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3 similar compounds to monomer 50174854

Compile data set for download or QSAR
Wt: 540.0
BDBM50174852
Wt: 449.9
BDBM50174853
Wt: 540.0
BDBM50174855

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50174852,50174853,50174855   
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
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UniProtKB/SwissProt

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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
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50174855
PNG
(CHEMBL437892 | 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-/m0/s1
PDB

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 420n/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
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
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CHEMBL
PC cid
PC sid
UniChem

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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))
BDBM50174853
PNG
(CHEMBL199217 | rac-N-((3-(9-chloro-3-methyl-4-oxoi...)
Show SMILES Cc1onc2c1c(=O)n([C@H]1CCC[C@H](CNC(=O)c3ccccc3)C1)c1cccc(Cl)c21
Show InChI InChI=1S/C25H24ClN3O3/c1-15-21-23(28-32-15)22-19(26)11-6-12-20(22)29(25(21)31)18-10-5-7-16(13-18)14-27-24(30)17-8-3-2-4-9-17/h2-4,6,8-9,11-12,16,18H,5,7,10,13-14H2,1H3,(H,27,30)/t16-,18-/m0/s1
PDB

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PubMed
n/an/a 1.01E+3n/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))
BDBM50174853
PNG
(CHEMBL199217 | rac-N-((3-(9-chloro-3-methyl-4-oxoi...)
Show SMILES Cc1onc2c1c(=O)n([C@H]1CCC[C@H](CNC(=O)c3ccccc3)C1)c1cccc(Cl)c21
Show InChI InChI=1S/C25H24ClN3O3/c1-15-21-23(28-32-15)22-19(26)11-6-12-20(22)29(25(21)31)18-10-5-7-16(13-18)14-27-24(30)17-8-3-2-4-9-17/h2-4,6,8-9,11-12,16,18H,5,7,10,13-14H2,1H3,(H,27,30)/t16-,18-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 640n/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