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4 similar compounds to monomer 50182744

Compile data set for download or QSAR
Wt: 711.9
BDBM50182720
Wt: 685.8
BDBM50182737
Wt: 755.9
BDBM50182738
Wt: 295.3
BDBM50182741

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50182720,50182737,50182738,50182741   
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
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50182741
PNG
(CHEMBL3818056)
Show SMILES Oc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H21NO2/c21-18-9-7-16(8-10-18)19(22)6-3-12-20-13-11-15-4-1-2-5-17(15)14-20/h1-2,4-5,7-10,21H,3,6,11-14H2
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10n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT7 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50182741
PNG
(CHEMBL3818056)
Show SMILES Oc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H21NO2/c21-18-9-7-16(8-10-18)19(22)6-3-12-20-13-11-15-4-1-2-5-17(15)14-20/h1-2,4-5,7-10,21H,3,6,11-14H2
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34n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50182741
PNG
(CHEMBL3818056)
Show SMILES Oc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H21NO2/c21-18-9-7-16(8-10-18)19(22)6-3-12-20-13-11-15-4-1-2-5-17(15)14-20/h1-2,4-5,7-10,21H,3,6,11-14H2
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35n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50182741
PNG
(CHEMBL3818056)
Show SMILES Oc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H21NO2/c21-18-9-7-16(8-10-18)19(22)6-3-12-20-13-11-15-4-1-2-5-17(15)14-20/h1-2,4-5,7-10,21H,3,6,11-14H2
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143n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
D(3) dopamine receptor


(Homo sapiens (Human))
BDBM50182741
PNG
(CHEMBL3818056)
Show SMILES Oc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H21NO2/c21-18-9-7-16(8-10-18)19(22)6-3-12-20-13-11-15-4-1-2-5-17(15)14-20/h1-2,4-5,7-10,21H,3,6,11-14H2
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145n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D3 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50182741
PNG
(CHEMBL3818056)
Show SMILES Oc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H21NO2/c21-18-9-7-16(8-10-18)19(22)6-3-12-20-13-11-15-4-1-2-5-17(15)14-20/h1-2,4-5,7-10,21H,3,6,11-14H2
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355n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50182741
PNG
(CHEMBL3818056)
Show SMILES Oc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H21NO2/c21-18-9-7-16(8-10-18)19(22)6-3-12-20-13-11-15-4-1-2-5-17(15)14-20/h1-2,4-5,7-10,21H,3,6,11-14H2
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358n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT2B receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50182741
PNG
(CHEMBL3818056)
Show SMILES Oc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H21NO2/c21-18-9-7-16(8-10-18)19(22)6-3-12-20-13-11-15-4-1-2-5-17(15)14-20/h1-2,4-5,7-10,21H,3,6,11-14H2
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363n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50182741
PNG
(CHEMBL3818056)
Show SMILES Oc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H21NO2/c21-18-9-7-16(8-10-18)19(22)6-3-12-20-13-11-15-4-1-2-5-17(15)14-20/h1-2,4-5,7-10,21H,3,6,11-14H2
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366n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from human D2 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50182741
PNG
(CHEMBL3818056)
Show SMILES Oc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H21NO2/c21-18-9-7-16(8-10-18)19(22)6-3-12-20-13-11-15-4-1-2-5-17(15)14-20/h1-2,4-5,7-10,21H,3,6,11-14H2
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724n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50182741
PNG
(CHEMBL3818056)
Show SMILES Oc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H21NO2/c21-18-9-7-16(8-10-18)19(22)6-3-12-20-13-11-15-4-1-2-5-17(15)14-20/h1-2,4-5,7-10,21H,3,6,11-14H2
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773n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from rat D4 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Dopamine receptor


(RAT)
BDBM50182741
PNG
(CHEMBL3818056)
Show SMILES Oc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H21NO2/c21-18-9-7-16(8-10-18)19(22)6-3-12-20-13-11-15-4-1-2-5-17(15)14-20/h1-2,4-5,7-10,21H,3,6,11-14H2
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776n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-methylspiperone from rat D4 receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50182741
PNG
(CHEMBL3818056)
Show SMILES Oc1ccc(cc1)C(=O)CCCN1CCc2ccccc2C1
Show InChI InChI=1S/C19H21NO2/c21-18-9-7-16(8-10-18)19(22)6-3-12-20-13-11-15-4-1-2-5-17(15)14-20/h1-2,4-5,7-10,21H,3,6,11-14H2
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851n/an/an/an/an/an/an/an/a



Florida A&M University

Curated by ChEMBL


Assay Description
Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in cell membranes after 1 hr by liquid scintillation counting


Bioorg Med Chem 24: 3464-71 (2016)


Article DOI: 10.1016/j.bmc.2016.05.053
BindingDB Entry DOI: 10.7270/Q2X63PVP
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50182737
PNG
(CHEMBL3819426)
Show SMILES CC(C)CC(CC(=O)NC(Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CN2CCNC[C@@H]2C)c(O)c1
Show InChI InChI=1S/C33H51N9O5S/c1-20(2)13-25(16-29(44)40-27(30(34)45)14-22-8-12-48-19-22)39-32(47)26(5-4-9-38-33(35)36)41-31(46)23-6-7-24(28(43)15-23)18-42-11-10-37-17-21(42)3/h6-8,12,15,19-21,25-27,37,43H,4-5,9-11,13-14,16-18H2,1-3H3,(H2,34,45)(H,39,47)(H,40,44)(H,41,46)(H4,35,36,38)/t21-,25?,26-,27?/m0/s1
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n/an/a 1.31E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK2/cyclin A2 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate incubated for 45 mins by fluoresc...


Bioorg Med Chem Lett 26: 3754-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.067
BindingDB Entry DOI: 10.7270/Q21Z46B2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50182720
PNG
(CHEMBL3819344)
Show SMILES CCCN1CCN(Cc2ccc(cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)C)CC(=O)NC(Cc2ccsc2)C(N)=O)[C@@H](C)C1
Show InChI InChI=1S/C36H57N9O4S/c1-5-14-44-15-16-45(25(4)21-44)22-26-8-10-28(11-9-26)34(48)43-30(7-6-13-40-36(38)39)35(49)41-29(18-24(2)3)20-32(46)42-31(33(37)47)19-27-12-17-50-23-27/h8-12,17,23-25,29-31H,5-7,13-16,18-22H2,1-4H3,(H2,37,47)(H,41,49)(H,42,46)(H,43,48)(H4,38,39,40)/t25-,29?,30-,31?/m0/s1
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n/an/a 2.24E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK2/cyclin A2 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate incubated for 45 mins by fluoresc...


Bioorg Med Chem Lett 26: 3754-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.067
BindingDB Entry DOI: 10.7270/Q21Z46B2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50182720
PNG
(CHEMBL3819344)
Show SMILES CCCN1CCN(Cc2ccc(cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NC(CC(C)C)CC(=O)NC(Cc2ccsc2)C(N)=O)[C@@H](C)C1
Show InChI InChI=1S/C36H57N9O4S/c1-5-14-44-15-16-45(25(4)21-44)22-26-8-10-28(11-9-26)34(48)43-30(7-6-13-40-36(38)39)35(49)41-29(18-24(2)3)20-32(46)42-31(33(37)47)19-27-12-17-50-23-27/h8-12,17,23-25,29-31H,5-7,13-16,18-22H2,1-4H3,(H2,37,47)(H,41,49)(H,42,46)(H,43,48)(H4,38,39,40)/t25-,29?,30-,31?/m0/s1
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n/an/a 9.36E+3n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK4/cyclin D1 using fluoresceinyl-AhxPro-Val-Lys-Arg-Arg-Leu-(3ClPhe)-Gly as substrate incubated for 45 mins by fluo...


Bioorg Med Chem Lett 26: 3754-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.067
BindingDB Entry DOI: 10.7270/Q21Z46B2
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50182738
PNG
(CHEMBL3818052)
Show SMILES CC(C)CC(CC(=O)NC(Cc1ccsc1)C(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1cc(OC2CCNCC2)cc(OC2CCNCC2)c1
Show InChI InChI=1S/C37H57N9O6S/c1-23(2)16-26(20-33(47)45-32(34(38)48)17-24-9-15-53-22-24)44-36(50)31(4-3-10-43-37(39)40)46-35(49)25-18-29(51-27-5-11-41-12-6-27)21-30(19-25)52-28-7-13-42-14-8-28/h9,15,18-19,21-23,26-28,31-32,41-42H,3-8,10-14,16-17,20H2,1-2H3,(H2,38,48)(H,44,50)(H,45,47)(H,46,49)(H4,39,40,43)/t26?,31-,32?/m0/s1
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of South Carolina

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CDK2/cyclin A2 using fluoresceinyl-Ahx-Pro-Val-Lys-Arg-Arg-Leu-Phe-Gly as substrate incubated for 45 mins by fluoresc...


Bioorg Med Chem Lett 26: 3754-60 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.067
BindingDB Entry DOI: 10.7270/Q21Z46B2
More data for this
Ligand-Target Pair