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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 2703.1
BDBM50332664
Wt: 2722.1
BDBM50332665
Wt: 2721.1
BDBM50332667
Wt: 2722.1
BDBM50332670
Wt: 2689.1
BDBM50332672
Wt: 2707.1
BDBM50332673
Wt: 2717.1
BDBM50332674
Wt: 2717.1
BDBM50332682
Wt: 2727.2
BDBM50332693
Wt: 2711.1
BDBM50332706
Wt: 2653.0
BDBM50332708
Wt: 2703.1
BDBM50332711
Wt: 2722.1
BDBM50332712
Wt: 2721.1
BDBM50332714
Wt: 2722.1
BDBM50332717
Displayed 1 to 15 (of 57 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 15 hits in this display   
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 A member 1


(Mus musculus)
BDBM50332664
PNG
(CHEMBL1632427)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C121H208N32O37/c1-16-17-18-19-31-71(134-109(179)79(40-46-94(161)162)144-118(188)88(61-97(167)168)150-116(186)86(59-66(10)11)151-120(190)98(67(12)13)152-119(189)89-36-29-54-153(89)69(15)154)102(172)137-75(35-28-53-131-121(129)130)104(174)140-78(39-45-93(159)160)108(178)136-74(34-23-27-52-125)106(176)147-85(58-65(8)9)115(185)149-87(60-91(127)156)117(187)143-80(41-47-95(163)164)110(180)141-81(42-48-96(165)166)111(181)148-84(57-64(6)7)114(184)142-77(38-44-92(157)158)101(171)132-68(14)100(170)145-82(55-62(2)3)113(183)138-72(32-21-25-50-123)103(173)139-76(37-43-90(126)155)107(177)135-73(33-22-26-51-124)105(175)146-83(56-63(4)5)112(182)133-70(99(128)169)30-20-24-49-122/h16,62-68,70-89,98H,1,17-61,122-125H2,2-15H3,(H2,126,155)(H2,127,156)(H2,128,169)(H,132,171)(H,133,182)(H,134,179)(H,135,177)(H,136,178)(H,137,172)(H,138,183)(H,139,173)(H,140,174)(H,141,180)(H,142,184)(H,143,187)(H,144,188)(H,145,170)(H,146,175)(H,147,176)(H,148,181)(H,149,185)(H,150,186)(H,151,190)(H,152,189)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H4,129,130,131)/t68-,70-,71+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,98-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Bioorg Med Chem 18: 8669-78 (2010)


Article DOI: 10.1016/j.bmc.2010.09.074
BindingDB Entry DOI: 10.7270/Q2H41RP3
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332717
PNG
(CHEMBL1632421)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCC=C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C124H205N31O37/c1-16-17-18-22-34-74(107(176)147-85(57-65(4)5)114(183)135-73(102(130)171)33-23-26-51-125)136-109(178)78(39-45-93(128)157)140-105(174)75(35-24-27-52-126)138-115(184)84(56-64(2)3)146-103(172)70(14)134-104(173)79(40-46-95(159)160)143-116(185)86(58-66(6)7)149-112(181)82(43-49-98(165)166)142-111(180)81(42-48-97(163)164)144-120(189)90(62-94(129)158)151-117(186)87(59-67(8)9)148-108(177)76(36-25-28-53-127)137-110(179)80(41-47-96(161)162)141-106(175)77(37-29-54-133-124(131)132)139-119(188)89(61-72-31-20-19-21-32-72)150-113(182)83(44-50-99(167)168)145-121(190)91(63-100(169)170)152-118(187)88(60-68(10)11)153-123(192)101(69(12)13)154-122(191)92-38-30-55-155(92)71(15)156/h16,19-21,31-32,64-70,73-92,101H,1,17-18,22-30,33-63,125-127H2,2-15H3,(H2,128,157)(H2,129,158)(H2,130,171)(H,134,173)(H,135,183)(H,136,178)(H,137,179)(H,138,184)(H,139,188)(H,140,174)(H,141,175)(H,142,180)(H,143,185)(H,144,189)(H,145,190)(H,146,172)(H,147,176)(H,148,177)(H,149,181)(H,150,182)(H,151,186)(H,152,187)(H,153,192)(H,154,191)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H4,131,132,133)/t70-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,101-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.13E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Bioorg Med Chem 18: 8669-78 (2010)


Article DOI: 10.1016/j.bmc.2010.09.074
BindingDB Entry DOI: 10.7270/Q2H41RP3
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332667
PNG
(CHEMBL1632430)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C125H210N32O35/c1-16-17-18-22-36-76(108(176)150-88(60-68(6)7)117(185)145-82(43-48-97(161)162)105(173)136-72(14)104(172)148-86(58-66(2)3)116(184)141-77(37-24-28-53-127)106(174)143-81(42-47-95(130)159)111(179)139-78(38-25-29-54-128)109(177)149-87(59-67(4)5)115(183)137-75(103(132)171)35-23-27-52-126)138-113(181)84(45-50-99(165)166)146-121(189)92(64-96(131)160)153-118(186)89(61-69(8)9)151-110(178)79(39-26-30-55-129)140-112(180)83(44-49-98(163)164)144-107(175)80(40-31-56-135-125(133)134)142-120(188)91(63-74-33-20-19-21-34-74)152-114(182)85(46-51-100(167)168)147-122(190)93(65-101(169)170)154-119(187)90(62-70(10)11)155-124(192)102(71(12)13)156-123(191)94-41-32-57-157(94)73(15)158/h16,19-21,33-34,66-72,75-94,102H,1,17-18,22-32,35-65,126-129H2,2-15H3,(H2,130,159)(H2,131,160)(H2,132,171)(H,136,173)(H,137,183)(H,138,181)(H,139,179)(H,140,180)(H,141,184)(H,142,188)(H,143,174)(H,144,175)(H,145,185)(H,146,189)(H,147,190)(H,148,172)(H,149,177)(H,150,176)(H,151,178)(H,152,182)(H,153,186)(H,154,187)(H,155,192)(H,156,191)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H4,133,134,135)/t72-,75-,76+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,102-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 3.10E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Bioorg Med Chem 18: 8669-78 (2010)


Article DOI: 10.1016/j.bmc.2010.09.074
BindingDB Entry DOI: 10.7270/Q2H41RP3
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332670
PNG
(CHEMBL1632433)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CCCCC=C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C124H205N31O37/c1-16-17-18-22-34-74(107(176)147-85(57-65(4)5)114(183)135-73(102(130)171)33-23-26-51-125)136-109(178)78(39-45-93(128)157)140-105(174)75(35-24-27-52-126)138-115(184)84(56-64(2)3)146-103(172)70(14)134-104(173)79(40-46-95(159)160)143-116(185)86(58-66(6)7)149-112(181)82(43-49-98(165)166)142-111(180)81(42-48-97(163)164)144-120(189)90(62-94(129)158)151-117(186)87(59-67(8)9)148-108(177)76(36-25-28-53-127)137-110(179)80(41-47-96(161)162)141-106(175)77(37-29-54-133-124(131)132)139-119(188)89(61-72-31-20-19-21-32-72)150-113(182)83(44-50-99(167)168)145-121(190)91(63-100(169)170)152-118(187)88(60-68(10)11)153-123(192)101(69(12)13)154-122(191)92-38-30-55-155(92)71(15)156/h16,19-21,31-32,64-70,73-92,101H,1,17-18,22-30,33-63,125-127H2,2-15H3,(H2,128,157)(H2,129,158)(H2,130,171)(H,134,173)(H,135,183)(H,136,178)(H,137,179)(H,138,184)(H,139,188)(H,140,174)(H,141,175)(H,142,180)(H,143,185)(H,144,189)(H,145,190)(H,146,172)(H,147,176)(H,148,177)(H,149,181)(H,150,182)(H,151,186)(H,152,187)(H,153,192)(H,154,191)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H4,131,132,133)/t70-,73-,74+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,101-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Bioorg Med Chem 18: 8669-78 (2010)


Article DOI: 10.1016/j.bmc.2010.09.074
BindingDB Entry DOI: 10.7270/Q2H41RP3
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332672
PNG
(CHEMBL1632435)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C120H206N32O37/c1-16-17-18-30-70(133-108(178)78(39-45-93(160)161)143-117(187)87(60-96(166)167)149-115(185)85(58-65(10)11)150-119(189)97(66(12)13)151-118(188)88-35-28-53-152(88)68(15)153)101(171)136-74(34-27-52-130-120(128)129)103(173)139-77(38-44-92(158)159)107(177)135-73(33-22-26-51-124)105(175)146-84(57-64(8)9)114(184)148-86(59-90(126)155)116(186)142-79(40-46-94(162)163)109(179)140-80(41-47-95(164)165)110(180)147-83(56-63(6)7)113(183)141-76(37-43-91(156)157)100(170)131-67(14)99(169)144-81(54-61(2)3)112(182)137-71(31-20-24-49-122)102(172)138-75(36-42-89(125)154)106(176)134-72(32-21-25-50-123)104(174)145-82(55-62(4)5)111(181)132-69(98(127)168)29-19-23-48-121/h16,61-67,69-88,97H,1,17-60,121-124H2,2-15H3,(H2,125,154)(H2,126,155)(H2,127,168)(H,131,170)(H,132,181)(H,133,178)(H,134,176)(H,135,177)(H,136,171)(H,137,182)(H,138,172)(H,139,173)(H,140,179)(H,141,183)(H,142,186)(H,143,187)(H,144,169)(H,145,174)(H,146,175)(H,147,180)(H,148,184)(H,149,185)(H,150,189)(H,151,188)(H,156,157)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H4,128,129,130)/t67-,69-,70+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,97-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Bioorg Med Chem 18: 8669-78 (2010)


Article DOI: 10.1016/j.bmc.2010.09.074
BindingDB Entry DOI: 10.7270/Q2H41RP3
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332673
PNG
(CHEMBL1632436)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C124H208N32O35/c1-16-17-19-35-75(107(175)149-87(59-67(6)7)116(184)144-81(42-47-96(160)161)104(172)135-71(14)103(171)147-85(57-65(2)3)115(183)140-76(36-23-27-52-126)105(173)142-80(41-46-94(129)158)110(178)138-77(37-24-28-53-127)108(176)148-86(58-66(4)5)114(182)136-74(102(131)170)34-22-26-51-125)137-112(180)83(44-49-98(164)165)145-120(188)91(63-95(130)159)152-117(185)88(60-68(8)9)150-109(177)78(38-25-29-54-128)139-111(179)82(43-48-97(162)163)143-106(174)79(39-30-55-134-124(132)133)141-119(187)90(62-73-32-20-18-21-33-73)151-113(181)84(45-50-99(166)167)146-121(189)92(64-100(168)169)153-118(186)89(61-69(10)11)154-123(191)101(70(12)13)155-122(190)93-40-31-56-156(93)72(15)157/h16,18,20-21,32-33,65-71,74-93,101H,1,17,19,22-31,34-64,125-128H2,2-15H3,(H2,129,158)(H2,130,159)(H2,131,170)(H,135,172)(H,136,182)(H,137,180)(H,138,178)(H,139,179)(H,140,183)(H,141,187)(H,142,173)(H,143,174)(H,144,184)(H,145,188)(H,146,189)(H,147,171)(H,148,176)(H,149,175)(H,150,177)(H,151,181)(H,152,185)(H,153,186)(H,154,191)(H,155,190)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H4,132,133,134)/t71-,74-,75+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,101-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Bioorg Med Chem 18: 8669-78 (2010)


Article DOI: 10.1016/j.bmc.2010.09.074
BindingDB Entry DOI: 10.7270/Q2H41RP3
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332674
PNG
(CHEMBL1632437)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C122H210N32O37/c1-16-17-18-19-20-32-72(135-110(180)80(41-47-95(162)163)145-119(189)89(62-98(168)169)151-117(187)87(60-67(10)11)152-121(191)99(68(12)13)153-120(190)90-37-30-55-154(90)70(15)155)103(173)138-76(36-29-54-132-122(130)131)105(175)141-79(40-46-94(160)161)109(179)137-75(35-24-28-53-126)107(177)148-86(59-66(8)9)116(186)150-88(61-92(128)157)118(188)144-81(42-48-96(164)165)111(181)142-82(43-49-97(166)167)112(182)149-85(58-65(6)7)115(185)143-78(39-45-93(158)159)102(172)133-69(14)101(171)146-83(56-63(2)3)114(184)139-73(33-22-26-51-124)104(174)140-77(38-44-91(127)156)108(178)136-74(34-23-27-52-125)106(176)147-84(57-64(4)5)113(183)134-71(100(129)170)31-21-25-50-123/h16,63-69,71-90,99H,1,17-62,123-126H2,2-15H3,(H2,127,156)(H2,128,157)(H2,129,170)(H,133,172)(H,134,183)(H,135,180)(H,136,178)(H,137,179)(H,138,173)(H,139,184)(H,140,174)(H,141,175)(H,142,181)(H,143,185)(H,144,188)(H,145,189)(H,146,171)(H,147,176)(H,148,177)(H,149,182)(H,150,186)(H,151,187)(H,152,191)(H,153,190)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H4,130,131,132)/t69-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,99-/m0/s1
PDB

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UniProtKB/SwissProt

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UniChem

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PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Bioorg Med Chem 18: 8669-78 (2010)


Article DOI: 10.1016/j.bmc.2010.09.074
BindingDB Entry DOI: 10.7270/Q2H41RP3
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332682
PNG
(CHEMBL1630182)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C122H210N32O37/c1-16-17-18-19-20-32-72(135-110(180)80(41-47-95(162)163)145-119(189)89(62-98(168)169)151-117(187)87(60-67(10)11)152-121(191)99(68(12)13)153-120(190)90-37-30-55-154(90)70(15)155)103(173)138-76(36-29-54-132-122(130)131)105(175)141-79(40-46-94(160)161)109(179)137-75(35-24-28-53-126)107(177)148-86(59-66(8)9)116(186)150-88(61-92(128)157)118(188)144-81(42-48-96(164)165)111(181)142-82(43-49-97(166)167)112(182)149-85(58-65(6)7)115(185)143-78(39-45-93(158)159)102(172)133-69(14)101(171)146-83(56-63(2)3)114(184)139-73(33-22-26-51-124)104(174)140-77(38-44-91(127)156)108(178)136-74(34-23-27-52-125)106(176)147-84(57-64(4)5)113(183)134-71(100(129)170)31-21-25-50-123/h16,63-69,71-90,99H,1,17-62,123-126H2,2-15H3,(H2,127,156)(H2,128,157)(H2,129,170)(H,133,172)(H,134,183)(H,135,180)(H,136,178)(H,137,179)(H,138,173)(H,139,184)(H,140,174)(H,141,175)(H,142,181)(H,143,185)(H,144,188)(H,145,189)(H,146,171)(H,147,176)(H,148,177)(H,149,182)(H,150,186)(H,151,187)(H,152,191)(H,153,190)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H4,130,131,132)/t69-,71-,72+,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,99-/m0/s1
PDB

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UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Bioorg Med Chem 18: 8669-78 (2010)


Article DOI: 10.1016/j.bmc.2010.09.074
BindingDB Entry DOI: 10.7270/Q2H41RP3
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332693
PNG
(CHEMBL1630194)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C125H216N32O35/c1-17-19-21-23-25-38-77(109(177)151-89(62-69(7)8)118(186)146-83(45-50-97(161)162)105(173)136-73(15)104(172)149-87(60-67(3)4)117(185)143-78(39-27-31-55-127)107(175)144-82(44-49-95(130)159)112(180)140-79(40-28-32-56-128)110(178)150-88(61-68(5)6)116(184)137-75(103(132)171)36-26-30-54-126)139-114(182)85(47-52-99(165)166)147-121(189)92(65-96(131)160)153-119(187)90(63-70(9)10)152-111(179)80(41-29-33-57-129)141-113(181)84(46-51-98(163)164)145-108(176)81(42-34-58-135-125(133)134)142-106(174)76(37-24-22-20-18-2)138-115(183)86(48-53-100(167)168)148-122(190)93(66-101(169)170)154-120(188)91(64-71(11)12)155-124(192)102(72(13)14)156-123(191)94-43-35-59-157(94)74(16)158/h17-18,67-73,75-94,102H,1-2,19-66,126-129H2,3-16H3,(H2,130,159)(H2,131,160)(H2,132,171)(H,136,173)(H,137,184)(H,138,183)(H,139,182)(H,140,180)(H,141,181)(H,142,174)(H,143,185)(H,144,175)(H,145,176)(H,146,186)(H,147,189)(H,148,190)(H,149,172)(H,150,178)(H,151,177)(H,152,179)(H,153,187)(H,154,188)(H,155,192)(H,156,191)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H4,133,134,135)/t73-,75-,76+,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,102-/m0/s1
PDB

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UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/an/an/a 800n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Bioorg Med Chem 18: 8669-78 (2010)


Article DOI: 10.1016/j.bmc.2010.09.074
BindingDB Entry DOI: 10.7270/Q2H41RP3
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332706
PNG
(CHEMBL1631105 | PVLDEFREKLNEELEALKQKLK)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C122H204N32O37/c1-62(2)54-82(113(183)137-72(31-19-23-49-124)103(173)139-76(36-42-91(127)156)107(177)135-73(32-20-24-50-125)105(175)146-83(55-63(3)4)112(182)134-71(100(129)170)30-18-22-48-123)145-101(171)68(13)133-102(172)77(37-43-93(158)159)142-114(184)84(56-64(5)6)148-110(180)80(40-46-96(164)165)141-109(179)79(39-45-95(162)163)143-118(188)88(60-92(128)157)150-115(185)85(57-65(7)8)147-106(176)74(33-21-25-51-126)136-108(178)78(38-44-94(160)161)140-104(174)75(34-26-52-132-122(130)131)138-117(187)87(59-70-28-16-15-17-29-70)149-111(181)81(41-47-97(166)167)144-119(189)89(61-98(168)169)151-116(186)86(58-66(9)10)152-121(191)99(67(11)12)153-120(190)90-35-27-53-154(90)69(14)155/h15-17,28-29,62-68,71-90,99H,18-27,30-61,123-126H2,1-14H3,(H2,127,156)(H2,128,157)(H2,129,170)(H,133,172)(H,134,182)(H,135,177)(H,136,178)(H,137,183)(H,138,187)(H,139,173)(H,140,174)(H,141,179)(H,142,184)(H,143,188)(H,144,189)(H,145,171)(H,146,175)(H,147,176)(H,148,180)(H,149,181)(H,150,185)(H,151,186)(H,152,191)(H,153,190)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H,166,167)(H,168,169)(H4,130,131,132)/t68-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,99-/m0/s1
PDB

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UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Bioorg Med Chem 18: 8669-78 (2010)


Article DOI: 10.1016/j.bmc.2010.09.074
BindingDB Entry DOI: 10.7270/Q2H41RP3
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332708
PNG
(CHEMBL1631677)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C120H202N32O35/c1-61(2)53-81(112(180)136-72(32-20-24-48-122)102(170)138-76(37-42-90(125)154)106(174)134-73(33-21-25-49-123)104(172)145-82(54-62(3)4)111(179)133-71(98(127)166)31-19-23-47-121)143-99(167)67(13)131-101(169)77(38-43-92(156)157)141-113(181)83(55-63(5)6)147-109(177)80(41-46-95(162)163)140-108(176)79(40-45-94(160)161)142-117(185)87(59-91(126)155)148-114(182)84(56-64(7)8)146-105(173)74(34-22-26-50-124)135-107(175)78(39-44-93(158)159)139-103(171)75(35-27-51-130-120(128)129)137-116(184)86(58-70-29-17-16-18-30-70)144-100(168)68(14)132-110(178)88(60-96(164)165)149-115(183)85(57-65(9)10)150-119(187)97(66(11)12)151-118(186)89-36-28-52-152(89)69(15)153/h16-18,29-30,61-68,71-89,97H,19-28,31-60,121-124H2,1-15H3,(H2,125,154)(H2,126,155)(H2,127,166)(H,131,169)(H,132,178)(H,133,179)(H,134,174)(H,135,175)(H,136,180)(H,137,184)(H,138,170)(H,139,171)(H,140,176)(H,141,181)(H,142,185)(H,143,167)(H,144,168)(H,145,172)(H,146,173)(H,147,177)(H,148,182)(H,149,183)(H,150,187)(H,151,186)(H,156,157)(H,158,159)(H,160,161)(H,162,163)(H,164,165)(H4,128,129,130)/t67-,68-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,97-/m0/s1
PDB

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UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/an/an/a 3.40E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Bioorg Med Chem 18: 8669-78 (2010)


Article DOI: 10.1016/j.bmc.2010.09.074
BindingDB Entry DOI: 10.7270/Q2H41RP3
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332711
PNG
(CHEMBL1631680)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C121H208N32O37/c1-16-17-18-19-31-71(134-109(179)79(40-46-94(161)162)144-118(188)88(61-97(167)168)150-116(186)86(59-66(10)11)151-120(190)98(67(12)13)152-119(189)89-36-29-54-153(89)69(15)154)102(172)137-75(35-28-53-131-121(129)130)104(174)140-78(39-45-93(159)160)108(178)136-74(34-23-27-52-125)106(176)147-85(58-65(8)9)115(185)149-87(60-91(127)156)117(187)143-80(41-47-95(163)164)110(180)141-81(42-48-96(165)166)111(181)148-84(57-64(6)7)114(184)142-77(38-44-92(157)158)101(171)132-68(14)100(170)145-82(55-62(2)3)113(183)138-72(32-21-25-50-123)103(173)139-76(37-43-90(126)155)107(177)135-73(33-22-26-51-124)105(175)146-83(56-63(4)5)112(182)133-70(99(128)169)30-20-24-49-122/h16,62-68,70-89,98H,1,17-61,122-125H2,2-15H3,(H2,126,155)(H2,127,156)(H2,128,169)(H,132,171)(H,133,182)(H,134,179)(H,135,177)(H,136,178)(H,137,172)(H,138,183)(H,139,173)(H,140,174)(H,141,180)(H,142,184)(H,143,187)(H,144,188)(H,145,170)(H,146,175)(H,147,176)(H,148,181)(H,149,185)(H,150,186)(H,151,190)(H,152,189)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H4,129,130,131)/t68-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,98-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Bioorg Med Chem 18: 8669-78 (2010)


Article DOI: 10.1016/j.bmc.2010.09.074
BindingDB Entry DOI: 10.7270/Q2H41RP3
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332712
PNG
(CHEMBL1631681)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C124H205N31O37/c1-16-17-18-22-34-74(136-110(179)80(41-47-96(161)162)141-106(175)77(37-29-54-133-124(131)132)139-119(188)89(61-72-31-20-19-21-32-72)150-113(182)83(44-50-99(167)168)145-121(190)91(63-100(169)170)152-118(187)88(60-68(10)11)153-123(192)101(69(12)13)154-122(191)92-38-30-55-155(92)71(15)156)107(176)148-87(59-67(8)9)117(186)151-90(62-94(129)158)120(189)144-81(42-48-97(163)164)111(180)142-82(43-49-98(165)166)112(181)149-86(58-66(6)7)116(185)143-79(40-46-95(159)160)104(173)134-70(14)103(172)146-84(56-64(2)3)115(184)138-75(35-24-27-52-126)105(174)140-78(39-45-93(128)157)109(178)137-76(36-25-28-53-127)108(177)147-85(57-65(4)5)114(183)135-73(102(130)171)33-23-26-51-125/h16,19-21,31-32,64-70,73-92,101H,1,17-18,22-30,33-63,125-127H2,2-15H3,(H2,128,157)(H2,129,158)(H2,130,171)(H,134,173)(H,135,183)(H,136,179)(H,137,178)(H,138,184)(H,139,188)(H,140,174)(H,141,175)(H,142,180)(H,143,185)(H,144,189)(H,145,190)(H,146,172)(H,147,177)(H,148,176)(H,149,181)(H,150,182)(H,151,186)(H,152,187)(H,153,192)(H,154,191)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H4,131,132,133)/t70-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,101-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Bioorg Med Chem 18: 8669-78 (2010)


Article DOI: 10.1016/j.bmc.2010.09.074
BindingDB Entry DOI: 10.7270/Q2H41RP3
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332714
PNG
(CHEMBL1632424)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C125H210N32O35/c1-16-17-18-22-36-76(108(176)150-88(60-68(6)7)117(185)145-82(43-48-97(161)162)105(173)136-72(14)104(172)148-86(58-66(2)3)116(184)141-77(37-24-28-53-127)106(174)143-81(42-47-95(130)159)111(179)139-78(38-25-29-54-128)109(177)149-87(59-67(4)5)115(183)137-75(103(132)171)35-23-27-52-126)138-113(181)84(45-50-99(165)166)146-121(189)92(64-96(131)160)153-118(186)89(61-69(8)9)151-110(178)79(39-26-30-55-129)140-112(180)83(44-49-98(163)164)144-107(175)80(40-31-56-135-125(133)134)142-120(188)91(63-74-33-20-19-21-34-74)152-114(182)85(46-51-100(167)168)147-122(190)93(65-101(169)170)154-119(187)90(62-70(10)11)155-124(192)102(71(12)13)156-123(191)94-41-32-57-157(94)73(15)158/h16,19-21,33-34,66-72,75-94,102H,1,17-18,22-32,35-65,126-129H2,2-15H3,(H2,130,159)(H2,131,160)(H2,132,171)(H,136,173)(H,137,183)(H,138,181)(H,139,179)(H,140,180)(H,141,184)(H,142,188)(H,143,174)(H,144,175)(H,145,185)(H,146,189)(H,147,190)(H,148,172)(H,149,177)(H,150,176)(H,151,178)(H,152,182)(H,153,186)(H,154,187)(H,155,192)(H,156,191)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H4,133,134,135)/t72-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,102-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.40E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Bioorg Med Chem 18: 8669-78 (2010)


Article DOI: 10.1016/j.bmc.2010.09.074
BindingDB Entry DOI: 10.7270/Q2H41RP3
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family A member 1


(Mus musculus)
BDBM50332665
PNG
(CHEMBL1632428)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCC=C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(N)=O
Show InChI InChI=1S/C124H205N31O37/c1-16-17-18-22-34-74(136-110(179)80(41-47-96(161)162)141-106(175)77(37-29-54-133-124(131)132)139-119(188)89(61-72-31-20-19-21-32-72)150-113(182)83(44-50-99(167)168)145-121(190)91(63-100(169)170)152-118(187)88(60-68(10)11)153-123(192)101(69(12)13)154-122(191)92-38-30-55-155(92)71(15)156)107(176)148-87(59-67(8)9)117(186)151-90(62-94(129)158)120(189)144-81(42-48-97(163)164)111(180)142-82(43-49-98(165)166)112(181)149-86(58-66(6)7)116(185)143-79(40-46-95(159)160)104(173)134-70(14)103(172)146-84(56-64(2)3)115(184)138-75(35-24-27-52-126)105(174)140-78(39-45-93(128)157)109(178)137-76(36-25-28-53-127)108(177)147-85(57-65(4)5)114(183)135-73(102(130)171)33-23-26-51-125/h16,19-21,31-32,64-70,73-92,101H,1,17-18,22-30,33-63,125-127H2,2-15H3,(H2,128,157)(H2,129,158)(H2,130,171)(H,134,173)(H,135,183)(H,136,179)(H,137,178)(H,138,184)(H,139,188)(H,140,174)(H,141,175)(H,142,180)(H,143,185)(H,144,189)(H,145,190)(H,146,172)(H,147,177)(H,148,176)(H,149,181)(H,150,182)(H,151,186)(H,152,187)(H,153,192)(H,154,191)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,167,168)(H,169,170)(H4,131,132,133)/t70-,73-,74+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,101-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Induction of ABCA1-mediated [3H]cholesterol efflux in mouse J774 macrophages after 4 hrs


Bioorg Med Chem 18: 8669-78 (2010)


Article DOI: 10.1016/j.bmc.2010.09.074
BindingDB Entry DOI: 10.7270/Q2H41RP3
More data for this
Ligand-Target Pair