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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Multidrug resistance associated protein' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Multidrug resistance associated protein


(Homo sapiens)
BDBM50391002
PNG
(CHEMBL2074599)
Show SMILES CNc1nc2c(Cc3cccnc3)c(C)c(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)c(C)c2s1
Show InChI InChI=1S/C22H25N3O7S/c1-9-12(7-11-5-4-6-24-8-11)13-19(33-22(23-3)25-13)10(2)17(9)31-21-16(28)14(26)15(27)18(32-21)20(29)30/h4-6,8,14-16,18,21,26-28H,7H2,1-3H3,(H,23,25)(H,29,30)/t14-,15-,16+,18-,21+/m0/s1
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
5.60E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP3-expressing Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Multidrug resistance associated protein


(Homo sapiens)
BDBM50391003
PNG
(CHEMBL493586)
Show SMILES O[C@@H]1[C@@H](O)[C@H](OCc2cc(=O)oc3cc(O)ccc23)O[C@@H]([C@H]1O)C(O)=O
Show InChI InChI=1S/C16H16O10/c17-7-1-2-8-6(3-10(18)25-9(8)4-7)5-24-16-13(21)11(19)12(20)14(26-16)15(22)23/h1-4,11-14,16-17,19-21H,5H2,(H,22,23)/t11-,12-,13+,14-,16+/m0/s1
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
AffyNet 
Article
PubMed
1.05E+5n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP3-expressing Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Multidrug resistance associated protein


(Homo sapiens)
BDBM50391004
PNG
(CHEMBL213947)
Show SMILES N[C@@H](CCC(=O)N[C@H](CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O
Show InChI InChI=1S/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H,18,25)(H,19,22)(H,23,24)(H,26,27)/t9-,10+/m0/s1
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CHEMBL
DrugBank
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
3.37E+5n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP3-expressing Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Multidrug resistance associated protein


(Homo sapiens)
BDBM18050
PNG
(2-[(4-{[(2,4-diaminopteridin-6-yl)methyl](methyl)a...)
Show SMILES CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1
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CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
1.20E+6n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake in membrane vesicle from MRP3-expressing Sf9 cells


Citation and Details
More data for this
Ligand-Target Pair
Multidrug resistance associated protein


(Homo sapiens)
BDBM50375594
PNG
(TAUROCHOLATE)
Show SMILES C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Show InChI InChI=1S/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)/t15-,16+,17-,18-,19+,20+,21-,22+,24+,25+,26-/m1/s1
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MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Queen's University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of E217betaG uptake (E217betaG: 0.4 uM) in membrane vesicles from MRP3-expressing HEK cells


Citation and Details
More data for this
Ligand-Target Pair