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SMILES: O=C(CSc1nnc(COc2cccc3cccnc23)o1)N1CCc2ccccc12

InChI Key: InChIKey=FCRWFNRBWVZVDN-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 38860   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(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
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.96E+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)


BindingDB Entry DOI: 10.7270/Q2TH8K3N
More data for this
Ligand-Target Pair
Steroidogenic factor 1


(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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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 4.40E+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)


BindingDB Entry DOI: 10.7270/Q2319T8T
More data for this
Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-alpha (Alpha-2)


(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
PDB
MMDB

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GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
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)


BindingDB Entry DOI: 10.7270/Q26Q1VNZ
More data for this
Ligand-Target Pair
Steroidogenic factor 1


(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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
PCBioAssay
n/an/a 3.97E+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)


BindingDB Entry DOI: 10.7270/Q2PR7TCX
More data for this
Ligand-Target Pair