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10 similar compounds to monomer 50042067

Compile data set for download or QSAR
Wt: 365.4
BDBM34204
Purchase
Wt: 328.4
BDBM42976
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Wt: 350.4
BDBM53474
Purchase
Wt: 364.4
BDBM53476
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Wt: 467.5
BDBM50002854
Wt: 391.4
BDBM50002852
Wt: 403.4
BDBM50042062
Wt: 327.3
BDBM50047883
Wt: 487.4
BDBM50350159
Wt: 474.5
BDBM50350160

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 34204,42976,53474,53476,50002854,50002852,50042062,50047883,50350159,50350160   
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
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50042062
PNG
(4-Hydroxy-2-oxo-1-phenyl-1,2-dihydro-quinoline-3-c...)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O
Show InChI InChI=1S/C24H25N3O3/c1-26-17-11-12-18(26)14-15(13-17)25-23(29)21-22(28)19-9-5-6-10-20(19)27(24(21)30)16-7-3-2-4-8-16/h2-10,15,17-18,28H,11-14H2,1H3,(H,25,29)
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1.40n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against radioligand [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in neuroblastoma-glioma (NG108-15) cells.


J Med Chem 36: 617-26 (1993)


Article DOI: 10.1021/jm00057a011
BindingDB Entry DOI: 10.7270/Q25B034N
More data for this
Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor


(Rattus norvegicus-RAT)
BDBM50047883
PNG
(4-Hydroxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic...)
Show SMILES CN1C2CCC1CC(C2)NC(=O)c1c(O)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C18H21N3O3/c1-21-11-6-7-12(21)9-10(8-11)19-17(23)15-16(22)13-4-2-3-5-14(13)20-18(15)24/h2-5,10-12H,6-9H2,1H3,(H,19,23)(H2,20,22,24)
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7.60n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Company, Ltd.

Curated by ChEMBL


Assay Description
Binding affinity against radioligand [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in neuroblastoma-glioma (NG108-15) cells.


J Med Chem 36: 617-26 (1993)


Article DOI: 10.1021/jm00057a011
BindingDB Entry DOI: 10.7270/Q25B034N
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50350160
PNG
(CHEMBL1814467)
Show SMILES CCCCCn1c2ccc(cc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)-c1ccco1
Show InChI InChI=1S/C29H34N2O4/c1-2-3-4-9-31-23-8-7-21(24-6-5-10-35-24)14-22(23)26(32)25(28(31)34)27(33)30-29-15-18-11-19(16-29)13-20(12-18)17-29/h5-8,10,14,18-20,32H,2-4,9,11-13,15-17H2,1H3,(H,30,33)
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15n/an/an/an/an/an/an/an/a



Universita degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


J Med Chem 54: 5444-53 (2011)


Article DOI: 10.1021/jm200476p
BindingDB Entry DOI: 10.7270/Q2M045S3
More data for this
Ligand-Target Pair
Cannabinoid receptor 2


(Homo sapiens (Human))
BDBM50350159
PNG
(CHEMBL1814466)
Show SMILES CCCCCn1c2ccc(Br)cc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O
Show InChI InChI=1S/C25H31BrN2O3/c1-2-3-4-7-28-20-6-5-18(26)11-19(20)22(29)21(24(28)31)23(30)27-25-12-15-8-16(13-25)10-17(9-15)14-25/h5-6,11,15-17,29H,2-4,7-10,12-14H2,1H3,(H,27,30)
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29.4n/an/an/an/an/an/an/an/a



Universita degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells


J Med Chem 54: 5444-53 (2011)


Article DOI: 10.1021/jm200476p
BindingDB Entry DOI: 10.7270/Q2M045S3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50350160
PNG
(CHEMBL1814467)
Show SMILES CCCCCn1c2ccc(cc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O)-c1ccco1
Show InChI InChI=1S/C29H34N2O4/c1-2-3-4-9-31-23-8-7-21(24-6-5-10-35-24)14-22(23)26(32)25(28(31)34)27(33)30-29-15-18-11-19(16-29)13-20(12-18)17-29/h5-8,10,14,18-20,32H,2-4,9,11-13,15-17H2,1H3,(H,30,33)
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270n/an/an/an/an/an/an/an/a



Universita degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


J Med Chem 54: 5444-53 (2011)


Article DOI: 10.1021/jm200476p
BindingDB Entry DOI: 10.7270/Q2M045S3
More data for this
Ligand-Target Pair
Cannabinoid receptor 1


(Homo sapiens (Human))
BDBM50350159
PNG
(CHEMBL1814466)
Show SMILES CCCCCn1c2ccc(Br)cc2c(O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O
Show InChI InChI=1S/C25H31BrN2O3/c1-2-3-4-7-28-20-6-5-18(26)11-19(20)22(29)21(24(28)31)23(30)27-25-12-15-8-16(13-25)10-17(9-15)14-25/h5-6,11,15-17,29H,2-4,7-10,12-14H2,1H3,(H,27,30)
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>1.00E+4n/an/an/an/an/an/an/an/a



Universita degli Studi di Siena

Curated by ChEMBL


Assay Description
Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells


J Med Chem 54: 5444-53 (2011)


Article DOI: 10.1021/jm200476p
BindingDB Entry DOI: 10.7270/Q2M045S3
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (UCH-L1)


(Mus musculus (Mouse))
BDBM53474
PNG
(1-butyl-2-hydroxy-4-oxo-N-(phenylmethyl)-3-quinoli...)
Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C21H22N2O3/c1-2-3-13-23-17-12-8-7-11-16(17)19(24)18(21(23)26)20(25)22-14-15-9-5-4-6-10-15/h4-12,24H,2-3,13-14H2,1H3,(H,22,25)
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n/an/a 6.10E+3n/an/an/an/a7.625



Brigham and Women's Hospital



Assay Description
Inhibition activity and selectivity for UCH-L1 and UCH-L3.


Chem Biol 10: 837-46 (2003)


Article DOI: 10.1016/j.chembiol.2003.08.010
BindingDB Entry DOI: 10.7270/Q20Z71P9
More data for this
Ligand-Target Pair
Ubiquitin carboxyl-terminal hydrolase isozyme L1 (UCH-L1)


(Mus musculus (Mouse))
BDBM53476
PNG
(1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-ca...)
Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)NCCc2ccccc2)c1=O
Show InChI InChI=1S/C22H24N2O3/c1-2-3-15-24-18-12-8-7-11-17(18)20(25)19(22(24)27)21(26)23-14-13-16-9-5-4-6-10-16/h4-12,25H,2-3,13-15H2,1H3,(H,23,26)
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n/an/a 1.20E+4n/an/an/an/a7.625



Brigham and Women's Hospital



Assay Description
Inhibition activity and selectivity for UCH-L1 and UCH-L3.


Chem Biol 10: 837-46 (2003)


Article DOI: 10.1016/j.chembiol.2003.08.010
BindingDB Entry DOI: 10.7270/Q20Z71P9
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM53474
PNG
(1-butyl-2-hydroxy-4-oxo-N-(phenylmethyl)-3-quinoli...)
Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C21H22N2O3/c1-2-3-13-23-17-12-8-7-11-16(17)19(24)18(21(23)26)20(25)22-14-15-9-5-4-6-10-15/h4-12,24H,2-3,13-14H2,1H3,(H,22,25)
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n/an/an/an/a>5.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q23F4N1V
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM53474
PNG
(1-butyl-2-hydroxy-4-oxo-N-(phenylmethyl)-3-quinoli...)
Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C21H22N2O3/c1-2-3-13-23-17-12-8-7-11-16(17)19(24)18(21(23)26)20(25)22-14-15-9-5-4-6-10-15/h4-12,24H,2-3,13-14H2,1H3,(H,22,25)
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n/an/an/an/a 6.35E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM53476
PNG
(1-Butyl-4-hydroxy-2-oxo-1,2-dihydro-quinoline-3-ca...)
Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)NCCc2ccccc2)c1=O
Show InChI InChI=1S/C22H24N2O3/c1-2-3-15-24-18-12-8-7-11-17(18)20(25)19(22(24)27)21(26)23-14-13-16-9-5-4-6-10-16/h4-12,25H,2-3,13-15H2,1H3,(H,23,26)
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n/an/an/an/a 3.09E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair
heat shock protein 90


(Candida albicans)
BDBM34204
PNG
(1-amyl-2-hydroxy-4-keto-N-(4-pyridylmethyl)quinoli...)
Show SMILES CCCCCn1c2ccccc2c(O)c(C(=O)NCc2ccncc2)c1=O
Show InChI InChI=1S/C21H23N3O3/c1-2-3-6-13-24-17-8-5-4-7-16(17)19(25)18(21(24)27)20(26)23-14-15-9-11-22-12-10-15/h4-5,7-12,25H,2-3,6,13-14H2,1H3,(H,23,26)
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n/an/an/an/a 1.72E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Broad Institute: Reversing Antifungal Drug Resistance Project ID: 2037 Keywords: Candida albicans, drug resistance, Fluconazole, Hsp90, Calcineurin, ...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q26M358G
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM53474
PNG
(1-butyl-2-hydroxy-4-oxo-N-(phenylmethyl)-3-quinoli...)
Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C21H22N2O3/c1-2-3-13-23-17-12-8-7-11-16(17)19(24)18(21(23)26)20(25)22-14-15-9-5-4-6-10-15/h4-12,24H,2-3,13-14H2,1H3,(H,22,25)
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n/an/a 3.53E+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 (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2Q52N9H
More data for this
Ligand-Target Pair
lens epithelium-derived growth factor p75


(Homo sapiens (Human))
BDBM53474
PNG
(1-butyl-2-hydroxy-4-oxo-N-(phenylmethyl)-3-quinoli...)
Show SMILES CCCCn1c2ccccc2c(O)c(C(=O)NCc2ccccc2)c1=O
Show InChI InChI=1S/C21H22N2O3/c1-2-3-13-23-17-12-8-7-11-16(17)19(24)18(21(23)26)20(25)22-14-15-9-5-4-6-10-15/h4-12,24H,2-3,13-14H2,1H3,(H,22,25)
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n/an/a 4.08E+3n/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 (SRIMSC) Affiliation: Ohio State University Assay Provider: Mam...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2KD1WKS
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50002852
PNG
(CHEMBL3233926)
Show SMILES Cn1c2ccccc2c(O)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1=O
Show InChI InChI=1S/C23H25N3O3/c1-25-19-10-6-5-9-18(19)21(27)20(23(25)29)22(28)24-17-11-13-26(14-12-17)15-16-7-3-2-4-8-16/h2-10,17,27H,11-15H2,1H3,(H,24,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...


Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50002854
PNG
(CHEMBL3233928)
Show SMILES Oc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)n(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C29H29N3O3/c33-27-24-13-7-8-14-25(24)32(20-22-11-5-2-6-12-22)29(35)26(27)28(34)30-23-15-17-31(18-16-23)19-21-9-3-1-4-10-21/h1-14,23,33H,15-20H2,(H,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of BuChE in equine serum using butyrylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge me...


Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50002852
PNG
(CHEMBL3233926)
Show SMILES Cn1c2ccccc2c(O)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1=O
Show InChI InChI=1S/C23H25N3O3/c1-25-19-10-6-5-9-18(19)21(27)20(23(25)29)22(28)24-17-11-13-26(14-12-17)15-16-7-3-2-4-8-16/h2-10,17,27H,11-15H2,1H3,(H,24,28)
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n/an/a 1.52E+3n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...


Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50002854
PNG
(CHEMBL3233928)
Show SMILES Oc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)n(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C29H29N3O3/c33-27-24-13-7-8-14-25(24)32(20-22-11-5-2-6-12-22)29(35)26(27)28(34)30-23-15-17-31(18-16-23)19-21-9-3-1-4-10-21/h1-14,23,33H,15-20H2,(H,30,34)
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n/an/a 390n/an/an/an/an/an/a



Universit£ de Franche Comt£

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated with enzyme for 10 mins prior to substrate challenge measure...


Bioorg Med Chem 22: 2496-507 (2014)


Article DOI: 10.1016/j.bmc.2014.02.046
BindingDB Entry DOI: 10.7270/Q28K7BMT
More data for this
Ligand-Target Pair
nuclear receptor coactivator 1 isoform 1


(Homo sapiens (Human))
BDBM42976
PNG
(MLS000107699 | N-cyclooctyl-1-methyl-2-oxidanyl-4-...)
Show SMILES Cn1c2ccccc2c(O)c(C(=O)NC2CCCCCCC2)c1=O
Show InChI InChI=1S/C19H24N2O3/c1-21-15-12-8-7-11-14(15)17(22)16(19(21)24)18(23)20-13-9-5-3-2-4-6-10-13/h7-8,11-13,22H,2-6,9-10H2,1H3,(H,20,23)
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n/an/an/an/a>7.94E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2FT8JGV
More data for this
Ligand-Target Pair
NCOA2 protein


(Homo sapiens (Human))
BDBM42976
PNG
(MLS000107699 | N-cyclooctyl-1-methyl-2-oxidanyl-4-...)
Show SMILES Cn1c2ccccc2c(O)c(C(=O)NC2CCCCCCC2)c1=O
Show InChI InChI=1S/C19H24N2O3/c1-21-15-12-8-7-11-14(15)17(22)16(19(21)24)18(23)20-13-9-5-3-2-4-6-10-13/h7-8,11-13,22H,2-6,9-10H2,1H3,(H,20,23)
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n/an/an/an/a 6.91E+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 (2008)


BindingDB Entry DOI: 10.7270/Q2QZ28CS
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens (Human))
BDBM42976
PNG
(MLS000107699 | N-cyclooctyl-1-methyl-2-oxidanyl-4-...)
Show SMILES Cn1c2ccccc2c(O)c(C(=O)NC2CCCCCCC2)c1=O
Show InChI InChI=1S/C19H24N2O3/c1-21-15-12-8-7-11-14(15)17(22)16(19(21)24)18(23)20-13-9-5-3-2-4-6-10-13/h7-8,11-13,22H,2-6,9-10H2,1H3,(H,20,23)
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n/an/an/an/a>7.94E+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 http://molscreen.florida.scripps.edu/ Center Affiliation: The ...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2707ZV7
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM34204
PNG
(1-amyl-2-hydroxy-4-keto-N-(4-pyridylmethyl)quinoli...)
Show SMILES CCCCCn1c2ccccc2c(O)c(C(=O)NCc2ccncc2)c1=O
Show InChI InChI=1S/C21H23N3O3/c1-2-3-6-13-24-17-8-5-4-7-16(17)19(25)18(21(24)27)20(26)23-14-15-9-11-22-12-10-15/h4-5,7-12,25H,2-3,6,13-14H2,1H3,(H,23,26)
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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/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM34204
PNG
(1-amyl-2-hydroxy-4-keto-N-(4-pyridylmethyl)quinoli...)
Show SMILES CCCCCn1c2ccccc2c(O)c(C(=O)NCc2ccncc2)c1=O
Show InChI InChI=1S/C21H23N3O3/c1-2-3-6-13-24-17-8-5-4-7-16(17)19(25)18(21(24)27)20(26)23-14-15-9-11-22-12-10-15/h4-5,7-12,25H,2-3,6,13-14H2,1H3,(H,23,26)
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n/an/an/an/a 1.98E+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/Q2251GJ9
More data for this
Ligand-Target Pair
Gag-Pol polyprotein


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM34204
PNG
(1-amyl-2-hydroxy-4-keto-N-(4-pyridylmethyl)quinoli...)
Show SMILES CCCCCn1c2ccccc2c(O)c(C(=O)NCc2ccncc2)c1=O
Show InChI InChI=1S/C21H23N3O3/c1-2-3-6-13-24-17-8-5-4-7-16(17)19(25)18(21(24)27)20(26)23-14-15-9-11-22-12-10-15/h4-5,7-12,25H,2-3,6,13-14H2,1H3,(H,23,26)
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n/an/a 7.42E+3n/an/an/an/a8.023



University of Pittsburgh Molecular Library Screening Center

Curated by PubChem BioAssay


Assay Description
A fluorescence resonance energy transfer assay is developed in 96-well and 384-well microplate formats with robotic manipulation to enable high-throu...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2H70D5W
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor 1


(Homo sapiens (Human))
BDBM34204
PNG
(1-amyl-2-hydroxy-4-keto-N-(4-pyridylmethyl)quinoli...)
Show SMILES CCCCCn1c2ccccc2c(O)c(C(=O)NCc2ccncc2)c1=O
Show InChI InChI=1S/C21H23N3O3/c1-2-3-6-13-24-17-8-5-4-7-16(17)19(25)18(21(24)27)20(26)23-14-15-9-11-22-12-10-15/h4-5,7-12,25H,2-3,6,13-14H2,1H3,(H,23,26)
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n/an/an/an/a 3.08E+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/Q25X2795
More data for this
Ligand-Target Pair