BDBM50454655 CHEMBL2111779

SMILES COc1ccc(cc1\C=C/CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1

InChI Key InChIKey=AAFLHUGZAQQWED-PLNGDYQASA-N

Data  4 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50454655   

Target5-hydroxytryptamine receptor 1B(Homo sapiens (Human))
Centre de Recherche Pierre Fabre

Curated by ChEMBL
LigandPNGBDBM50454655(CHEMBL2111779)
Show SMILES COc1ccc(cc1\C=C/CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H25N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h4-15,17H,16H2,1-3H3,(H,26,28)/b5-4-
Affinity DataKi:  6.10nMAssay Description:Binding affinity of the compound for 5-hydroxytryptamine 1B receptor in C6-glial transfected cell type using [3H]-GR-125,743 as radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1B(Homo sapiens (Human))
Centre de Recherche Pierre Fabre

Curated by ChEMBL
LigandPNGBDBM50454655(CHEMBL2111779)
Show SMILES COc1ccc(cc1\C=C/CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H25N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h4-15,17H,16H2,1-3H3,(H,26,28)/b5-4-
Affinity DataKi:  19nMAssay Description:Binding affinity of the compound for 5-hydroxytryptamine 1B receptor in C6-glial transfected cell type using [3H]-5-CT as radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Centre de Recherche Pierre Fabre

Curated by ChEMBL
LigandPNGBDBM50454655(CHEMBL2111779)
Show SMILES COc1ccc(cc1\C=C/CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H25N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h4-15,17H,16H2,1-3H3,(H,26,28)/b5-4-
Affinity DataKi:  169nMAssay Description:Binding affinity of the compound for 5-hydroxytryptamine 1D receptor in Cos-7 transfected cell type using [3H]-5-CT as radioligandMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Centre de Recherche Pierre Fabre

Curated by ChEMBL
LigandPNGBDBM50454655(CHEMBL2111779)
Show SMILES COc1ccc(cc1\C=C/CN(C)C)C(=O)Nc1ccc(cc1)-c1ccncc1
Show InChI InChI=1S/C24H25N3O2/c1-27(2)16-4-5-20-17-21(8-11-23(20)29-3)24(28)26-22-9-6-18(7-10-22)19-12-14-25-15-13-19/h4-15,17H,16H2,1-3H3,(H,26,28)/b5-4-
Affinity DataKi:  633nMAssay Description:Binding affinity of the compound for 5-hydroxytryptamine 1A receptor in HeLa transfected cell type using [3H]-8-OH-DPAT as radioligandMore data for this Ligand-Target Pair