BDBM50412987 CHEMBL475965

SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C

InChI Key InChIKey=IFWGJAXMPXZADJ-UHFFFAOYSA-N

Data  3 KI  4 EC50

Find this compound or compounds like it in BindingDB:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50412987   

Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50412987(CHEMBL475965)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C
Show InChI InChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)
Affinity DataKi:  6.30nMAssay Description:Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50412987(CHEMBL475965)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C
Show InChI InChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)
Affinity DataKi:  912nMAssay Description:Displacement of [3H]5HT from 5HT2B receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
GlaxoSmithKline

Curated by ChEMBL
LigandPNGBDBM50412987(CHEMBL475965)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C
Show InChI InChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)
Affinity DataKi: <1.00E+4nMAssay Description:Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetMas-related G-protein coupled receptor member X1(Homo sapiens (Human))
Johns Hopkins University

Curated by ChEMBL
LigandPNGBDBM50412987(CHEMBL475965)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C
Show InChI InChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)
Affinity DataEC50:  25nMAssay Description:Agonist activity at human MrgX1 transfected in HEK293 cells by FLIPR assayMore data for this Ligand-Target Pair
TargetMas-related G-protein coupled receptor member X1(Rattus norvegicus)
Johns Hopkins University

Curated by ChEMBL
LigandPNGBDBM50412987(CHEMBL475965)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C
Show InChI InChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)
Affinity DataEC50: <2.00E+3nMAssay Description:Agonist activity at rat MrgX1 transfected in HEK293 cells by FLIPR assayMore data for this Ligand-Target Pair
TargetMas-related G-protein coupled receptor member X1(Mus musculus)
Johns Hopkins University

Curated by ChEMBL
LigandPNGBDBM50412987(CHEMBL475965)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C
Show InChI InChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)
Affinity DataEC50: <2.00E+3nMAssay Description:Agonist activity at mouse MrgC11 transfected in HEK293 cells by FLIPR assayMore data for this Ligand-Target Pair
TargetMas-related G-protein coupled receptor member X1(Homo sapiens (Human))
Johns Hopkins University

Curated by ChEMBL
LigandPNGBDBM50412987(CHEMBL475965)
Show SMILES COc1ccc(cn1)-c1ccc(cc1)C(=O)Nc1cccc(Cn2ncc(cc2=O)N2CCNCC2)c1C
Show InChI InChI=1S/C29H30N6O3/c1-20-24(19-35-28(36)16-25(18-32-35)34-14-12-30-13-15-34)4-3-5-26(20)33-29(37)22-8-6-21(7-9-22)23-10-11-27(38-2)31-17-23/h3-11,16-18,30H,12-15,19H2,1-2H3,(H,33,37)
Affinity DataEC50:  6.30nMAssay Description:Agonist activity at human MrgX1 receptor expressed in HEK293 cells assessed as intracellular calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair