BDBM50428890 ASENAPINE::Saphris

SMILES CN1C[C@@H]2[C@@H](C1)c1cc(Cl)ccc1Oc1ccccc21

InChI Key InChIKey=VSWBSWWIRNCQIJ-GJZGRUSLSA-N

Data  3 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50428890   

Target5-hydroxytryptamine receptor 6(Homo sapiens (Human))
Universidad Complutense de Madrid

Curated by ChEMBL
LigandPNGBDBM50428890(ASENAPINE | Saphris)
Show SMILES CN1C[C@@H]2[C@@H](C1)c1cc(Cl)ccc1Oc1ccccc21
Show InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1
Affinity DataKi:  0.25nMAssay Description:Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50428890(ASENAPINE | Saphris)
Show SMILES CN1C[C@@H]2[C@@H](C1)c1cc(Cl)ccc1Oc1ccccc21
Show InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1
Affinity DataKi:  0.910nMAssay Description:Antagonist activity at human 5HT2A receptor expressed in HEK293 cells assessed as inhibition of 5HT-induced intracellular calcium release measured fo...More data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
University of Copenhagen

Curated by ChEMBL
LigandPNGBDBM50428890(ASENAPINE | Saphris)
Show SMILES CN1C[C@@H]2[C@@H](C1)c1cc(Cl)ccc1Oc1ccccc21
Show InChI InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3/t14-,15-/m0/s1
Affinity DataKi:  2.5nMAssay Description:Antagonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as inhibition of 5HT-induced intracellular calcium release measured fo...More data for this Ligand-Target Pair