BDBM50442745 CHEMBL2442996

SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1

InChI Key InChIKey=SKEMXKKWOARREN-UHFFFAOYSA-N

Data  4 KI  1 Kd

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50442745   

Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL
LigandPNGBDBM50442745(CHEMBL2442996)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
Show InChI InChI=1S/C29H36N4O2/c1-35-26-12-10-25(11-13-26)27-7-4-5-8-28(27)33-21-19-32(20-22-33)18-6-2-3-9-29(34)31-23-24-14-16-30-17-15-24/h4-5,7-8,10-17H,2-3,6,9,18-23H2,1H3,(H,31,34)
Affinity DataKi:  11nMAssay Description:Displacement of [3H]5-CT from human 5HT7 receptor transfected in HEK293 cells after 60 minsMore data for this Ligand-Target Pair
TargetAlpha-1A/Alpha-1B/Alpha-1D adrenergic receptor(Rattus norvegicus (rat))
Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL
LigandPNGBDBM50442745(CHEMBL2442996)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
Show InChI InChI=1S/C29H36N4O2/c1-35-26-12-10-25(11-13-26)27-7-4-5-8-28(27)33-21-19-32(20-22-33)18-6-2-3-9-29(34)31-23-24-14-16-30-17-15-24/h4-5,7-8,10-17H,2-3,6,9,18-23H2,1H3,(H,31,34)
Affinity DataKi:  31nMAssay Description:Displacement of [3H]-prazosin from rat brain alpha1 adrenergic receptor after 50 minsMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL
LigandPNGBDBM50442745(CHEMBL2442996)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
Show InChI InChI=1S/C29H36N4O2/c1-35-26-12-10-25(11-13-26)27-7-4-5-8-28(27)33-21-19-32(20-22-33)18-6-2-3-9-29(34)31-23-24-14-16-30-17-15-24/h4-5,7-8,10-17H,2-3,6,9,18-23H2,1H3,(H,31,34)
Affinity DataKi:  239nMAssay Description:Displacement of [3H]8-OH-DPAT from human 5HT1A receptor transfected in HEK293-EBNA cells after 120 minsMore data for this Ligand-Target Pair
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Universit£ degli Studi di Bari 'Aldo Moro'

Curated by ChEMBL
LigandPNGBDBM50442745(CHEMBL2442996)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
Show InChI InChI=1S/C29H36N4O2/c1-35-26-12-10-25(11-13-26)27-7-4-5-8-28(27)33-21-19-32(20-22-33)18-6-2-3-9-29(34)31-23-24-14-16-30-17-15-24/h4-5,7-8,10-17H,2-3,6,9,18-23H2,1H3,(H,31,34)
Affinity DataKi: >5.00E+3nMAssay Description:Binding affinity to sigma 1 receptor (unknown origin) by radioligand binding assayMore data for this Ligand-Target Pair
Target5-hydroxytryptamine receptor 7(Homo sapiens (Human))
Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL
LigandPNGBDBM50442745(CHEMBL2442996)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
Show InChI InChI=1S/C29H36N4O2/c1-35-26-12-10-25(11-13-26)27-7-4-5-8-28(27)33-21-19-32(20-22-33)18-6-2-3-9-29(34)31-23-24-14-16-30-17-15-24/h4-5,7-8,10-17H,2-3,6,9,18-23H2,1H3,(H,31,34)
Affinity DataKd:  1.20nMAssay Description:Displacement of [3H]5-CT from human 5HT7 receptor transfected in HEK293 cells after 60 mins by Scatchard plot analysisMore data for this Ligand-Target Pair