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BDBM50030621 5-[3-(4,4-Diphenyl-piperidin-1-yl)-propylcarbamoyl]-2,6-dimethyl-4-(3-nitro-phenyl)-nicotinic acid methyl ester::CHEMBL123102

SMILES: COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O

InChI Key: InChIKey=LQIROCVOCINDLE-UHFFFAOYSA-N

Data: 7 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50030621   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Alpha-1A adrenergic receptor


(Homo sapiens (Human))
BDBM50030621
PNG
(5-[3-(4,4-Diphenyl-piperidin-1-yl)-propylcarbamoyl...)
Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C36H38N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-12-10-17-30(24-27)40(43)44)34(41)37-20-11-21-39-22-18-36(19-23-39,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24H,11,18-23H2,1-3H3,(H,37,41)
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PubMed
0.400n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to human Alpha-1A adrenergic receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Calcium channel


(RAT)
BDBM50030621
PNG
(5-[3-(4,4-Diphenyl-piperidin-1-yl)-propylcarbamoyl...)
Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C36H38N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-12-10-17-30(24-27)40(43)44)34(41)37-20-11-21-39-22-18-36(19-23-39,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24H,11,18-23H2,1-3H3,(H,37,41)
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PC sid
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PubMed
30n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]nitrendipine binding to membrane homogenates of of rat cardiac muscle.


Citation and Details
More data for this
Ligand-Target Pair
Adrenergic alpha1B


(Homo sapiens (Human))
BDBM50030621
PNG
(5-[3-(4,4-Diphenyl-piperidin-1-yl)-propylcarbamoyl...)
Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C36H38N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-12-10-17-30(24-27)40(43)44)34(41)37-20-11-21-39-22-18-36(19-23-39,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24H,11,18-23H2,1-3H3,(H,37,41)
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PC cid
PC sid
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PubMed
234n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to human Alpha-1B adrenergic receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(HUMAN)
BDBM50030621
PNG
(5-[3-(4,4-Diphenyl-piperidin-1-yl)-propylcarbamoyl...)
Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C36H38N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-12-10-17-30(24-27)40(43)44)34(41)37-20-11-21-39-22-18-36(19-23-39,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24H,11,18-23H2,1-3H3,(H,37,41)
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426n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]prazosin binding to human Alpha-1D adrenergic receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Alpha-2C adrenergic receptor


(Homo sapiens (Human))
BDBM50030621
PNG
(5-[3-(4,4-Diphenyl-piperidin-1-yl)-propylcarbamoyl...)
Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C36H38N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-12-10-17-30(24-27)40(43)44)34(41)37-20-11-21-39-22-18-36(19-23-39,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24H,11,18-23H2,1-3H3,(H,37,41)
UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem

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PubMed
560n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]rauwolscine to CHO cells expressing the human Alpha-2C adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50030621
PNG
(5-[3-(4,4-Diphenyl-piperidin-1-yl)-propylcarbamoyl...)
Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C36H38N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-12-10-17-30(24-27)40(43)44)34(41)37-20-11-21-39-22-18-36(19-23-39,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24H,11,18-23H2,1-3H3,(H,37,41)
UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

PubMed
1.23E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2B adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50030621
PNG
(5-[3-(4,4-Diphenyl-piperidin-1-yl)-propylcarbamoyl...)
Show SMILES COC(=O)c1c(C)nc(C)c(C(=O)NCCCN2CCC(CC2)(c2ccccc2)c2ccccc2)c1-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C36H38N4O5/c1-25-31(33(32(26(2)38-25)35(42)45-3)27-12-10-17-30(24-27)40(43)44)34(41)37-20-11-21-39-22-18-36(19-23-39,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24H,11,18-23H2,1-3H3,(H,37,41)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.55E+3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]rauwolscine binding to CHO cells expressing the human Alpha-2A adrenergic receptor


Citation and Details
More data for this
Ligand-Target Pair