BindingDB logo
myBDB logout

BDBM50054981 2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-(4-{2-[3-(2-amino-ethyl)-1H-indol-5-yloxy]-acetylamino}-phenyl)-acetamide::CHEMBL356277

SMILES: NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12

InChI Key: InChIKey=DGISRQRHSYAYQM-UHFFFAOYSA-N

Data: 3 KI  1 EC50

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 = 50054981   
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 1D


(Homo sapiens (human))
BDBM50054981
PNG
(2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-(4-{2-[3-...)
Show SMILES NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
Show InChI InChI=1S/C30H32N6O4/c31-11-9-19-15-33-27-7-5-23(13-25(19)27)39-17-29(37)35-21-1-2-22(4-3-21)36-30(38)18-40-24-6-8-28-26(14-24)20(10-12-32)16-34-28/h1-8,13-16,33-34H,9-12,17-18,31-32H2,(H,35,37)(H,36,38)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.110n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
Ability to inhibit the forskolin-stimulated c-AMP formation mediated by human 5-hydroxytryptamine 1D receptor in CHO-K1 cells


J Med Chem 39: 4920-7 (1997)


Article DOI: 10.1021/jm960552l
BindingDB Entry DOI: 10.7270/Q23B5Z7M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM50054981
PNG
(2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-(4-{2-[3-...)
Show SMILES NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
Show InChI InChI=1S/C30H32N6O4/c31-11-9-19-15-33-27-7-5-23(13-25(19)27)39-17-29(37)35-21-1-2-22(4-3-21)36-30(38)18-40-24-6-8-28-26(14-24)20(10-12-32)16-34-28/h1-8,13-16,33-34H,9-12,17-18,31-32H2,(H,35,37)(H,36,38)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.270n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
Ability to inhibit the forskolin-stimulated c-AMP formation mediated by human 5-hydroxytryptamine 1B receptor in CHO-K1 cells


J Med Chem 39: 4920-7 (1997)


Article DOI: 10.1021/jm960552l
BindingDB Entry DOI: 10.7270/Q23B5Z7M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM50054981
PNG
(2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-(4-{2-[3-...)
Show SMILES NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
Show InChI InChI=1S/C30H32N6O4/c31-11-9-19-15-33-27-7-5-23(13-25(19)27)39-17-29(37)35-21-1-2-22(4-3-21)36-30(38)18-40-24-6-8-28-26(14-24)20(10-12-32)16-34-28/h1-8,13-16,33-34H,9-12,17-18,31-32H2,(H,35,37)(H,36,38)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.06n/an/an/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
Ability to inhibit the forskolin-stimulated c-AMP formation mediated by human 5-hydroxytryptamine 1A receptor in CHO-K1 cells


J Med Chem 39: 4920-7 (1997)


Article DOI: 10.1021/jm960552l
BindingDB Entry DOI: 10.7270/Q23B5Z7M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1B


(Homo sapiens (human))
BDBM50054981
PNG
(2-[3-(2-Amino-ethyl)-1H-indol-5-yloxy]-N-(4-{2-[3-...)
Show SMILES NCCc1c[nH]c2ccc(OCC(=O)Nc3ccc(NC(=O)COc4ccc5[nH]cc(CCN)c5c4)cc3)cc12
Show InChI InChI=1S/C30H32N6O4/c31-11-9-19-15-33-27-7-5-23(13-25(19)27)39-17-29(37)35-21-1-2-22(4-3-21)36-30(38)18-40-24-6-8-28-26(14-24)20(10-12-32)16-34-28/h1-8,13-16,33-34H,9-12,17-18,31-32H2,(H,35,37)(H,36,38)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.300n/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated c-AMP formation by human 5-hydroxytryptamine 1B receptor expressed in CHO-K1 cells


J Med Chem 39: 4920-7 (1997)


Article DOI: 10.1021/jm960552l
BindingDB Entry DOI: 10.7270/Q23B5Z7M
More data for this
Ligand-Target Pair