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BDBM36943 (8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)-(3-isopropoxypropyl)amine::8-fluoranyl-N-(3-propan-2-yloxypropyl)-5H-pyrimido[5,4-b]indol-4-amine::8-fluoro-N-(3-propan-2-yloxypropyl)-5H-pyrimido[5,4-b]indol-4-amine::MLS000040860::SMR000045926::cid_664895

SMILES: CC(C)OCCCNc1ncnc2c3cc(F)ccc3[nH]c12

InChI Key: InChIKey=OJKTXZVCXQLUIT-UHFFFAOYSA-N

Data: 6 IC50  3 EC50

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 9 hits for monomerid = 36943   
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
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36943
PNG
((8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)-(3-isopropo...)
Show SMILES CC(C)OCCCNc1ncnc2c3cc(F)ccc3[nH]c12
Show InChI InChI=1S/C16H19FN4O/c1-10(2)22-7-3-6-18-16-15-14(19-9-20-16)12-8-11(17)4-5-13(12)21-15/h4-5,8-10,21H,3,6-7H2,1-2H3,(H,18,19,20)
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n/an/an/an/a 5.48E+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/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36943
PNG
((8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)-(3-isopropo...)
Show SMILES CC(C)OCCCNc1ncnc2c3cc(F)ccc3[nH]c12
Show InChI InChI=1S/C16H19FN4O/c1-10(2)22-7-3-6-18-16-15-14(19-9-20-16)12-8-11(17)4-5-13(12)21-15/h4-5,8-10,21H,3,6-7H2,1-2H3,(H,18,19,20)
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n/an/an/an/a 2.44E+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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM36943
PNG
((8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)-(3-isopropo...)
Show SMILES CC(C)OCCCNc1ncnc2c3cc(F)ccc3[nH]c12
Show InChI InChI=1S/C16H19FN4O/c1-10(2)22-7-3-6-18-16-15-14(19-9-20-16)12-8-11(17)4-5-13(12)21-15/h4-5,8-10,21H,3,6-7H2,1-2H3,(H,18,19,20)
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n/an/an/an/a 4.41E+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/Q2251GJ9
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM36943
PNG
((8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)-(3-isopropo...)
Show SMILES CC(C)OCCCNc1ncnc2c3cc(F)ccc3[nH]c12
Show InChI InChI=1S/C16H19FN4O/c1-10(2)22-7-3-6-18-16-15-14(19-9-20-16)12-8-11(17)4-5-13(12)21-15/h4-5,8-10,21H,3,6-7H2,1-2H3,(H,18,19,20)
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n/an/a 5.17E+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
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM36943
PNG
((8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)-(3-isopropo...)
Show SMILES CC(C)OCCCNc1ncnc2c3cc(F)ccc3[nH]c12
Show InChI InChI=1S/C16H19FN4O/c1-10(2)22-7-3-6-18-16-15-14(19-9-20-16)12-8-11(17)4-5-13(12)21-15/h4-5,8-10,21H,3,6-7H2,1-2H3,(H,18,19,20)
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n/an/a 8.54E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM36943
PNG
((8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)-(3-isopropo...)
Show SMILES CC(C)OCCCNc1ncnc2c3cc(F)ccc3[nH]c12
Show InChI InChI=1S/C16H19FN4O/c1-10(2)22-7-3-6-18-16-15-14(19-9-20-16)12-8-11(17)4-5-13(12)21-15/h4-5,8-10,21H,3,6-7H2,1-2H3,(H,18,19,20)
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n/an/a 4.50E+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))
BDBM36943
PNG
((8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)-(3-isopropo...)
Show SMILES CC(C)OCCCNc1ncnc2c3cc(F)ccc3[nH]c12
Show InChI InChI=1S/C16H19FN4O/c1-10(2)22-7-3-6-18-16-15-14(19-9-20-16)12-8-11(17)4-5-13(12)21-15/h4-5,8-10,21H,3,6-7H2,1-2H3,(H,18,19,20)
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n/an/a 2.08E+4n/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
COUP transcription factor 2 isoform a


(Homo sapiens)
BDBM36943
PNG
((8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)-(3-isopropo...)
Show SMILES CC(C)OCCCNc1ncnc2c3cc(F)ccc3[nH]c12
Show InChI InChI=1S/C16H19FN4O/c1-10(2)22-7-3-6-18-16-15-14(19-9-20-16)12-8-11(17)4-5-13(12)21-15/h4-5,8-10,21H,3,6-7H2,1-2H3,(H,18,19,20)
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n/an/a 6.62E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21Z431S
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM36943
PNG
((8-fluoro-5H-pyrimid[5,4-b]indol-4-yl)-(3-isopropo...)
Show SMILES CC(C)OCCCNc1ncnc2c3cc(F)ccc3[nH]c12
Show InChI InChI=1S/C16H19FN4O/c1-10(2)22-7-3-6-18-16-15-14(19-9-20-16)12-8-11(17)4-5-13(12)21-15/h4-5,8-10,21H,3,6-7H2,1-2H3,(H,18,19,20)
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n/an/a 6.34E+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