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BDBM50251407 (5-chloro-2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7,8-tetrahydroquinolin-5-ylamino)phenyl)methanol::CHEMBL479395

SMILES: CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccc(Cl)cc1CO

InChI Key: InChIKey=MWKMYPWGQZYLTG-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50251407   
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))
BDBM50251407
PNG
((5-chloro-2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccc(Cl)cc1CO
Show InChI InChI=1S/C27H31ClN2O2/c1-4-17-8-6-9-18(5-2)26(17)24-15-25(32-3)27-22(10-7-11-23(27)30-24)29-21-13-12-20(28)14-19(21)16-31/h6,8-9,12-15,22,29,31H,4-5,7,10-11,16H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/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))
BDBM50251407
PNG
((5-chloro-2-(2-(2,6-diethylphenyl)-4-methoxy-5,6,7...)
Show SMILES CCc1cccc(CC)c1-c1cc(OC)c2C(CCCc2n1)Nc1ccc(Cl)cc1CO
Show InChI InChI=1S/C27H31ClN2O2/c1-4-17-8-6-9-18(5-2)26(17)24-15-25(32-3)27-22(10-7-11-23(27)30-24)29-21-13-12-20(28)14-19(21)16-31/h6,8-9,12-15,22,29,31H,4-5,7,10-11,16H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 71n/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