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BDBM50291352 (2,3-Dihydro-indol-1-yl)-[3-(1,3,4,9-tetrahydro-beta-carbolin-2-ylmethyl)-phenyl]-methanone::CHEMBL165364

SMILES: O=C(N1CCc2ccccc12)c1cccc(CN2CCc3c(C2)[nH]c2ccccc32)c1

InChI Key: InChIKey=PDBBHWHTQRCWFH-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50291352   
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
Adrenergic receptor alpha-1


(Homo sapiens (Human))
BDBM50291352
PNG
((2,3-Dihydro-indol-1-yl)-[3-(1,3,4,9-tetrahydro-be...)
Show SMILES O=C(N1CCc2ccccc12)c1cccc(CN2CCc3c(C2)[nH]c2ccccc32)c1
Show InChI InChI=1S/C27H25N3O/c31-27(30-15-12-20-7-1-4-11-26(20)30)21-8-5-6-19(16-21)17-29-14-13-23-22-9-2-3-10-24(22)28-25(23)18-29/h1-11,16,28H,12-15,17-18H2
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
2.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at Alpha-1 adrenergic receptor using [3H]prazosin as radioligand.


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50291352
PNG
((2,3-Dihydro-indol-1-yl)-[3-(1,3,4,9-tetrahydro-be...)
Show SMILES O=C(N1CCc2ccccc12)c1cccc(CN2CCc3c(C2)[nH]c2ccccc32)c1
Show InChI InChI=1S/C27H25N3O/c31-27(30-15-12-20-7-1-4-11-26(20)30)21-8-5-6-19(16-21)17-29-14-13-23-22-9-2-3-10-24(22)28-25(23)18-29/h1-11,16,28H,12-15,17-18H2
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
9.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at 5-hydroxytryptamine 1A receptor using [3H]-8-OH-DPAT as radioligand


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50291352
PNG
((2,3-Dihydro-indol-1-yl)-[3-(1,3,4,9-tetrahydro-be...)
Show SMILES O=C(N1CCc2ccccc12)c1cccc(CN2CCc3c(C2)[nH]c2ccccc32)c1
Show InChI InChI=1S/C27H25N3O/c31-27(30-15-12-20-7-1-4-11-26(20)30)21-8-5-6-19(16-21)17-29-14-13-23-22-9-2-3-10-24(22)28-25(23)18-29/h1-11,16,28H,12-15,17-18H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
>1.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured in vivo for its binding affinity at Dopamine receptor D2 using [3H]-spiperone as radioligand.


Bioorg Med Chem Lett 7: 763-768 (1997)


Article DOI: 10.1016/S0960-894X(97)00074-7
BindingDB Entry DOI: 10.7270/Q2FT8M1V
More data for this
Ligand-Target Pair