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BDBM50284680 (3S,4S)-3-Pyridin-3-ylmethyl-6-(quinolin-2-ylmethoxy)-chroman-4-ol::3-Pyridin-3-ylmethyl-6-(quinolin-2-ylmethoxy)-chroman-4-ol::CHEMBL282524::CP-80798

SMILES: O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3ccc4ccccc4n3)cc12

InChI Key: InChIKey=HEVNATFMGRLJPZ-DFBJGRDBSA-N

Data: 4 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 5 hits for monomerid = 50284680   
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
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284680
PNG
((3S,4S)-3-Pyridin-3-ylmethyl-6-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-10-9-21(13-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
650n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTD4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1365-1370 (1995)


Article DOI: 10.1016/0960-894X(95)00225-I
BindingDB Entry DOI: 10.7270/Q2VH5NSM
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284680
PNG
((3S,4S)-3-Pyridin-3-ylmethyl-6-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-10-9-21(13-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
1.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human leukotriene D4 (LTD4)


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284680
PNG
((3S,4S)-3-Pyridin-3-ylmethyl-6-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-10-9-21(13-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
1.64E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for the inhibition of [3H]-leukotriene D4 binding to LTD4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 5: 1371-1376 (1995)


Article DOI: 10.1016/0960-894X(95)00226-J
BindingDB Entry DOI: 10.7270/Q2QR4X29
More data for this
Ligand-Target Pair
LTB4R


(Homo sapiens (Human))
BDBM50284680
PNG
((3S,4S)-3-Pyridin-3-ylmethyl-6-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-10-9-21(13-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25-/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
3.80E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human neutrophil leukotriene B4 (LTB4)


Bioorg Med Chem Lett 5: 887-892 (1995)


Article DOI: 10.1016/0960-894X(95)00135-G
BindingDB Entry DOI: 10.7270/Q2J966BX
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Rattus norvegicus)
BDBM50284680
PNG
((3S,4S)-3-Pyridin-3-ylmethyl-6-(quinolin-2-ylmetho...)
Show SMILES O[C@H]1[C@@H](Cc2cccnc2)COc2ccc(OCc3ccc4ccccc4n3)cc12
Show InChI InChI=1S/C25H22N2O3/c28-25-19(12-17-4-3-11-26-14-17)15-30-24-10-9-21(13-22(24)25)29-16-20-8-7-18-5-1-2-6-23(18)27-20/h1-11,13-14,19,25,28H,12,15-16H2/t19-,25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
n/an/a 1.90E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of 5-Lipoxygenase (5-LO) in rat basophilic leukemia cells


Bioorg Med Chem Lett 5: 1365-1370 (1995)


Article DOI: 10.1016/0960-894X(95)00225-I
BindingDB Entry DOI: 10.7270/Q2VH5NSM
More data for this
Ligand-Target Pair