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BDBM50285316 3-(4-{6-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexenylamino]hexylamino}-1-cyclohexenyl)-1H-5-indolecarboxamide::CHEMBL21862

SMILES: NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1

InChI Key: InChIKey=VSRNINGYFSXXGJ-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50285316   
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
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50285316
PNG
(3-(4-{6-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C36H44N6O2/c37-35(43)25-9-15-33-29(19-25)31(21-41-33)23-5-11-27(12-6-23)39-17-3-1-2-4-18-40-28-13-7-24(8-14-28)32-22-42-34-16-10-26(36(38)44)20-30(32)34/h5,7,9-10,15-16,19-22,27-28,39-42H,1-4,6,8,11-14,17-18H2,(H2,37,43)(H2,38,44)
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PC cid
PC sid
UniChem

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Article
n/an/a 33.9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit Serotonin transporter


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50285316
PNG
(3-(4-{6-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C36H44N6O2/c37-35(43)25-9-15-33-29(19-25)31(21-41-33)23-5-11-27(12-6-23)39-17-3-1-2-4-18-40-28-13-7-24(8-14-28)32-22-42-34-16-10-26(36(38)44)20-30(32)34/h5,7,9-10,15-16,19-22,27-28,39-42H,1-4,6,8,11-14,17-18H2,(H2,37,43)(H2,38,44)
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Article
n/an/a>1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1E receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50285316
PNG
(3-(4-{6-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C36H44N6O2/c37-35(43)25-9-15-33-29(19-25)31(21-41-33)23-5-11-27(12-6-23)39-17-3-1-2-4-18-40-28-13-7-24(8-14-28)32-22-42-34-16-10-26(36(38)44)20-30(32)34/h5,7,9-10,15-16,19-22,27-28,39-42H,1-4,6,8,11-14,17-18H2,(H2,37,43)(H2,38,44)
Reactome pathway
KEGG

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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.830n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1D receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50285316
PNG
(3-(4-{6-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C36H44N6O2/c37-35(43)25-9-15-33-29(19-25)31(21-41-33)23-5-11-27(12-6-23)39-17-3-1-2-4-18-40-28-13-7-24(8-14-28)32-22-42-34-16-10-26(36(38)44)20-30(32)34/h5,7,9-10,15-16,19-22,27-28,39-42H,1-4,6,8,11-14,17-18H2,(H2,37,43)(H2,38,44)
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 2.27n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 5-hydroxytryptamine 1A receptor receptor subtype


Bioorg Med Chem Lett 5: 123-126 (1995)


Article DOI: 10.1016/0960-894X(94)00470-Z
BindingDB Entry DOI: 10.7270/Q2KP824F
More data for this
Ligand-Target Pair