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BDBM50285320 3-(4-{12-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexenylamino]dodecylamino}-1-cyclohexenyl)-1H-5-indolecarboxamide::CHEMBL22960

SMILES: NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1

InChI Key: InChIKey=OXAAGBQBYPOTMI-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50285320   
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
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50285320
PNG
(3-(4-{12-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexe...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C42H56N6O2/c43-41(49)31-15-21-39-35(25-31)37(27-47-39)29-11-17-33(18-12-29)45-23-9-7-5-3-1-2-4-6-8-10-24-46-34-19-13-30(14-20-34)38-28-48-40-22-16-32(42(44)50)26-36(38)40/h11,13,15-16,21-22,25-28,33-34,45-48H,1-10,12,14,17-20,23-24H2,(H2,43,49)(H2,44,50)
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.130n/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))
BDBM50285320
PNG
(3-(4-{12-[4-(5-carbamoyl-1H-3-indolyl)-3-cyclohexe...)
Show SMILES NC(=O)c1ccc2[nH]cc(C3=CCC(CC3)NCCCCCCCCCCCCNC3CCC(=CC3)c3c[nH]c4ccc(cc34)C(N)=O)c2c1
Show InChI InChI=1S/C42H56N6O2/c43-41(49)31-15-21-39-35(25-31)37(27-47-39)29-11-17-33(18-12-29)45-23-9-7-5-3-1-2-4-6-8-10-24-46-34-19-13-30(14-20-34)38-28-48-40-22-16-32(42(44)50)26-36(38)40/h11,13,15-16,21-22,25-28,33-34,45-48H,1-10,12,14,17-20,23-24H2,(H2,43,49)(H2,44,50)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.330n/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