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4 similar compounds to monomer 50142439

Compile data set for download or QSAR
Wt: 612.6
BDBM50214317
Wt: 494.5
BDBM50077021
Wt: 291.7
BDBM50124626
Wt: 417.5
BDBM50146174

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50214317,50077021,50124626,50146174   
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 receptor 2a and 2c (5HT2A and 5HT2C)


(Rattus norvegicus (Rat))
BDBM50214317
PNG
(CHEMBL313805)
Show SMILES COc1cc(OC)c(cc1NS(=O)(=O)c1cccc(c1)C(F)(F)F)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
Show InChI InChI=1S/C27H31F3N4O7S/c1-40-22-16-23(41-2)20(33-42(38,39)18-7-5-6-17(14-18)27(28,29)30)15-19(22)21(35)8-3-4-11-34-12-9-26(10-13-34)24(36)31-25(37)32-26/h5-7,14-16,33H,3-4,8-13H2,1-2H3,(H2,31,32,36,37)
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100n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for displacement of [3H]mesulergine from cloned rat 5-hydroxytryptamine 2C receptor in transfected CHO-K1 cells.


Citation and Details
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124626
PNG
(CHEMBL3622876)
Show SMILES CN(Cc1cnn(C)c1)c1nc(nc(Cl)c1C)C1CC1
Show InChI InChI=1S/C14H18ClN5/c1-9-12(15)17-13(11-4-5-11)18-14(9)19(2)7-10-6-16-20(3)8-10/h6,8,11H,4-5,7H2,1-3H3
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220n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay


J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
Serotonin 1 (5-HT1) receptor


(Rattus norvegicus (rat))
BDBM50214317
PNG
(CHEMBL313805)
Show SMILES COc1cc(OC)c(cc1NS(=O)(=O)c1cccc(c1)C(F)(F)F)C(=O)CCCCN1CCC2(CC1)NC(=O)NC2=O
Show InChI InChI=1S/C27H31F3N4O7S/c1-40-22-16-23(41-2)20(33-42(38,39)18-7-5-6-17(14-18)27(28,29)30)15-19(22)21(35)8-3-4-11-34-12-9-26(10-13-34)24(36)31-25(37)32-26/h5-7,14-16,33H,3-4,8-13H2,1-2H3,(H2,31,32,36,37)
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794n/an/an/an/an/an/an/an/a


TBA

Assay Description
Compound was evaluated for displacement of [3H]ketanserin from cloned rat 5-hydroxytryptamine 2A receptor in transfected CHO-K1 cells.


Citation and Details
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 1


(Homo sapiens (Human))
BDBM50077021
PNG
(CHEMBL3416730)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc(cc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H30N8O4/c25-16(5-3-9-29-24(27)28)22(34)31-19-8-7-13(10-17(19)26)21(33)32-20(23(35)36)11-14-12-30-18-6-2-1-4-15(14)18/h1-2,4,6-8,10,12,16,20,30H,3,5,9,11,25-26H2,(H,31,34)(H,32,33)(H,35,36)(H4,27,28,29)/t16-,20-/m0/s1
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n/an/a 3.82E+4n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP1 expressed in baculovirus infected Sf9 cells using L-leucine-7-amido-4-methyl coumarin as substrate after 5 to 1...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens (Human))
BDBM50146174
PNG
(CHEMBL3764583)
Show SMILES CC(C)(C)OC(=O)Nc1ccc2CCc3ccccc3N(C(=O)Cn3cccc3)c2c1
Show InChI InChI=1S/C25H27N3O3/c1-25(2,3)31-24(30)26-20-13-12-19-11-10-18-8-4-5-9-21(18)28(22(19)16-20)23(29)17-27-14-6-7-15-27/h4-9,12-16H,10-11,17H2,1-3H3,(H,26,30)
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n/an/a 32n/an/an/an/an/an/a



St. Jude Children's Research Hospital

Curated by ChEMBL


Assay Description
Inverse agonist activity at GST tagged-human CAR-LBD assessed as reduction in fluorescein-PGC1 alpha coactivator recruitment after 1 hr by TR-FRET as...


Eur J Med Chem 108: 505-28 (2016)


Article DOI: 10.1016/j.ejmech.2015.12.018
BindingDB Entry DOI: 10.7270/Q2BG2QV6
More data for this
Ligand-Target Pair
Endoplasmic reticulum aminopeptidase 2


(Homo sapiens (Human))
BDBM50077021
PNG
(CHEMBL3416730)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc(cc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H30N8O4/c25-16(5-3-9-29-24(27)28)22(34)31-19-8-7-13(10-17(19)26)21(33)32-20(23(35)36)11-14-12-30-18-6-2-1-4-15(14)18/h1-2,4,6-8,10,12,16,20,30H,3,5,9,11,25-26H2,(H,31,34)(H,32,33)(H,35,36)(H4,27,28,29)/t16-,20-/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERAP2 expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-arginyl-7-amido-4-methyl coumarin as s...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair
Leucyl-cystinyl aminopeptidase


(Homo sapiens (Human))
BDBM50077021
PNG
(CHEMBL3416730)
Show SMILES N[C@@H](CCCNC(N)=N)C(=O)Nc1ccc(cc1N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Show InChI InChI=1S/C24H30N8O4/c25-16(5-3-9-29-24(27)28)22(34)31-19-8-7-13(10-17(19)26)21(33)32-20(23(35)36)11-14-12-30-18-6-2-1-4-15(14)18/h1-2,4,6-8,10,12,16,20,30H,3,5,9,11,25-26H2,(H,31,34)(H,32,33)(H,35,36)(H4,27,28,29)/t16-,20-/m0/s1
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n/an/a 7.60E+3n/an/an/an/an/an/a



National Center for Scientific Research"Demokritos"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRAP expressed in baculovirus infected cabbage looper ovary Hi5 cells using L-leucine-7-amido-4-methyl coumarin as su...


J Med Chem 58: 1524-43 (2015)


Article DOI: 10.1021/jm501867s
BindingDB Entry DOI: 10.7270/Q2Z321B0
More data for this
Ligand-Target Pair