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Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Bcl2-related protein A1 (Bfl-1)'   
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
Bcl2-related protein A1 (Bfl-1)


(Homo sapiens (Human))
BDBM218788
PNG
(Ac-CATQLRRFGDKLNFRQKLLN-NH2 | hNOXA)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)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](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C108H180N36O28S/c1-54(2)43-71(139-96(163)69(35-37-81(112)148)135-105(172)86(59(10)145)144-88(155)58(9)126-104(171)79(53-173)127-60(11)146)97(164)132-65(31-22-40-122-106(116)117)90(157)130-67(33-24-42-124-108(120)121)94(161)141-75(47-61-25-14-12-15-26-61)89(156)125-52-84(151)128-78(51-85(152)153)103(170)131-64(30-19-21-39-110)93(160)138-74(46-57(7)8)100(167)143-77(50-83(114)150)102(169)142-76(48-62-27-16-13-17-28-62)101(168)133-66(32-23-41-123-107(118)119)91(158)134-68(34-36-80(111)147)95(162)129-63(29-18-20-38-109)92(159)137-73(45-56(5)6)99(166)140-72(44-55(3)4)98(165)136-70(87(115)154)49-82(113)149/h12-17,25-28,54-59,63-79,86,145,173H,18-24,29-53,109-110H2,1-11H3,(H2,111,147)(H2,112,148)(H2,113,149)(H2,114,150)(H2,115,154)(H,125,156)(H,126,171)(H,127,146)(H,128,151)(H,129,162)(H,130,157)(H,131,170)(H,132,164)(H,133,168)(H,134,158)(H,135,172)(H,136,165)(H,137,159)(H,138,160)(H,139,163)(H,140,166)(H,141,161)(H,142,169)(H,143,167)(H,144,155)(H,152,153)(H4,116,117,122)(H4,118,119,123)(H4,120,121,124)/t58-,59+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,86-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair
Bcl2-related protein A1 (Bfl-1)


(Homo sapiens (Human))
BDBM218795
PNG
(130E7 | Ac-λIAQELRRIGDEFNAYYARR-NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C(CNC(=O)CCl)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C110H171ClN36O32/c1-11-54(5)86(146-97(170)68(25-19-43-126-110(121)122)137-93(166)67(24-18-42-125-109(119)120)138-100(173)72(44-53(3)4)142-95(168)70(35-38-83(155)156)139-94(167)69(34-37-79(112)151)136-90(163)58(9)131-106(179)87(55(6)12-2)147-104(177)78(132-59(10)148)51-127-81(153)50-111)105(178)128-52-82(154)133-77(49-85(159)160)103(176)140-71(36-39-84(157)158)96(169)143-75(45-60-20-14-13-15-21-60)102(175)145-76(48-80(113)152)99(172)130-57(8)91(164)141-74(47-62-28-32-64(150)33-29-62)101(174)144-73(46-61-26-30-63(149)31-27-61)98(171)129-56(7)89(162)135-66(23-17-41-124-108(117)118)92(165)134-65(88(114)161)22-16-40-123-107(115)116/h13-15,20-21,26-33,53-58,65-78,86-87,149-150H,11-12,16-19,22-25,34-52H2,1-10H3,(H2,112,151)(H2,113,152)(H2,114,161)(H,127,153)(H,128,178)(H,129,171)(H,130,172)(H,131,179)(H,132,148)(H,133,154)(H,134,165)(H,135,162)(H,136,163)(H,137,166)(H,138,173)(H,139,167)(H,140,176)(H,141,164)(H,142,168)(H,143,169)(H,144,174)(H,145,175)(H,146,170)(H,147,177)(H,155,156)(H,157,158)(H,159,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t54-,55-,56-,57-,58-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78?,86-,87-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.70n/an/an/an/an/an/a



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair
Bcl2-related protein A1 (Bfl-1)


(Homo sapiens (Human))
BDBM218796
PNG
(130D11 | Ac-λAQELR(Xi)IGD(Xi+4)FNAYYARR-NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@](C)(CCCC=C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)C(CNC(=O)CCl)NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@](C)(CCCC=C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C109H167ClN32O29/c1-13-16-21-43-108(11,103(170)139-76(49-63-26-19-18-20-27-63)98(165)138-77(52-81(112)147)95(162)126-61(9)90(157)135-75(51-65-33-37-67(145)38-34-65)97(164)137-74(50-64-31-35-66(144)36-32-64)94(161)125-59(7)88(155)131-69(29-24-46-121-106(116)117)91(158)130-68(87(113)154)28-23-45-120-105(114)115)142-101(168)78(53-85(152)153)129-83(149)56-124-102(169)86(58(6)15-3)140-104(171)109(12,44-22-17-14-2)141-100(167)70(30-25-47-122-107(118)119)133-96(163)73(48-57(4)5)136-93(160)72(40-42-84(150)151)134-92(159)71(39-41-80(111)146)132-89(156)60(8)127-99(166)79(128-62(10)143)55-123-82(148)54-110/h13-14,18-20,26-27,31-38,57-61,68-79,86,144-145H,1-2,15-17,21-25,28-30,39-56H2,3-12H3,(H2,111,146)(H2,112,147)(H2,113,154)(H,123,148)(H,124,169)(H,125,161)(H,126,162)(H,127,166)(H,128,143)(H,129,149)(H,130,158)(H,131,155)(H,132,156)(H,133,163)(H,134,159)(H,135,157)(H,136,160)(H,137,164)(H,138,165)(H,139,170)(H,140,171)(H,141,167)(H,142,168)(H,150,151)(H,152,153)(H4,114,115,120)(H4,116,117,121)(H4,118,119,122)/t58-,59-,60-,61-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79?,86-,108-,109-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 13.9n/an/an/an/an/an/a



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair
Bcl2-related protein A1 (Bfl-1)


(Homo sapiens (Human))
BDBM218791
PNG
(Ac-CATQLRRFGDKLN-NH2 | hNOXAs)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C66H111N23O19S/c1-32(2)25-43(87-59(103)41(20-21-48(68)92)84-64(108)52(35(6)90)89-54(98)34(5)78-63(107)47(31-109)79-36(7)91)60(104)83-39(18-13-23-75-65(71)72)56(100)81-40(19-14-24-76-66(73)74)58(102)88-45(27-37-15-9-8-10-16-37)55(99)77-30-50(94)80-46(29-51(95)96)62(106)82-38(17-11-12-22-67)57(101)86-44(26-33(3)4)61(105)85-42(53(70)97)28-49(69)93/h8-10,15-16,32-35,38-47,52,90,109H,11-14,17-31,67H2,1-7H3,(H2,68,92)(H2,69,93)(H2,70,97)(H,77,99)(H,78,107)(H,79,91)(H,80,94)(H,81,100)(H,82,106)(H,83,104)(H,84,108)(H,85,105)(H,86,101)(H,87,103)(H,88,102)(H,89,98)(H,95,96)(H4,71,72,75)(H4,73,74,76)/t34-,35+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair
Bcl2-related protein A1 (Bfl-1)


(Homo sapiens (Human))
BDBM218789
PNG
(Ac-hCATQLRRFGDKLNFRQKLLN-NH2 | homo_hNOXA)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCS)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)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](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C109H182N36O28S/c1-55(2)45-73(140-98(165)70(35-37-82(113)149)136-106(173)87(60(10)146)145-89(156)59(9)127-91(158)71(38-44-174)128-61(11)147)99(166)133-66(31-22-41-123-107(117)118)92(159)131-68(33-24-43-125-109(121)122)96(163)142-77(49-62-25-14-12-15-26-62)90(157)126-54-85(152)129-80(53-86(153)154)105(172)132-65(30-19-21-40-111)95(162)139-76(48-58(7)8)102(169)144-79(52-84(115)151)104(171)143-78(50-63-27-16-13-17-28-63)103(170)134-67(32-23-42-124-108(119)120)93(160)135-69(34-36-81(112)148)97(164)130-64(29-18-20-39-110)94(161)138-75(47-57(5)6)101(168)141-74(46-56(3)4)100(167)137-72(88(116)155)51-83(114)150/h12-17,25-28,55-60,64-80,87,146,174H,18-24,29-54,110-111H2,1-11H3,(H2,112,148)(H2,113,149)(H2,114,150)(H2,115,151)(H2,116,155)(H,126,157)(H,127,158)(H,128,147)(H,129,152)(H,130,164)(H,131,159)(H,132,172)(H,133,166)(H,134,170)(H,135,160)(H,136,173)(H,137,167)(H,138,161)(H,139,162)(H,140,165)(H,141,168)(H,142,163)(H,143,171)(H,144,169)(H,145,156)(H,153,154)(H4,117,118,123)(H4,119,120,124)(H4,121,122,125)/t59-,60+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,87-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 83n/an/an/an/an/an/a



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair
Bcl2-related protein A1 (Bfl-1)


(Homo sapiens (Human))
BDBM218790
PNG
(λ_hNOXA | Ac-λATQLRRFGDKLNFRQKLLN-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)C(CNC(=O)CCl)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)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](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C110H182ClN37O29/c1-55(2)43-72(143-98(168)70(35-37-82(115)152)139-107(177)88(60(10)149)148-90(160)59(9)130-106(176)80(131-61(11)150)53-128-85(155)52-111)99(169)136-66(31-22-40-125-108(119)120)92(162)134-68(33-24-42-127-110(123)124)96(166)145-76(47-62-25-14-12-15-26-62)91(161)129-54-86(156)132-79(51-87(157)158)105(175)135-65(30-19-21-39-113)95(165)142-75(46-58(7)8)102(172)147-78(50-84(117)154)104(174)146-77(48-63-27-16-13-17-28-63)103(173)137-67(32-23-41-126-109(121)122)93(163)138-69(34-36-81(114)151)97(167)133-64(29-18-20-38-112)94(164)141-74(45-57(5)6)101(171)144-73(44-56(3)4)100(170)140-71(89(118)159)49-83(116)153/h12-17,25-28,55-60,64-80,88,149H,18-24,29-54,112-113H2,1-11H3,(H2,114,151)(H2,115,152)(H2,116,153)(H2,117,154)(H2,118,159)(H,128,155)(H,129,161)(H,130,176)(H,131,150)(H,132,156)(H,133,167)(H,134,162)(H,135,175)(H,136,169)(H,137,173)(H,138,163)(H,139,177)(H,140,170)(H,141,164)(H,142,165)(H,143,168)(H,144,171)(H,145,166)(H,146,174)(H,147,172)(H,148,160)(H,157,158)(H4,119,120,125)(H4,121,122,126)(H4,123,124,127)/t59-,60+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80?,88-/m0/s1
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 287n/an/an/an/an/an/a



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair
Bcl2-related protein A1 (Bfl-1)


(Homo sapiens (Human))
BDBM218793
PNG
(Ac-PADLKDECAQLRRIGDKVNL-NH2 | NOXA B)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(N)=O
Show InChI InChI=1S/C97H167N31O31S/c1-14-49(10)76(94(158)109-43-70(132)112-63(40-72(135)136)89(153)116-54(23-16-18-32-99)84(148)126-75(48(8)9)95(159)124-62(39-69(101)131)88(152)119-59(77(102)141)36-45(2)3)127-85(149)56(25-20-34-108-97(105)106)114-80(144)55(24-19-33-107-96(103)104)117-86(150)60(37-46(4)5)121-82(146)57(27-29-68(100)130)113-78(142)50(11)110-92(156)66(44-160)125-83(147)58(28-30-71(133)134)118-90(154)65(42-74(139)140)123-81(145)53(22-15-17-31-98)115-87(151)61(38-47(6)7)122-91(155)64(41-73(137)138)120-79(143)51(12)111-93(157)67-26-21-35-128(67)52(13)129/h45-51,53-67,75-76,160H,14-44,98-99H2,1-13H3,(H2,100,130)(H2,101,131)(H2,102,141)(H,109,158)(H,110,156)(H,111,157)(H,112,132)(H,113,142)(H,114,144)(H,115,151)(H,116,153)(H,117,150)(H,118,154)(H,119,152)(H,120,143)(H,121,146)(H,122,155)(H,123,145)(H,124,159)(H,125,147)(H,126,148)(H,127,149)(H,133,134)(H,135,136)(H,137,138)(H,139,140)(H4,103,104,107)(H4,105,106,108)/t49-,50-,51-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,75-,76-/m0/s1
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UniChem
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n/an/a 431n/an/an/an/an/an/a



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair
Bcl2-related protein A1 (Bfl-1)


(Homo sapiens (Human))
BDBM218792
PNG
(Ac-AELPPEFAAQLRKIGDKVYC-NH2 | NOXA A)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(C)=O)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CS)C(N)=O
Show InChI InChI=1S/C104H165N27O29S/c1-13-56(8)84(100(157)112-51-79(135)116-73(50-82(140)141)98(155)120-64(26-17-19-41-105)93(150)128-83(55(6)7)101(158)125-72(49-62-31-33-63(133)34-32-62)97(154)127-75(52-161)85(108)142)129-94(151)65(27-18-20-42-106)119-89(146)66(28-21-43-111-104(109)110)121-96(153)70(46-53(2)3)123-90(147)67(35-38-78(107)134)117-88(145)59(11)114-86(143)58(10)115-95(152)71(48-61-24-15-14-16-25-61)124-91(148)69(37-40-81(138)139)122-99(156)76-29-22-44-130(76)103(160)77-30-23-45-131(77)102(159)74(47-54(4)5)126-92(149)68(36-39-80(136)137)118-87(144)57(9)113-60(12)132/h14-16,24-25,31-34,53-59,64-77,83-84,133,161H,13,17-23,26-30,35-52,105-106H2,1-12H3,(H2,107,134)(H2,108,142)(H,112,157)(H,113,132)(H,114,143)(H,115,152)(H,116,135)(H,117,145)(H,118,144)(H,119,146)(H,120,155)(H,121,153)(H,122,156)(H,123,147)(H,124,148)(H,125,158)(H,126,149)(H,127,154)(H,128,150)(H,129,151)(H,136,137)(H,138,139)(H,140,141)(H4,109,110,111)/t56-,57-,58-,59-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,83-,84-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair
Bcl2-related protein A1 (Bfl-1)


(Homo sapiens (Human))
BDBM60828
PNG
(ABT-199 | BDBM189459 | US9174982, 369)
Show SMILES CC1(C)CCC(CN2CCN(CC2)c2ccc(C(=O)NS(=O)(=O)c3ccc(NCC4CCOCC4)c(c3)[N+]([O-])=O)c(Oc3cnc4[nH]ccc4c3)c2)=C(C1)c1ccc(Cl)cc1
Show InChI InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair
Bcl2-related protein A1 (Bfl-1)


(Homo sapiens (Human))
BDBM218794
PNG
(Ac-AATQLRRFGDKLN-NH2 | C1A_hNOXAs)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(N)=O
Show InChI InChI=1S/C66H111N23O19/c1-32(2)26-44(87-60(104)42(21-22-48(68)92)84-64(108)52(36(7)90)89-55(99)35(6)79-54(98)34(5)78-37(8)91)61(105)83-40(19-14-24-75-65(71)72)57(101)81-41(20-15-25-76-66(73)74)59(103)88-46(28-38-16-10-9-11-17-38)56(100)77-31-50(94)80-47(30-51(95)96)63(107)82-39(18-12-13-23-67)58(102)86-45(27-33(3)4)62(106)85-43(53(70)97)29-49(69)93/h9-11,16-17,32-36,39-47,52,90H,12-15,18-31,67H2,1-8H3,(H2,68,92)(H2,69,93)(H2,70,97)(H,77,100)(H,78,91)(H,79,98)(H,80,94)(H,81,101)(H,82,107)(H,83,105)(H,84,108)(H,85,106)(H,86,102)(H,87,104)(H,88,103)(H,89,99)(H,95,96)(H4,71,72,75)(H4,73,74,76)/t34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair
Bcl2-related protein A1 (Bfl-1)


(Homo sapiens (Human))
BDBM218795
PNG
(130E7 | Ac-λIAQELRRIGDEFNAYYARR-NH2)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)C(CNC(=O)CCl)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C110H171ClN36O32/c1-11-54(5)86(146-97(170)68(25-19-43-126-110(121)122)137-93(166)67(24-18-42-125-109(119)120)138-100(173)72(44-53(3)4)142-95(168)70(35-38-83(155)156)139-94(167)69(34-37-79(112)151)136-90(163)58(9)131-106(179)87(55(6)12-2)147-104(177)78(132-59(10)148)51-127-81(153)50-111)105(178)128-52-82(154)133-77(49-85(159)160)103(176)140-71(36-39-84(157)158)96(169)143-75(45-60-20-14-13-15-21-60)102(175)145-76(48-80(113)152)99(172)130-57(8)91(164)141-74(47-62-28-32-64(150)33-29-62)101(174)144-73(46-61-26-30-63(149)31-27-61)98(171)129-56(7)89(162)135-66(23-17-41-124-108(117)118)92(165)134-65(88(114)161)22-16-40-123-107(115)116/h13-15,20-21,26-33,53-58,65-78,86-87,149-150H,11-12,16-19,22-25,34-52H2,1-10H3,(H2,112,151)(H2,113,152)(H2,114,161)(H,127,153)(H,128,178)(H,129,171)(H,130,172)(H,131,179)(H,132,148)(H,133,154)(H,134,165)(H,135,162)(H,136,163)(H,137,166)(H,138,173)(H,139,167)(H,140,176)(H,141,164)(H,142,168)(H,143,169)(H,144,174)(H,145,175)(H,146,170)(H,147,177)(H,155,156)(H,157,158)(H,159,160)(H4,115,116,123)(H4,117,118,124)(H4,119,120,125)(H4,121,122,126)/t54-,55-,56-,57-,58-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78?,86-,87-/m0/s1
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n/an/an/a 2.60n/an/an/a7.425



University of California, Riverside



Assay Description
One hundred microliters of a 600 ng/mL solution of biotin-BID (Biotin-lc-EDIIRNIARHLAQVGDSMDR-NH2, where lc indicates a hydrocarbon chain of six meth...


ACS Chem Biol 12: 444-455 (2017)


Article DOI: 10.1021/acschembio.6b00962
BindingDB Entry DOI: 10.7270/Q2P26WZ3
More data for this
Ligand-Target Pair