BindingDB logo
myBDB logout

PubChem AID 681

Compile data set for download or QSAR
Found 63 hits of Enzyme Inhibition Constant Data   
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)
BDBM39522
PNG
((4-methylcyclohex-3-en-1-yl)methyl N-phenylcarbama...)
Show SMILES CC1=CCC(COC(=O)Nc2ccccc2)CC1
Show InChI InChI=1S/C15H19NO2/c1-12-7-9-13(10-8-12)11-18-15(17)16-14-5-3-2-4-6-14/h2-7,13H,8-11H2,1H3,(H,16,17)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.53E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39569
PNG
(MLS000110197 | N-(2,3-dihydro-1,4-benzodioxin-6-yl...)
Show SMILES COc1ccc(CCC(=O)Nc2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C18H19NO4/c1-21-15-6-2-13(3-7-15)4-9-18(20)19-14-5-8-16-17(12-14)23-11-10-22-16/h2-3,5-8,12H,4,9-11H2,1H3,(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a>9.90E+4n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM38313
PNG
(2-amino-1-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-...)
Show SMILES Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1-c1ccc2OCOc2c1
Show InChI InChI=1S/C24H24N6O4/c25-22-20(24(31)26-7-8-29-9-11-32-12-10-29)21-23(28-17-4-2-1-3-16(17)27-21)30(22)15-5-6-18-19(13-15)34-14-33-18/h1-6,13H,7-12,14,25H2,(H,26,31)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>1.10E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39544
PNG
(2-[2-[[3-(4-chlorophenyl)-5-methyl-7-pyrazolo[1,5-...)
Show SMILES Cc1cc(NCCOCCO)n2ncc(-c3ccc(Cl)cc3)c2n1
Show InChI InChI=1S/C17H19ClN4O2/c1-12-10-16(19-6-8-24-9-7-23)22-17(21-12)15(11-20-22)13-2-4-14(18)5-3-13/h2-5,10-11,19,23H,6-9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 536n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39558
PNG
(2-(6-keto-1-phenyl-pyridazin-3-yl)oxypropionic aci...)
Show SMILES CCCCOC(=O)C(C)Oc1ccc(=O)n(n1)-c1ccccc1
Show InChI InChI=1S/C17H20N2O4/c1-3-4-12-22-17(21)13(2)23-15-10-11-16(20)19(18-15)14-8-6-5-7-9-14/h5-11,13H,3-4,12H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>9.90E+4n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39561
PNG
(4-chloranyl-3-methyl-N-[1-[(2-methylphenyl)methyl]...)
Show SMILES Cc1noc(C(=O)Nc2ccn(Cc3ccccc3C)n2)c1Cl
Show InChI InChI=1S/C16H15ClN4O2/c1-10-5-3-4-6-12(10)9-21-8-7-13(19-21)18-16(22)15-14(17)11(2)20-23-15/h3-8H,9H2,1-2H3,(H,18,19,22)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.10E+4n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39570
PNG
(6-[2-[(3-carbomethoxy-4,5,6,7-tetrahydrobenzothiop...)
Show SMILES COC(=O)C1CSC(CC(=O)Nc2sc3CCCCc3c2C(=O)OC)C(=O)N1
Show InChI InChI=1S/C18H22N2O6S2/c1-25-17(23)10-8-27-12(15(22)19-10)7-13(21)20-16-14(18(24)26-2)9-5-3-4-6-11(9)28-16/h10,12H,3-8H2,1-2H3,(H,19,22)(H,20,21)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a>9.90E+4n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39571
PNG
((Z)-4-(4-ethoxyphenyl)-3-buten-2-one oxime | (Z)-4...)
Show SMILES CCOc1ccc(C=CC(C)N=O)cc1
Show InChI InChI=1S/C12H15NO2/c1-3-15-12-8-6-11(7-9-12)5-4-10(2)13-14/h4-10H,3H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 491n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39573
PNG
(5-bromanyl-N-(4-piperidin-1-ylphenyl)pyridine-3-ca...)
Show SMILES Brc1cncc(c1)C(=O)Nc1ccc(cc1)N1CCCCC1
Show InChI InChI=1S/C17H18BrN3O/c18-14-10-13(11-19-12-14)17(22)20-15-4-6-16(7-5-15)21-8-2-1-3-9-21/h4-7,10-12H,1-3,8-9H2,(H,20,22)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.03E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39528
PNG
(5-(2-furanylmethylamino)-2-(4-methylphenyl)-4-oxaz...)
Show SMILES Cc1ccc(cc1)-c1nc(C#N)c(NCc2ccco2)o1
Show InChI InChI=1S/C16H13N3O2/c1-11-4-6-12(7-5-11)15-19-14(9-17)16(21-15)18-10-13-3-2-8-20-13/h2-8,18H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.32E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39529
PNG
(1'-[3-(2'-ketospiro[1,3-dioxolane-2,3'-indoline]-1...)
Show SMILES O=C1N(CCCN2C(=O)C3(OCCO3)c3ccccc23)c2ccccc2C11OCCO1
Show InChI InChI=1S/C23H22N2O6/c26-20-22(28-12-13-29-22)16-6-1-3-8-18(16)24(20)10-5-11-25-19-9-4-2-7-17(19)23(21(25)27)30-14-15-31-23/h1-4,6-9H,5,10-15H2
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>9.90E+4n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39533
PNG
(5-(cyclopropylamino)-2-(4-ethoxyphenyl)-1,3-oxazol...)
Show SMILES CCOc1ccc(cc1)-c1nc(C#N)c(NC2CC2)o1
Show InChI InChI=1S/C15H15N3O2/c1-2-19-12-7-3-10(4-8-12)14-18-13(9-16)15(20-14)17-11-5-6-11/h3-4,7-8,11,17H,2,5-6H2,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 624n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39536
PNG
(MLS000039368 | SMR000034981 | [2-(2-furanyl)-1-ben...)
Show SMILES COc1ccc(cc1)C(=O)n1c(nc2ccccc12)-c1ccco1
Show InChI InChI=1S/C19H14N2O3/c1-23-14-10-8-13(9-11-14)19(22)21-16-6-3-2-5-15(16)20-18(21)17-7-4-12-24-17/h2-12H,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 4.00E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39538
PNG
(MLS000080478 | SMR000034678 | cid_663772)
Show SMILES CCc1nnc2c3cnn(-c4ccccc4)c3ncn12
Show InChI InChI=1S/C14H12N6/c1-2-12-17-18-14-11-8-16-20(10-6-4-3-5-7-10)13(11)15-9-19(12)14/h3-9H,2H2,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.67E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39545
PNG
(3-(3-methoxyphenyl)-5-(3-pyridinyl)-1,2,4-oxadiazo...)
Show SMILES COc1cccc(c1)-c1noc(n1)-c1cccnc1
Show InChI InChI=1S/C14H11N3O2/c1-18-12-6-2-4-10(8-12)13-16-14(19-17-13)11-5-3-7-15-9-11/h2-9H,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 853n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39550
PNG
(6-(dimethylsulfamoyl)-1-ethyl-N-[3-(N-ethyl-3-meth...)
Show SMILES CCN(CCCNC(=O)c1cn(CC)c2ccc(cc2c1=O)S(=O)(=O)N(C)C)c1cccc(C)c1
Show InChI InChI=1S/C26H34N4O4S/c1-6-29(20-11-8-10-19(3)16-20)15-9-14-27-26(32)23-18-30(7-2)24-13-12-21(17-22(24)25(23)31)35(33,34)28(4)5/h8,10-13,16-18H,6-7,9,14-15H2,1-5H3,(H,27,32)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>9.90E+4n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39555
PNG
(1-[2-(2-chloranylphenoxy)ethyl]benzimidazole | 1-[...)
Show SMILES Clc1ccccc1OCCn1cnc2ccccc12
Show InChI InChI=1S/C15H13ClN2O/c16-12-5-1-4-8-15(12)19-10-9-18-11-17-13-6-2-3-7-14(13)18/h1-8,11H,9-10H2
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>1.22E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39564
PNG
(2-(2-chlorophenyl)-5-(4-methoxyanilino)-1,3-oxazol...)
Show SMILES COc1ccc(Nc2oc(nc2C#N)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C17H12ClN3O2/c1-22-12-8-6-11(7-9-12)20-17-15(10-19)21-16(23-17)13-4-2-3-5-14(13)18/h2-9,20H,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.92E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39517
PNG
(2-[2-(1-Cyclohexyl-1H-tetrazol-5-ylsulfanyl)-acety...)
Show SMILES CCOC(=O)c1ccccc1NC(=O)CSc1nnnn1C1CCCCC1
Show InChI InChI=1S/C18H23N5O3S/c1-2-26-17(25)14-10-6-7-11-15(14)19-16(24)12-27-18-20-21-22-23(18)13-8-4-3-5-9-13/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,19,24)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>9.90E+4n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM36839
PNG
(3-Methyl-benzofuran-2-carboxylic acid (3-methyl-4-...)
Show SMILES Cc1c(oc2ccccc12)C(=O)Nc1ccc(c(C)c1)-n1cnnn1
Show InChI InChI=1S/C18H15N5O2/c1-11-9-13(7-8-15(11)23-10-19-21-22-23)20-18(24)17-12(2)14-5-3-4-6-16(14)25-17/h3-10H,1-2H3,(H,20,24)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 8.22E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39524
PNG
((10H-Phenothiazin-2-yl)-carbamic acid ethyl ester ...)
Show SMILES CCOC(=O)Nc1ccc2Sc3ccccc3Nc2c1
Show InChI InChI=1S/C15H14N2O2S/c1-2-19-15(18)16-10-7-8-14-12(9-10)17-11-5-3-4-6-13(11)20-14/h3-9,17H,2H2,1H3,(H,16,18)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 3.43E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39525
PNG
(MLS000068275 | N-(4-Acetyl-phenyl)-2-[4-ethyl-5-(5...)
Show SMILES CCn1c(Cn2nnc(n2)-c2ccccc2)nnc1SCC(=O)Nc1ccc(cc1)C(C)=O
Show InChI InChI=1S/C22H22N8O2S/c1-3-29-19(13-30-27-21(25-28-30)17-7-5-4-6-8-17)24-26-22(29)33-14-20(32)23-18-11-9-16(10-12-18)15(2)31/h4-12H,3,13-14H2,1-2H3,(H,23,32)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>9.90E+4n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39531
PNG
(8-methyl-2-phenyl-imidazo[1,2-a]pyridine | 8-methy...)
Show SMILES Cc1cccn2cc(nc12)-c1ccccc1
Show InChI InChI=1S/C14H12N2/c1-11-6-5-9-16-10-13(15-14(11)16)12-7-3-2-4-8-12/h2-10H,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a 563n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39534
PNG
(1-azepanyl-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)pheny...)
Show SMILES O=C(N1CCCCCC1)c1ccc(cc1)-c1nnc(o1)-c1ccccc1
Show InChI InChI=1S/C21H21N3O2/c25-21(24-14-6-1-2-7-15-24)18-12-10-17(11-13-18)20-23-22-19(26-20)16-8-4-3-5-9-16/h3-5,8-13H,1-2,6-7,14-15H2
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 282n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39542
PNG
(MLS000041972 | N-[5-(2-methoxyphenyl)-1,3,4-thiadi...)
Show SMILES COc1ccccc1-c1nnc(NC(C)=O)s1
Show InChI InChI=1S/C11H11N3O2S/c1-7(15)12-11-14-13-10(17-11)8-5-3-4-6-9(8)16-2/h3-6H,1-2H3,(H,12,14,15)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.75E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39543
PNG
(3-(3-methoxyphenyl)-5-(2-thienyl)-1,2,4-oxadiazole...)
Show SMILES COc1cccc(c1)-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C13H10N2O2S/c1-16-10-5-2-4-9(8-10)12-14-13(17-15-12)11-6-3-7-18-11/h2-8H,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>407n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39548
PNG
((2-phenyl-1,3-thiazol-4-yl)methyl 1-methylpyrrole-...)
Show SMILES Cn1cccc1C(=O)OCc1csc(n1)-c1ccccc1
Show InChI InChI=1S/C16H14N2O2S/c1-18-9-5-8-14(18)16(19)20-10-13-11-21-15(17-13)12-6-3-2-4-7-12/h2-9,11H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 221n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39557
PNG
(5-amino-1-(4-bromo-2-fluoro-benzyl)-N-(3-methoxyph...)
Show SMILES COc1cccc(NC(=O)c2nnn(Cc3ccc(Br)cc3F)c2N)c1
Show InChI InChI=1S/C17H15BrFN5O2/c1-26-13-4-2-3-12(8-13)21-17(25)15-16(20)24(23-22-15)9-10-5-6-11(18)7-14(10)19/h2-8H,9,20H2,1H3,(H,21,25)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.57E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39516
PNG
((1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-yl)-...)
Show SMILES CCc1nnc(N=C2NS(=O)(=O)c3ccccc23)s1
Show InChI InChI=1S/C11H10N4O2S2/c1-2-9-13-14-11(18-9)12-10-7-5-3-4-6-8(7)19(16,17)15-10/h3-6H,2H2,1H3,(H,12,14,15)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>9.90E+4n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39518
PNG
(2-furanyl-[4-(3-phenyl-7-isothiazolo[4,5-d]pyrimid...)
Show SMILES O=C(N1CCN(CC1)c1ncnc2c(nsc12)-c1ccccc1)c1ccco1
Show InChI InChI=1S/C20H17N5O2S/c26-20(15-7-4-12-27-15)25-10-8-24(9-11-25)19-18-17(21-13-22-19)16(23-28-18)14-5-2-1-3-6-14/h1-7,12-13H,8-11H2
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.34E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39523
PNG
(4-[5-(2-Methoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-pyr...)
Show SMILES COc1ccccc1-c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C14H11N3O2/c1-18-12-5-3-2-4-11(12)14-16-13(17-19-14)10-6-8-15-9-7-10/h2-9H,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.45E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39539
PNG
(3-(4-benzylpiperazin-1-yl)-3H-2-benzofuran-1-one |...)
Show SMILES O=C1OC(N2CCN(Cc3ccccc3)CC2)c2ccccc12
Show InChI InChI=1S/C19H20N2O2/c22-19-17-9-5-4-8-16(17)18(23-19)21-12-10-20(11-13-21)14-15-6-2-1-3-7-15/h1-9,18H,10-14H2
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>9.90E+4n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39540
PNG
(5-(4-fluorobenzyl)oxycoumaran-3-one | 5-[(4-fluoro...)
Show SMILES Oc1coc2ccc(OCc3ccc(F)cc3)cc12
Show InChI InChI=1S/C15H11FO3/c16-11-3-1-10(2-4-11)8-18-12-5-6-15-13(7-12)14(17)9-19-15/h1-7,9,17H,8H2
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 3.63E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39547
PNG
(5-chloranyl-N-(2,5-diethoxy-4-morpholin-4-yl-pheny...)
Show SMILES CCOc1cc(N2CCOCC2)c(OCC)cc1NS(=O)(=O)c1ccc(Cl)s1
Show InChI InChI=1S/C18H23ClN2O5S2/c1-3-25-15-12-14(21-7-9-24-10-8-21)16(26-4-2)11-13(15)20-28(22,23)18-6-5-17(19)27-18/h5-6,11-12,20H,3-4,7-10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.64E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39568
PNG
(2-(dimethylaminomethyleneamino)-4-methyl-N-phenyl-...)
Show SMILES CN(C)C=Nc1nc(C)c(s1)C(=O)Nc1ccccc1
Show InChI InChI=1S/C14H16N4OS/c1-10-12(20-14(16-10)15-9-18(2)3)13(19)17-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,17,19)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 5.11E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39515
PNG
(2-[5-(4-Butoxy-phenyl)-tetrazol-2-yl]-N-furan-2-yl...)
Show SMILES CCCCOc1ccc(cc1)-c1nnn(CC(=O)NCc2ccco2)n1
Show InChI InChI=1S/C18H21N5O3/c1-2-3-10-25-15-8-6-14(7-9-15)18-20-22-23(21-18)13-17(24)19-12-16-5-4-11-26-16/h4-9,11H,2-3,10,12-13H2,1H3,(H,19,24)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 5.07E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39520
PNG
(2-(2-Fluoro-benzylsulfanyl)-3-methyl-3H-imidazo[4,...)
Show SMILES Cn1c(SCc2ccccc2F)nc2cccnc12
Show InChI InChI=1S/C14H12FN3S/c1-18-13-12(7-4-8-16-13)17-14(18)19-9-10-5-2-3-6-11(10)15/h2-8H,9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.98E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39527
PNG
(MLS000070707 | N-(6-ethoxy-1,3-benzothiazol-2-yl)-...)
Show SMILES CCOc1ccc2nc(NC(=O)c3cnccn3)sc2c1
Show InChI InChI=1S/C14H12N4O2S/c1-2-20-9-3-4-10-12(7-9)21-14(17-10)18-13(19)11-8-15-5-6-16-11/h3-8H,2H2,1H3,(H,17,18,19)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>136n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39532
PNG
(MLS000038577 | SMR000040936 | [(4-methoxyphenyl)-o...)
Show SMILES COc1ccc(cc1)C(=O)P(O)(O)CCc1ccccc1
Show InChI InChI=1S/C16H19O4P/c1-20-15-9-7-14(8-10-15)16(17)21(18,19)12-11-13-5-3-2-4-6-13/h2-10,18-19,21H,11-12H2,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>9.90E+4n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39541
PNG
(MLS000041618 | N-[2-(5-bromanylfuran-2-yl)-3H-benz...)
Show SMILES Brc1ccc(o1)-c1nc2ccc(NC(=O)c3cccs3)cc2[nH]1
Show InChI InChI=1S/C16H10BrN3O2S/c17-14-6-5-12(22-14)15-19-10-4-3-9(8-11(10)20-15)18-16(21)13-2-1-7-23-13/h1-8H,(H,18,21)(H,19,20)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.09E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39552
PNG
(MLS000087238 | N-cyclopentyl-5-(2-thienyl)isoxazol...)
Show SMILES O=C(NC1CCCC1)c1cc(on1)-c1cccs1
Show InChI InChI=1S/C13H14N2O2S/c16-13(14-9-4-1-2-5-9)10-8-11(17-15-10)12-6-3-7-18-12/h3,6-9H,1-2,4-5H2,(H,14,16)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a 1.03E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39563
PNG
(MLS000119552 | SMR000096473 | [1-(6-ethoxy-1,3-ben...)
Show SMILES CCOc1ccc2nc(sc2c1)N1CCC(CC1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C24H29N5O2S/c1-2-31-19-6-7-20-21(17-19)32-24(26-20)29-11-8-18(9-12-29)23(30)28-15-13-27(14-16-28)22-5-3-4-10-25-22/h3-7,10,17-18H,2,8-9,11-16H2,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.67E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39567
PNG
((6E)-6-[(1H-benzimidazol-2-ylamino)methylene]-4-ch...)
Show SMILES Oc1ccc(Cl)cc1C=Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H10ClN3O/c15-10-5-6-13(19)9(7-10)8-16-14-17-11-3-1-2-4-12(11)18-14/h1-8,19H,(H,17,18)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>9.90E+4n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM33624
PNG
(MLS000105423 | SMR000102304 | cid_2838744)
Show SMILES Cc1ccc2n3CCCNC4CCCc(c34)c2c1
Show InChI InChI=1S/C16H20N2/c1-11-6-7-15-13(10-11)12-4-2-5-14-16(12)18(15)9-3-8-17-14/h6-7,10,14,17H,2-5,8-9H2,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a>9.90E+4n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM36945
PNG
((4-oxidanylidene-3-phenyl-chromen-7-yl) N,N-diethy...)
Show SMILES CCN(CC)C(=O)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
Show InChI InChI=1S/C20H19NO4/c1-3-21(4-2)20(23)25-15-10-11-16-18(12-15)24-13-17(19(16)22)14-8-6-5-7-9-14/h5-13H,3-4H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.24E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39546
PNG
(4-(1-ethyl-2-benzimidazolyl)-N,N-dimethylaniline |...)
Show SMILES CCn1c(nc2ccccc12)-c1ccc(cc1)N(C)C
Show InChI InChI=1S/C17H19N3/c1-4-20-16-8-6-5-7-15(16)18-17(20)13-9-11-14(12-10-13)19(2)3/h5-12H,4H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 823n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39553
PNG
(3-(2-amino-4,5-dimethyl-anilino)-5,5-dimethyl-cycl...)
Show SMILES Cc1cc(N)c(NC2=CC(=O)CC(C)(C)C2)cc1C
Show InChI InChI=1S/C16H22N2O/c1-10-5-14(17)15(6-11(10)2)18-12-7-13(19)9-16(3,4)8-12/h5-7,18H,8-9,17H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>9.90E+4n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39554
PNG
(2-(2-furanylmethylamino)-10-pyridazino[6,1-b]quina...)
Show SMILES O=c1c2ccccc2nc2ccc(NCc3ccco3)nn12
Show InChI InChI=1S/C16H12N4O2/c21-16-12-5-1-2-6-13(12)18-15-8-7-14(19-20(15)16)17-10-11-4-3-9-22-11/h1-9H,10H2,(H,17,19)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.08E+4n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39556
PNG
(5-[[3-(3,5-dimethyl-1-pyrazolyl)-6-methyl-2-quinox...)
Show SMILES Cc1cc(C)n(n1)-c1nc2cc(C)ccc2nc1Nc1ccc2[nH]c(=O)[nH]c2c1
Show InChI InChI=1S/C21H19N7O/c1-11-4-6-15-17(8-11)24-20(28-13(3)9-12(2)27-28)19(23-15)22-14-5-7-16-18(10-14)26-21(29)25-16/h4-10H,1-3H3,(H,22,23)(H2,25,26,29)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.67E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39562
PNG
(MLS000114309 | N-(5-phenyl-1,3,4-thiadiazol-2-yl)-...)
Show SMILES O=C(CSc1nnc[nH]1)Nc1nnc(s1)-c1ccccc1
Show InChI InChI=1S/C12H10N6OS2/c19-9(6-20-11-13-7-14-17-11)15-12-18-16-10(21-12)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14,17)(H,15,18,19)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.21E+4n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39530
PNG
(3-(2-keto-1-methyl-propoxy)-4-methyl-7,8,9,10-tetr...)
Show SMILES CC(Oc1ccc2c3CCCCc3c(=O)oc2c1C)C(C)=O
Show InChI InChI=1S/C18H20O4/c1-10-16(21-12(3)11(2)19)9-8-14-13-6-4-5-7-15(13)18(20)22-17(10)14/h8-9,12H,4-7H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 628n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39535
PNG
(1-(5-bromanylthiophen-2-yl)sulfonyl-4-methyl-piper...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1ccc(Br)s1
Show InChI InChI=1S/C9H13BrN2O2S2/c1-11-4-6-12(7-5-11)16(13,14)9-3-2-8(10)15-9/h2-3H,4-7H2,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>9.90E+4n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39551
PNG
(MLS000087354 | N-(2-thenyl)-4,5,6,7-tetrahydroindo...)
Show SMILES O=C(NCc1cccs1)c1noc2CCCCc12
Show InChI InChI=1S/C13H14N2O2S/c16-13(14-8-9-4-3-7-18-9)12-10-5-1-2-6-11(10)17-15-12/h3-4,7H,1-2,5-6,8H2,(H,14,16)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a 1.01E+4n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39559
PNG
(2-methoxyethyl 6-(2,5-dimethoxyphenyl)-3-methyl-4-...)
Show SMILES COCCOC(=O)c1[nH]c2CC(CC(=O)c2c1C)c1cc(OC)ccc1OC
Show InChI InChI=1S/C21H25NO6/c1-12-19-16(22-20(12)21(24)28-8-7-25-2)9-13(10-17(19)23)15-11-14(26-3)5-6-18(15)27-4/h5-6,11,13,22H,7-10H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>3.67E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39565
PNG
(2-(2-chlorophenyl)-5-(4-chlorophenyl)-1,3,4-oxadia...)
Show SMILES Clc1ccc(cc1)-c1nnc(o1)-c1ccccc1Cl
Show InChI InChI=1S/C14H8Cl2N2O/c15-10-7-5-9(6-8-10)13-17-18-14(19-13)11-3-1-2-4-12(11)16/h1-8H
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 431n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39572
PNG
((E)-4-(4-allyloxyphenyl)but-3-en-2-one oxime | (E)...)
Show SMILES CC(C=Cc1ccc(OCC=C)cc1)N=O
Show InChI InChI=1S/C13H15NO2/c1-3-10-16-13-8-6-12(7-9-13)5-4-11(2)14-15/h3-9,11H,1,10H2,2H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.35E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39519
PNG
(MLS000073639 | N-(6-Methoxy-benzothiazol-2-yl)-2-[...)
Show SMILES COc1ccc2nc(NC(=O)CSc3nnc(-c4ccoc4C)n3C)sc2c1
Show InChI InChI=1S/C18H17N5O3S2/c1-10-12(6-7-26-10)16-21-22-18(23(16)2)27-9-15(24)20-17-19-13-5-4-11(25-3)8-14(13)28-17/h4-8H,9H2,1-3H3,(H,19,20,24)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 2.03E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39521
PNG
((3-Cyano-7-ethoxy-quinolin-2-ylsulfanyl)-acetic ac...)
Show SMILES CCOC(=O)CSc1nc2cc(OCC)ccc2cc1C#N
Show InChI InChI=1S/C16H16N2O3S/c1-3-20-13-6-5-11-7-12(9-17)16(18-14(11)8-13)22-10-15(19)21-4-2/h5-8H,3-4,10H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.83E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39537
PNG
(MLS000077996 | N-[5-(1-adamantyl)-1,3,4-thiadiazol...)
Show SMILES O=C(Nc1nnc(s1)C12CC3CC(CC(C3)C1)C2)c1ccco1
Show InChI InChI=1S/C17H19N3O2S/c21-14(13-2-1-3-22-13)18-16-20-19-15(23-16)17-7-10-4-11(8-17)6-12(5-10)9-17/h1-3,10-12H,4-9H2,(H,18,20,21)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 317n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39549
PNG
(6-(2-furanyl)-3-methyl-4-oxo-1,5,6,7-tetrahydroind...)
Show SMILES Cc1c([nH]c2CC(CC(=O)c12)c1ccco1)C(=O)OCC1CCCO1
Show InChI InChI=1S/C19H21NO5/c1-11-17-14(8-12(9-15(17)21)16-5-3-7-24-16)20-18(11)19(22)25-10-13-4-2-6-23-13/h3,5,7,12-13,20H,2,4,6,8-10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a 1.67E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39560
PNG
(1-(2-methoxy-4-methyl-5-propan-2-yl-phenyl)sulfony...)
Show SMILES COc1cc(C)c(cc1S(=O)(=O)n1cnc(C)c1)C(C)C
Show InChI InChI=1S/C15H20N2O3S/c1-10(2)13-7-15(14(20-5)6-11(13)3)21(18,19)17-8-12(4)16-9-17/h6-10H,1-5H3
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.85E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39566
PNG
(4-methoxy-N-(5-methyl-1,2-oxazol-3-yl)benzamide | ...)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(C)on1
Show InChI InChI=1S/C12H12N2O3/c1-8-7-11(14-17-8)13-12(15)9-3-5-10(16-2)6-4-9/h3-7H,1-2H3,(H,13,14,15)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 1.05E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM39526
PNG
(MLS000032888 | N-(2,3-Dihydro-benzo[1,4]dioxin-6-y...)
Show SMILES CC(C)CNS(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C19H22N2O5S/c1-13(2)12-20-27(23,24)16-6-3-14(4-7-16)19(22)21-15-5-8-17-18(11-15)26-10-9-25-17/h3-8,11,13,20H,9-10,12H2,1-2H3,(H,21,22)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 3.48E+3n/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)


BindingDB Entry DOI: 10.7270/Q2RJ4GVG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%