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Compile Data Set for Download or QSAR

Found 6 hits of ec50 for UniProtKB: Q92887   
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
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))
BDBM50047316
PNG
(CHEMBL3314525)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1ncc(s1)C(O)=O |r|
Show InChI InChI=1S/C16H18Cl2N4O4S/c1-7-11(17)12(18)13(20-7)14(23)21-8-3-4-22(6-9(8)26-2)16-19-5-10(27-16)15(24)25/h5,8-9,20H,3-4,6H2,1-2H3,(H,21,23)(H,24,25)/t8-,9+/m1/s1
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n/an/an/an/a 7.10E+4n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Stimulation of ATPase activity of human MRP2 assessed as inorganic phosphate


J Med Chem 57: 6060-82 (2014)


Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))
BDBM50047309
PNG
(CHEMBL3314576)
Show SMILES CO[C@H]1CN(CC[C@H]1NC(=O)c1[nH]c(C)c(Cl)c1Cl)c1nc(c(s1)C(O)=O)-c1ncnn1C |r|
Show InChI InChI=1S/C19H21Cl2N7O4S/c1-8-11(20)12(21)13(24-8)17(29)25-9-4-5-28(6-10(9)32-3)19-26-14(15(33-19)18(30)31)16-22-7-23-27(16)2/h7,9-10,24H,4-6H2,1-3H3,(H,25,29)(H,30,31)/t9-,10+/m1/s1
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n/an/an/an/a 1.40E+5n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Stimulation of ATPase activity of human MRP2 assessed as inorganic phosphate


J Med Chem 57: 6060-82 (2014)


Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))
BDBM50358848
PNG
(CHEMBL1923433)
Show SMILES Cc1[nH]c(C(=O)NC2CCN(CC2)c2ncc(s2)C(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C15H16Cl2N4O3S/c1-7-10(16)11(17)12(19-7)13(22)20-8-2-4-21(5-3-8)15-18-6-9(25-15)14(23)24/h6,8,19H,2-5H2,1H3,(H,20,22)(H,23,24)
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n/an/an/an/a 1.45E+5n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Stimulation of ATPase activity of human MRP2 assessed as inorganic phosphate


J Med Chem 57: 6060-82 (2014)


Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))
BDBM50047215
PNG
(CHEMBL3314567)
Show SMILES COCC(COC)NC(=O)c1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC |r|
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n/an/an/an/a>2.00E+5n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Stimulation of ATPase activity of human MRP2 assessed as inorganic phosphate


J Med Chem 57: 6060-82 (2014)


Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))
BDBM50047213
PNG
(CHEMBL3314565)
Show SMILES COC[C@H](C)NC(=O)c1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC |r|
Show InChI InChI=1S/C21H27Cl2N5O6S/c1-9(8-33-3)24-19(30)16-17(20(31)32)35-21(27-16)28-6-5-11(12(7-28)34-4)26-18(29)15-14(23)13(22)10(2)25-15/h9,11-12,25H,5-8H2,1-4H3,(H,24,30)(H,26,29)(H,31,32)/t9-,11+,12-/m0/s1
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CHEMBL
MCE
PC cid
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Article
PubMed
n/an/an/an/a>2.00E+5n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Stimulation of ATPase activity of human MRP2 assessed as inorganic phosphate


J Med Chem 57: 6060-82 (2014)


Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family C member 2


(Homo sapiens (Human))
BDBM50047200
PNG
(CHEMBL3314564)
Show SMILES COCCNC(=O)c1nc(sc1C(O)=O)N1CC[C@@H](NC(=O)c2[nH]c(C)c(Cl)c2Cl)[C@H](C1)OC |r|
Show InChI InChI=1S/C20H25Cl2N5O6S/c1-9-12(21)13(22)14(24-9)18(29)25-10-4-6-27(8-11(10)33-3)20-26-15(16(34-20)19(30)31)17(28)23-5-7-32-2/h10-11,24H,4-8H2,1-3H3,(H,23,28)(H,25,29)(H,30,31)/t10-,11+/m1/s1
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PubMed
n/an/an/an/a>2.00E+5n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Stimulation of ATPase activity of human MRP2 assessed as inorganic phosphate


J Med Chem 57: 6060-82 (2014)


Article DOI: 10.1021/jm500462x
BindingDB Entry DOI: 10.7270/Q24J0GR1
More data for this
Ligand-Target Pair