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7 similar compounds to monomer 50213863

Compile data set for download or QSAR
Wt: 385.4
BDBM50213852
Wt: 323.8
BDBM50213853
Wt: 405.3
BDBM50305774
Wt: 391.3
BDBM50305763
Wt: 433.4
BDBM50305764
Wt: 447.4
BDBM50305766
Wt: 421.3
BDBM50305767

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50213852,50213853,50305774,50305763,50305764,50305766,50305767   
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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50213853
PNG
(CHEMBL282008)
Show SMILES CC(C)(C)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H26ClN3O/c1-17(2,3)16(22)19-8-9-20-10-12-21(13-11-20)15-6-4-14(18)5-7-15/h4-7H,8-13H2,1-3H3,(H,19,22)
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25n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50213852
PNG
(CHEMBL21059)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H30F3N3O/c1-19(2,3)18(27)24-10-4-5-11-25-12-14-26(15-13-25)17-8-6-16(7-9-17)20(21,22)23/h6-9H,4-5,10-15H2,1-3H3,(H,24,27)
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50n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D4 expressed in HEK 293 cells, using [3H]nemonapride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213853
PNG
(CHEMBL282008)
Show SMILES CC(C)(C)C(=O)NCCN1CCN(CC1)c1ccc(Cl)cc1
Show InChI InChI=1S/C17H26ClN3O/c1-17(2,3)16(22)19-8-9-20-10-12-21(13-11-20)15-6-4-14(18)5-7-15/h4-7H,8-13H2,1-3H3,(H,19,22)
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2.51E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50213852
PNG
(CHEMBL21059)
Show SMILES CC(C)(C)C(=O)NCCCCN1CCN(CC1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H30F3N3O/c1-19(2,3)18(27)24-10-4-5-11-25-12-14-26(15-13-25)17-8-6-16(7-9-17)20(21,22)23/h6-9H,4-5,10-15H2,1-3H3,(H,24,27)
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3.98E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity at cloned human Dopamine receptor D2 expressed in CHO cells, using [125I]iodosulpiride as radioligand


Citation and Details

BindingDB Entry DOI: 10.7270/Q2639RWP
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50305767
PNG
((5-(6-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-y...)
Show SMILES OCc1nnc(o1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H18F3N5O3/c20-19(21,22)13-3-1-2-4-15(13)29-12-7-9-27(10-8-12)16-6-5-14(23-24-16)18-26-25-17(11-28)30-18/h1-6,12,28H,7-11H2
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Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes


Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50305766
PNG
(2-tert-butyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)p...)
Show SMILES CC(C)(C)c1nnc(o1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C22H24F3N5O2/c1-21(2,3)20-29-28-19(32-20)16-8-9-18(27-26-16)30-12-10-14(11-13-30)31-17-7-5-4-6-15(17)22(23,24)25/h4-9,14H,10-13H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 980n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes


Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50305764
PNG
(2-isopropyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)pi...)
Show SMILES CC(C)c1nnc(o1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C21H22F3N5O2/c1-13(2)19-27-28-20(31-19)16-7-8-18(26-25-16)29-11-9-14(10-12-29)30-17-6-4-3-5-15(17)21(22,23)24/h3-8,13-14H,9-12H2,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.90n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes


Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50305763
PNG
(2-(6-(4-(2-(trifluoromethyl)phenoxy)piperidin-1-yl...)
Show SMILES FC(F)(F)c1ccccc1OC1CCN(CC1)c1ccc(nn1)-c1nnco1
Show InChI InChI=1S/C18H16F3N5O2/c19-18(20,21)13-3-1-2-4-15(13)28-12-7-9-26(10-8-12)16-6-5-14(23-24-16)17-25-22-11-27-17/h1-6,11-12H,7-10H2
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes


Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair
Stearoyl-CoA desaturase 1 (SCD1)


(Rattus norvegicus (Rat))
BDBM50305774
PNG
(2-methyl-5-(6-(4-(2-(trifluoromethyl)phenoxy)piper...)
Show SMILES Cc1nnc(o1)-c1ccc(nn1)N1CCC(CC1)Oc1ccccc1C(F)(F)F
Show InChI InChI=1S/C19H18F3N5O2/c1-12-23-26-18(28-12)15-6-7-17(25-24-15)27-10-8-13(9-11-27)29-16-5-3-2-4-14(16)19(20,21)22/h2-7,13H,8-11H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of SCD1 in rat liver microsomes


Bioorg Med Chem Lett 20: 499-502 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.111
BindingDB Entry DOI: 10.7270/Q26H4HH3
More data for this
Ligand-Target Pair