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5 similar compounds to monomer 50142436

Compile data set for download or QSAR
Wt: 288.7
BDBM50124625
Wt: 522.2
BDBM50150941
Wt: 1136.4
BDBM50150939
Wt: 394.4
BDBM50146181
Wt: 469.5
BDBM50150942

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50124625,50150941,50150939,50146181,50150942   
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
Angiotensin II receptor


(Homo sapiens (Human))
BDBM50150942
PNG
(CHEMBL3394209)
Show SMILES CCCCOC(=O)NS(=O)(=O)c1cc(CC(C)C)ccc1-c1cccc(Cn2ccnc2)c1
Show InChI InChI=1S/C25H31N3O4S/c1-4-5-13-32-25(29)27-33(30,31)24-16-20(14-19(2)3)9-10-23(24)22-8-6-7-21(15-22)17-28-12-11-26-18-28/h6-12,15-16,18-19H,4-5,13-14,17H2,1-3H3,(H,27,29)
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8.20n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...


J Med Chem 59: 810-40 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00982
BindingDB Entry DOI: 10.7270/Q2XS5X8K
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM50150941
PNG
(CHEMBL2181969 | MRS-1292)
Show SMILES O[C@@H]1[C@H](O)C2(CCNC2=O)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C19H19IN6O4/c20-11-3-1-2-10(6-11)7-22-15-12-16(24-8-23-15)26(9-25-12)17-13(27)14(28)19(30-17)4-5-21-18(19)29/h1-3,6,8-9,13-14,17,27-28H,4-5,7H2,(H,21,29)(H,22,23,24)/t13-,14+,17-,19?/m1/s1
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29n/an/an/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibitory activity against Beta-glucosidase from Almond


J Med Chem 59: 810-40 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00982
BindingDB Entry DOI: 10.7270/Q2XS5X8K
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124625
PNG
(CHEMBL3621555)
Show SMILES CC(Nc1nc(nc(Cl)c1C)C1CC1)c1ccncc1
Show InChI InChI=1S/C15H17ClN4/c1-9-13(16)19-15(12-3-4-12)20-14(9)18-10(2)11-5-7-17-8-6-11/h5-8,10,12H,3-4H2,1-2H3,(H,18,19,20)
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890n/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
Nuclear receptor subfamily 1 group I member 3


(Homo sapiens (Human))
BDBM50146181
PNG
(CHEMBL3763979)
Show SMILES CC(C)OC(=O)Nc1ccc2CCc3ccccc3N(C(=O)COC3CC3)c2c1
Show InChI InChI=1S/C23H26N2O4/c1-15(2)29-23(27)24-18-10-9-17-8-7-16-5-3-4-6-20(16)25(21(17)13-18)22(26)14-28-19-11-12-19/h3-6,9-10,13,15,19H,7-8,11-12,14H2,1-2H3,(H,24,27)
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n/an/a 82n/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
CREB-binding protein


(Homo sapiens (Human))
BDBM50150939
PNG
(CHEMBL3775960)
Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O)NC(C)=O
Show InChI InChI=1S/C54H81N13O10S2/c1-32(2)26-42-50(73)67-46(54(77)65-43(27-35-16-6-5-7-17-35)51(74)61-39(47(57)70)20-10-13-23-55)31-79-78-30-45(60-34(4)69)53(76)66-44(28-36-29-59-38-19-9-8-18-37(36)38)52(75)63-40(21-11-14-24-56)48(71)62-41(49(72)64-42)22-12-15-25-58-33(3)68/h5-9,16-19,29,32,39-46,59H,10-15,20-28,30-31,55-56H2,1-4H3,(H2,57,70)(H,58,68)(H,60,69)(H,61,74)(H,62,71)(H,63,75)(H,64,72)(H,65,77)(H,66,76)(H,67,73)/t39-,40-,41-,42-,43-,44-,45-,46-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Z£rich

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal His-tagged KDM4A (1 to 359 residues) expressed in Escherichia coli using biotin-H3K9me3 as substrate preincubated for ...


J Med Chem 59: 1340-9 (2016)


Article DOI: 10.1021/acs.jmedchem.5b00171
BindingDB Entry DOI: 10.7270/Q22J6DRV
More data for this
Ligand-Target Pair