BindingDB logo
myBDB logout

3 similar compounds to monomer 50024574

Compile data set for download or QSAR
Wt: 344.4
BDBM50024580
Wt: 362.4
BDBM50024577
Wt: 362.4
BDBM50024578

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50024580,50024577,50024578   
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 1A (5-HT1A)


(Homo sapiens (human))
BDBM50024580
PNG
(CHEMBL3330612)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccn2)c1=O
Show InChI InChI=1S/C17H24N6O2/c1-20-16(24)14-19-23(17(20)25)9-5-4-8-21-10-12-22(13-11-21)15-6-2-3-7-18-15/h2-3,6-7,14H,4-5,8-13H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50024577
PNG
(CHEMBL3330614)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ncccc2F)c1=O
Show InChI InChI=1S/C17H23FN6O2/c1-21-15(25)13-20-24(17(21)26)8-3-2-7-22-9-11-23(12-10-22)16-14(18)5-4-6-19-16/h4-6,13H,2-3,7-12H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50024578
PNG
(CHEMBL3330613)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccc(F)cn2)c1=O
Show InChI InChI=1S/C17H23FN6O2/c1-21-16(25)13-20-24(17(21)26)7-3-2-6-22-8-10-23(11-9-22)15-5-4-14(18)12-19-15/h4-5,12-13H,2-3,6-11H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
68n/an/an/an/an/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50024577
PNG
(CHEMBL3330614)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ncccc2F)c1=O
Show InChI InChI=1S/C17H23FN6O2/c1-21-15(25)13-20-24(17(21)26)8-3-2-7-22-9-11-23(12-10-22)16-14(18)5-4-6-19-16/h4-6,13H,2-3,7-12H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.800n/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1AR expressed in CHO cells assessed as increase in [35S]GTPgammaS binding by liquid scintillation spectrometry


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (human))
BDBM50024580
PNG
(CHEMBL3330612)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccn2)c1=O
Show InChI InChI=1S/C17H24N6O2/c1-20-16(24)14-19-23(17(20)25)9-5-4-8-21-10-12-22(13-11-21)15-6-2-3-7-18-15/h2-3,6-7,14H,4-5,8-13H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 0.0800n/an/an/an/a



Stony Brook University

Curated by ChEMBL


Assay Description
Agonist activity at human 5HT1AR expressed in CHO cells assessed as increase in [35S]GTPgammaS binding by liquid scintillation spectrometry


Bioorg Med Chem Lett 24: 4759-62 (2014)


Article DOI: 10.1016/j.bmcl.2014.07.048
BindingDB Entry DOI: 10.7270/Q2NZ896M
More data for this
Ligand-Target Pair