14H,3-7H2,1-2H3
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38964
PNG
(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)
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50090910
PNG
(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
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39024
PNG
(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)
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39001
PNG
(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)
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39072
PNG
(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
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39028
PNG
(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)
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38920
PNG
(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
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n/an/a 669n/an/an/an/an/an/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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39025
PNG
(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
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39039
PNG
(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)
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38994
PNG
(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)
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38962
PNG
(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)
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n/an/a 863n/an/an/an/an/an/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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM37025
PNG
(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
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39062
PNG
(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
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38913
PNG
(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
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM32102
PNG
(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
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM37114
PNG
(2-[(1,1-dioxido-1-benzothien-3-yl)thio]-1,3-benzot...)
Show SMILES O=S1(=O)C=C(Sc2nc3ccccc3s2)c2ccccc12 |t:3|
Show InChI InChI=1S/C15H9NO2S3/c17-21(18)9-13(10-5-1-4-8-14(10)21)20-15-16-11-6-2-3-7-12(11)19-15/h1-9H
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38856
PNG
(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
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM37016
PNG
(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)
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38890
PNG
(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)
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n/an/a 967n/an/an/an/an/an/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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39034
PNG
(1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)phenyl...)
Show SMILES O=C(NC1CCCCC1)Nc1ccccc1NC(=O)NC1CCCCC1
Show InChI InChI=1S/C20H30N4O2/c25-19(21-15-9-3-1-4-10-15)23-17-13-7-8-14-18(17)24-20(26)22-16-11-5-2-6-12-16/h7-8,13-16H,1-6,9-12H2,(H2,21,23,25)(H2,22,24,26)
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM36974
PNG
(2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-1...)
Show SMILES Cc1noc(C)c1CSCC(=O)N1CCN(CC1)c1cccc(C)c1C
Show InChI InChI=1S/C20H27N3O2S/c1-14-6-5-7-19(15(14)2)22-8-10-23(11-9-22)20(24)13-26-12-18-16(3)21-25-17(18)4/h5-7H,8-13H2,1-4H3
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n/an/a 1.12E+3n/an/an/an/an/an/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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM31058
PNG
(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
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39063
PNG
(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
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38928
PNG
(3-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]...)
Show SMILES Clc1ccc(cc1)C(=O)N1CCCCC(Sc2nnc(o2)-c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C22H18ClN3O5S/c23-15-7-4-13(5-8-15)20(27)26-10-2-1-3-18(21(26)28)32-22-25-24-19(31-22)14-6-9-16-17(11-14)30-12-29-16/h4-9,11,18H,1-3,10,12H2
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39022
PNG
(4-{3-[(4-ethoxyphenoxy)methyl]benzoyl}morpholine |...)
Show SMILES CCOc1ccc(OCc2cccc(c2)C(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C20H23NO4/c1-2-24-18-6-8-19(9-7-18)25-15-16-4-3-5-17(14-16)20(22)21-10-12-23-13-11-21/h3-9,14H,2,10-13,15H2,1H3
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38894
PNG
(5-(3-chloranyl-4-methyl-phenyl)-3-pyridin-2-yl-1,2...)
Show SMILES Cc1ccc(cc1Cl)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C14H10ClN3O/c1-9-5-6-10(8-11(9)15)14-17-13(18-19-14)12-4-2-3-7-16-12/h2-8H,1H3
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM50130852
PNG
((vinblastine) methyl 12-ethyl-4-[17-ethyl-17-hydro...)
Show SMILES CC[C@]1(O)CC2C[N@@](C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |c:48|
Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28?,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
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UniChem
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n/an/a>1.22E+3n/an/an/an/an/an/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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM34245
PNG
(2-hydroxy-6-(piperidine-1-carbonyl)benzo[de]isoqui...)
Show SMILES ON1C(=O)c2cccc3c(ccc(C1=O)c23)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H16N2O4/c21-16(19-9-2-1-3-10-19)12-7-8-14-15-11(12)5-4-6-13(15)17(22)20(24)18(14)23/h4-8,24H,1-3,9-10H2
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n/an/a>1.22E+3n/an/an/an/an/an/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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM37509
PNG
(2-[(4-methoxy-6-methyl-2-quinazolinyl)amino]-1H-qu...)
Show SMILES COc1nc(Nc2nc3ccccc3c(=O)[nH]2)nc2ccc(C)cc12
Show InChI InChI=1S/C18H15N5O2/c1-10-7-8-14-12(9-10)16(25-2)22-18(20-14)23-17-19-13-6-4-3-5-11(13)15(24)21-17/h3-9H,1-2H3,(H2,19,20,21,22,23,24)
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n/an/a>1.22E+3n/an/an/an/an/an/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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM36878
PNG
(2-[4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-y...)
Show SMILES Cc1cc(N2CCN(CC2)c2nc3ccccc3s2)n2ncnc2n1
Show InChI InChI=1S/C17H17N7S/c1-12-10-15(24-16(20-12)18-11-19-24)22-6-8-23(9-7-22)17-21-13-4-2-3-5-14(13)25-17/h2-5,10-11H,6-9H2,1H3
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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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM36897
PNG
(8-fluoranyl-4-(4-phenylpiperazin-1-yl)-5H-pyrimido...)
Show SMILES Fc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C20H18FN5/c21-14-6-7-17-16(12-14)18-19(24-17)20(23-13-22-18)26-10-8-25(9-11-26)15-4-2-1-3-5-15/h1-7,12-13,24H,8-11H2
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n/an/a 1.23E+3n/an/an/an/an/an/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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39004
PNG
(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
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n/an/a 1.40E+3n/an/an/an/an/an/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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM31053
PNG
(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
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n/an/a 1.53E+3n/an/an/an/an/an/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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM32017
PNG
((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
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n/an/a 1.57E+3n/an/an/an/an/an/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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM39050
PNG
(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
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n/an/a 1.60E+3n/an/an/an/an/an/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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens (Human))
BDBM38860
PNG
(1-(2,3-Dihydro-indol-1-yl)-2-[5-(quinolin-8-yloxym...)
Show SMILES O=C(CSc1nnc(COc2cccc3cccnc23)o1)N1CCc2ccccc12
Show InChI InChI=1S/C22H18N4O3S/c27-20(26-12-10-15-5-1-2-8-17(15)26)14-30-22-25-24-19(29-22)13-28-18-9-3-6-16-7-4-11-23-21(16)18/h1-9,11H,10,12-14H2
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n/an/a 1.69E+3n/an/an/an/an/an/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)


Article DOI: 10.1021/cc0600021
BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
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