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BDBM50238586 (+/-)-2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-phenyl-5,6,7,8-tetrahydroquinolin-5-amine::2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-phenyl-5,6,7,8-tetrahydroquinolin-5-amine::CHEMBL410927

SMILES: CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1ccccc1

InChI Key: InChIKey=BGVMOAYPPKYPSF-UHFFFAOYSA-N

Data: 2 KI  2 IC50

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 4 hits for monomerid = 50238586   
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
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50238586
PNG
((+/-)-2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-p...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1ccccc1
Show InChI InChI=1S/C27H32N2O/c1-5-19-12-10-13-20(6-2)26(19)23-18-25(30-4)27-22(28-23)16-11-17-24(27)29(3)21-14-8-7-9-15-21/h7-10,12-15,18,24H,5-6,11,16-17H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Similars

Article
PubMed
680n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human recombinant C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50238586
PNG
((+/-)-2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-p...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1ccccc1
Show InChI InChI=1S/C27H32N2O/c1-5-19-12-10-13-20(6-2)26(19)23-18-25(30-4)27-22(28-23)16-11-17-24(27)29(3)21-14-8-7-9-15-21/h7-10,12-15,18,24H,5-6,11,16-17H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
680n/an/an/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Displacement of [125I]C5a from human C5a receptor in U937 cells


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50238586
PNG
((+/-)-2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-p...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1ccccc1
Show InChI InChI=1S/C27H32N2O/c1-5-19-12-10-13-20(6-2)26(19)23-18-25(30-4)27-22(28-23)16-11-17-24(27)29(3)21-14-8-7-9-15-21/h7-10,12-15,18,24H,5-6,11,16-17H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



Johnson& Johnson PRD

Curated by ChEMBL


Assay Description
Antagonist activity at human C5a receptor in U937 cells assessed as inhibition of anaphylatoxin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 18: 2544-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.049
BindingDB Entry DOI: 10.7270/Q2JM2BHD
More data for this
Ligand-Target Pair
C5a anaphylatoxin chemotactic receptor (C5aR)


(Homo sapiens (Human))
BDBM50238586
PNG
((+/-)-2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-p...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)N(C)c1ccccc1
Show InChI InChI=1S/C27H32N2O/c1-5-19-12-10-13-20(6-2)26(19)23-18-25(30-4)27-22(28-23)16-11-17-24(27)29(3)21-14-8-7-9-15-21/h7-10,12-15,18,24H,5-6,11,16-17H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant C5a receptor in U937 cells assessed as inhibition of C5a-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 18: 3852-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.059
BindingDB Entry DOI: 10.7270/Q2765F4X
More data for this
Ligand-Target Pair