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Compile Data Set for Download or QSAR

Found 4 hits of ki data for polymerid = 4026   
Target/Host
(Institution)
LigandTarget/Host
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
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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Article
PubMed
500n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of ATPase in membrane vesicle from BCRP-expressing Sf9 cells


Biochem Biophys Res Commun 285: 111-7 (2001)


Article DOI: 10.1006/bbrc.2001.5130
BindingDB Entry DOI: 10.7270/Q2W37XK5
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM32628
PNG
(FTC | Fumitremorgin C)
Show SMILES COc1ccc2c3C[C@@H]4N([C@@H](C=C(C)C)c3[nH]c2c1)C(=O)[C@@H]1CCCN1C4=O
Show InChI InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1
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Article
PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of ATPase in membrane vesicle from BCRP-expressing Sf9 cells


Biochem Biophys Res Commun 285: 111-7 (2001)


Article DOI: 10.1006/bbrc.2001.5130
BindingDB Entry DOI: 10.7270/Q2W37XK5
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50239302
PNG
(CHEMBL4071857)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3ccccc23)-c2ccncc2)cc1
Show InChI InChI=1S/C20H13F3N4/c21-20(22,23)14-5-7-15(8-6-14)25-19-16-3-1-2-4-17(16)26-18(27-19)13-9-11-24-12-10-13/h1-12H,(H,25,26,27)
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Article
PubMed
2.70E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) ATPase activity expressed in baculovirus infected high five cell membranes by ascorbic acid/ammonia molybdate re...


J Med Chem 60: 4474-4495 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00441
BindingDB Entry DOI: 10.7270/Q2GT5Q9V
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50239301
PNG
(CHEMBL4065492)
Show SMILES FC(F)(F)c1cccc(Nc2nc(nc3ccccc23)-c2ccncc2)c1
Show InChI InChI=1S/C20H13F3N4/c21-20(22,23)14-4-3-5-15(12-14)25-19-16-6-1-2-7-17(16)26-18(27-19)13-8-10-24-11-9-13/h1-12H,(H,25,26,27)
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Article
PubMed
2.80E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) ATPase activity expressed in baculovirus infected high five cell membranes by ascorbic acid/ammonia molybdate re...


J Med Chem 60: 4474-4495 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00441
BindingDB Entry DOI: 10.7270/Q2GT5Q9V
More data for this
Ligand-Target Pair