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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = '5-HT1A/ 5-HT2c'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-HT1A/ 5-HT2c


(Homo sapiens (human))
BDBM50024605
PNG
(CHEMBL3330603 | US9290463, E)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2)c1=O
Show InChI InChI=1S/C18H25N5O2/c1-20-17(24)15-19-23(18(20)25)10-6-5-9-21-11-13-22(14-12-21)16-7-3-2-4-8-16/h2-4,7-8,15H,5-6,9-14H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

0.150n/an/an/an/an/an/an/an/a



The Trustees of Columbia University in the City of New York

US Patent


Assay Description
Preparation of Membrane Fractions from CHO-h5-HT1A Cells. Membranes from CHO cells stably expressing the human 5-HT1A receptor at a density of 8 pmol...


US Patent US9290463 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3RK0
More data for this
Ligand-Target Pair
5-HT1A/ 5-HT2c


(Homo sapiens (human))
BDBM50024573
PNG
(CHEMBL3330617 | US9290463, A)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2cccc(Br)n2)c1=O
Show InChI InChI=1S/C17H23BrN6O2/c1-21-16(25)13-19-24(17(21)26)8-3-2-7-22-9-11-23(12-10-22)15-6-4-5-14(18)20-15/h4-6,13H,2-3,7-12H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

4n/an/an/an/an/an/an/an/a



The Trustees of Columbia University in the City of New York

US Patent


Assay Description
Preparation of Membrane Fractions from CHO-h5-HT1A Cells. Membranes from CHO cells stably expressing the human 5-HT1A receptor at a density of 8 pmol...


US Patent US9290463 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3RK0
More data for this
Ligand-Target Pair
5-HT1A/ 5-HT2c


(Homo sapiens (human))
BDBM210829
PNG
(US9290463, B)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2cccc(I)n2)c1=O
Show InChI InChI=1S/C17H23IN6O2/c1-21-16(25)13-19-24(17(21)26)8-3-2-7-22-9-11-23(12-10-22)15-6-4-5-14(18)20-15/h4-6,13H,2-3,7-12H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
5.5n/an/an/an/an/an/an/an/a



The Trustees of Columbia University in the City of New York

US Patent


Assay Description
Preparation of Membrane Fractions from CHO-h5-HT1A Cells. Membranes from CHO cells stably expressing the human 5-HT1A receptor at a density of 8 pmol...


US Patent US9290463 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3RK0
More data for this
Ligand-Target Pair
5-HT1A/ 5-HT2c


(Homo sapiens (human))
BDBM210830
PNG
(US9290463, D)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccccc2Br)c1=O
Show InChI InChI=1S/C18H24BrN5O2/c1-21-17(25)14-20-24(18(21)26)9-5-4-8-22-10-12-23(13-11-22)16-7-3-2-6-15(16)19/h2-3,6-7,14H,4-5,8-13H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
6n/an/an/an/an/an/an/an/a



The Trustees of Columbia University in the City of New York

US Patent


Assay Description
Preparation of Membrane Fractions from CHO-h5-HT1A Cells. Membranes from CHO cells stably expressing the human 5-HT1A receptor at a density of 8 pmol...


US Patent US9290463 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3RK0
More data for this
Ligand-Target Pair
5-HT1A/ 5-HT2c


(Homo sapiens (human))
BDBM50024603
PNG
(CHEMBL3330604 | US9290463, C)
Show SMILES Cn1c(=O)cnn(CCCCN2CCN(CC2)c2ccc(I)cc2)c1=O
Show InChI InChI=1S/C18H24IN5O2/c1-21-17(25)14-20-24(18(21)26)9-3-2-8-22-10-12-23(13-11-22)16-6-4-15(19)5-7-16/h4-7,14H,2-3,8-13H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

58.3n/an/an/an/an/an/an/an/a



The Trustees of Columbia University in the City of New York

US Patent


Assay Description
Preparation of Membrane Fractions from CHO-h5-HT1A Cells. Membranes from CHO cells stably expressing the human 5-HT1A receptor at a density of 8 pmol...


US Patent US9290463 (2016)


BindingDB Entry DOI: 10.7270/Q2MS3RK0
More data for this
Ligand-Target Pair