BDBM50090304 1-[3-(2,2-Di-p-tolyl-acetylamino)-propyl]-4-phenyl-piperidine-4-carboxylic acid methyl ester::CHEMBL41677

SMILES COC(=O)C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)c1ccccc1

InChI Key InChIKey=BGURRFIDCHOENU-UHFFFAOYSA-N

Data  6 KI

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 6 hits for monomerid = 50090304   

TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50090304(1-[3-(2,2-Di-p-tolyl-acetylamino)-propyl]-4-phenyl...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C32H38N2O3/c1-24-10-14-26(15-11-24)29(27-16-12-25(2)13-17-27)30(35)33-20-7-21-34-22-18-32(19-23-34,31(36)37-3)28-8-5-4-6-9-28/h4-6,8-17,29H,7,18-23H2,1-3H3,(H,33,35)
Affinity DataKi:  5.10nMAssay Description:Inhibition of binding of [125I]-HEAT to cloned human alpha-1A adrenergic receptor.More data for this Ligand-Target Pair
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50090304(1-[3-(2,2-Di-p-tolyl-acetylamino)-propyl]-4-phenyl...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C32H38N2O3/c1-24-10-14-26(15-11-24)29(27-16-12-25(2)13-17-27)30(35)33-20-7-21-34-22-18-32(19-23-34,31(36)37-3)28-8-5-4-6-9-28/h4-6,8-17,29H,7,18-23H2,1-3H3,(H,33,35)
Affinity DataKi:  17nMAssay Description:In vitro binding affinity towards cloned human Alpha-1A adrenergic receptorMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50090304(1-[3-(2,2-Di-p-tolyl-acetylamino)-propyl]-4-phenyl...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C32H38N2O3/c1-24-10-14-26(15-11-24)29(27-16-12-25(2)13-17-27)30(35)33-20-7-21-34-22-18-32(19-23-34,31(36)37-3)28-8-5-4-6-9-28/h4-6,8-17,29H,7,18-23H2,1-3H3,(H,33,35)
Affinity DataKi:  170nMAssay Description:In vitro binding affinity towards cloned human Alpha-1B adrenergic receptorMore data for this Ligand-Target Pair
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50090304(1-[3-(2,2-Di-p-tolyl-acetylamino)-propyl]-4-phenyl...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C32H38N2O3/c1-24-10-14-26(15-11-24)29(27-16-12-25(2)13-17-27)30(35)33-20-7-21-34-22-18-32(19-23-34,31(36)37-3)28-8-5-4-6-9-28/h4-6,8-17,29H,7,18-23H2,1-3H3,(H,33,35)
Affinity DataKi:  450nMAssay Description:Inhibition of binding of [125I]-HEAT to cloned human alpha-1B adrenergic receptor.More data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50090304(1-[3-(2,2-Di-p-tolyl-acetylamino)-propyl]-4-phenyl...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C32H38N2O3/c1-24-10-14-26(15-11-24)29(27-16-12-25(2)13-17-27)30(35)33-20-7-21-34-22-18-32(19-23-34,31(36)37-3)28-8-5-4-6-9-28/h4-6,8-17,29H,7,18-23H2,1-3H3,(H,33,35)
Affinity DataKi:  960nMAssay Description:Inhibition of binding of [125I]-HEAT to cloned human alpha-1D adrenergic receptor.More data for this Ligand-Target Pair
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Merck & Co.

Curated by ChEMBL
LigandPNGBDBM50090304(1-[3-(2,2-Di-p-tolyl-acetylamino)-propyl]-4-phenyl...)
Show SMILES COC(=O)C1(CCN(CCCNC(=O)C(c2ccc(C)cc2)c2ccc(C)cc2)CC1)c1ccccc1
Show InChI InChI=1S/C32H38N2O3/c1-24-10-14-26(15-11-24)29(27-16-12-25(2)13-17-27)30(35)33-20-7-21-34-22-18-32(19-23-34,31(36)37-3)28-8-5-4-6-9-28/h4-6,8-17,29H,7,18-23H2,1-3H3,(H,33,35)
Affinity DataKi:  975nMAssay Description:In vitro binding affinity towards cloned human Alpha-1D adrenergic receptorMore data for this Ligand-Target Pair