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BDBM50285314 3-(4-{8-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexenylamino]octylamino}-1-cyclohexenyl)-1H-5-indolecarboxamide::CHEMBL22961

SMILES: NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1

InChI Key: InChIKey=QXXXZTFUFKESQI-UHFFFAOYSA-N

Data: 4 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50285314   
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))
BDBM50285314
PNG
(3-(4-{8-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C38H48N6O2/c39-37(45)27-11-17-35-31(21-27)33(23-43-35)25-7-13-29(14-8-25)41-19-5-3-1-2-4-6-20-42-30-15-9-26(10-16-30)34-24-44-36-18-12-28(38(40)46)22-32(34)36/h7,9,11-12,17-18,21-24,29-30,41-44H,1-6,8,10,13-16,19-20H2,(H2,39,45)(H2,40,46)
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Article
n/an/a 12.4n/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
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50285314
PNG
(3-(4-{8-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C38H48N6O2/c39-37(45)27-11-17-35-31(21-27)33(23-43-35)25-7-13-29(14-8-25)41-19-5-3-1-2-4-6-20-42-30-15-9-26(10-16-30)34-24-44-36-18-12-28(38(40)46)22-32(34)36/h7,9,11-12,17-18,21-24,29-30,41-44H,1-6,8,10,13-16,19-20H2,(H2,39,45)(H2,40,46)
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Article
n/an/a 0.110n/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


(Homo sapiens (Human))
BDBM50285314
PNG
(3-(4-{8-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C38H48N6O2/c39-37(45)27-11-17-35-31(21-27)33(23-43-35)25-7-13-29(14-8-25)41-19-5-3-1-2-4-6-20-42-30-15-9-26(10-16-30)34-24-44-36-18-12-28(38(40)46)22-32(34)36/h7,9,11-12,17-18,21-24,29-30,41-44H,1-6,8,10,13-16,19-20H2,(H2,39,45)(H2,40,46)
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Article
n/an/a 392n/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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50285314
PNG
(3-(4-{8-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C38H48N6O2/c39-37(45)27-11-17-35-31(21-27)33(23-43-35)25-7-13-29(14-8-25)41-19-5-3-1-2-4-6-20-42-30-15-9-26(10-16-30)34-24-44-36-18-12-28(38(40)46)22-32(34)36/h7,9,11-12,17-18,21-24,29-30,41-44H,1-6,8,10,13-16,19-20H2,(H2,39,45)(H2,40,46)
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 2.13n/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