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Compile Data Set for Download or QSAR

Found 2 hits of kd data for polymerid = 50001079,8500   
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))
BDBM50117928
PNG
(2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phen...)
Show SMILES COc1ccc(CCN(CCC[C@](C)(C#N)c2ccc(OC)c(OC)c2)C(C)C)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)29(16-13-21-9-11-23(30-4)25(17-21)32-6)15-8-14-27(3,19-28)22-10-12-24(31-5)26(18-22)33-7/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 35n/an/an/an/an/a



Institut de Biologie et Chimie des Protéines

Curated by ChEMBL


Assay Description
Binding activity to human MRP1 expressed in BHK21 cells


J Biol Chem 282: 31542-8 (2007)

More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50005628
PNG
((S) Verapamil | (S)-5-((3,4-dimethoxyphenethyl)(me...)
Show SMILES COc1ccc(CCN(C)CCC[C@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m0/s1
PDB

UniProtKB/SwissProt

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AffyNet 
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CHEMBL
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/an/a 113n/an/an/an/an/a



Institut de Biologie et Chimie des Protéines

Curated by ChEMBL


Assay Description
Binding activity to human MRP1 expressed in BHK21 cells


J Biol Chem 282: 31542-8 (2007)

More data for this
Ligand-Target Pair