BindingDB logo
myBDB logout

BDBM50285318 3-(4-{5-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexenylamino]pentylamino}-1-cyclohexenyl)-1H-5-indolecarboxamide::CHEMBL17828

SMILES: NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1

InChI Key: InChIKey=FXKBWZCJAKRZGY-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50285318   
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))
BDBM50285318
PNG
(3-(4-{5-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C35H42N6O2/c36-34(42)24-8-14-32-28(18-24)30(20-40-32)22-4-10-26(11-5-22)38-16-2-1-3-17-39-27-12-6-23(7-13-27)31-21-41-33-15-9-25(35(37)43)19-29(31)33/h4,6,8-9,14-15,18-21,26-27,38-41H,1-3,5,7,10-13,16-17H2,(H2,36,42)(H2,37,43)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 47.5n/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))
BDBM50285318
PNG
(3-(4-{5-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C35H42N6O2/c36-34(42)24-8-14-32-28(18-24)30(20-40-32)22-4-10-26(11-5-22)38-16-2-1-3-17-39-27-12-6-23(7-13-27)31-21-41-33-15-9-25(35(37)43)19-29(31)33/h4,6,8-9,14-15,18-21,26-27,38-41H,1-3,5,7,10-13,16-17H2,(H2,36,42)(H2,37,43)
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50285318
PNG
(3-(4-{5-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C35H42N6O2/c36-34(42)24-8-14-32-28(18-24)30(20-40-32)22-4-10-26(11-5-22)38-16-2-1-3-17-39-27-12-6-23(7-13-27)31-21-41-33-15-9-25(35(37)43)19-29(31)33/h4,6,8-9,14-15,18-21,26-27,38-41H,1-3,5,7,10-13,16-17H2,(H2,36,42)(H2,37,43)
KEGG

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 2.86n/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
5-hydroxytryptamine receptor 1D


(Homo sapiens (Human))
BDBM50285318
PNG
(3-(4-{5-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexen...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C35H42N6O2/c36-34(42)24-8-14-32-28(18-24)30(20-40-32)22-4-10-26(11-5-22)38-16-2-1-3-17-39-27-12-6-23(7-13-27)31-21-41-33-15-9-25(35(37)43)19-29(31)33/h4,6,8-9,14-15,18-21,26-27,38-41H,1-3,5,7,10-13,16-17H2,(H2,36,42)(H2,37,43)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 3.35n/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