BindingDB logo
myBDB logout

BDBM50174852 CHEMBL198648::rac-N-((3-(9-chloro-3-methyl-4-oxoisoxazolo[4,3-c]quinolin-5(4H)-yl)cyclohexyl)methyl)-3,4,5-trimethoxybenzamide

SMILES: COc1cc(cc(OC)c1OC)C(=O)NC[C@@H]1CCC[C@@H](C1)n1c2cccc(Cl)c2c2noc(C)c2c1=O

InChI Key: InChIKey=GLFVOIXTBZKQBV-AEFFLSMTSA-N

Data: 1 IC50  1 EC50

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 = 50174852   
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
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50174852
PNG
(CHEMBL198648 | rac-N-((3-(9-chloro-3-methyl-4-oxoi...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC[C@@H]1CCC[C@@H](C1)n1c2cccc(Cl)c2c2noc(C)c2c1=O
Show InChI InChI=1S/C28H30ClN3O6/c1-15-23-25(31-38-15)24-19(29)9-6-10-20(24)32(28(23)34)18-8-5-7-16(11-18)14-30-27(33)17-12-21(35-2)26(37-4)22(13-17)36-3/h6,9-10,12-13,16,18H,5,7-8,11,14H2,1-4H3,(H,30,33)/t16-,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1-mediated LTC4 uptake into membrane vesicles from HeLa-T5 cells expressing MRP1


Bioorg Med Chem Lett 15: 5526-30 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.075
BindingDB Entry DOI: 10.7270/Q2VX0G1X
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50174852
PNG
(CHEMBL198648 | rac-N-((3-(9-chloro-3-methyl-4-oxoi...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC[C@@H]1CCC[C@@H](C1)n1c2cccc(Cl)c2c2noc(C)c2c1=O
Show InChI InChI=1S/C28H30ClN3O6/c1-15-23-25(31-38-15)24-19(29)9-6-10-20(24)32(28(23)34)18-8-5-7-16(11-18)14-30-27(33)17-12-21(35-2)26(37-4)22(13-17)36-3/h6,9-10,12-13,16,18H,5,7-8,11,14H2,1-4H3,(H,30,33)/t16-,18+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 250n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibitory activity against MRP1 in HeLa-T5 cells


Bioorg Med Chem Lett 15: 5526-30 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.075
BindingDB Entry DOI: 10.7270/Q2VX0G1X
More data for this
Ligand-Target Pair