Found 4 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Bcl-2-related protein A1
(Homo sapiens (Human)) | BDBM50210070
(CHEMBL3883565)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CNC(=O)C=C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCCC=CCCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC1=O)[C@@H](C)CC)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 |r| Show InChI InChI=1S/C120H186N34O31/c1-16-63(7)93-111(181)134-61-90(161)139-85(59-92(164)165)110(180)154-119(14,114(184)150-83(55-70-32-25-24-26-33-70)107(177)148-84(58-88(122)159)104(174)136-67(11)99(169)145-82(57-72-39-43-74(157)44-40-72)106(176)147-81(56-71-37-41-73(156)42-38-71)103(173)135-66(10)97(167)141-76(35-30-52-131-117(126)127)100(170)140-75(96(123)166)34-29-51-130-116(124)125)49-27-22-20-21-23-28-50-120(15,115(185)152-93)153-109(179)77(36-31-53-132-118(128)129)143-105(175)80(54-62(5)6)146-102(172)79(46-48-91(162)163)144-101(171)78(45-47-87(121)158)142-98(168)68(12)137-112(182)95(65(9)18-3)151-108(178)86(60-133-89(160)19-4)149-113(183)94(64(8)17-2)138-69(13)155/h19-21,24-26,32-33,37-44,62-68,75-86,93-95,156-157H,4,16-18,22-23,27-31,34-36,45-61H2,1-3,5-15H3,(H2,121,158)(H2,122,159)(H2,123,166)(H,133,160)(H,134,181)(H,135,173)(H,136,174)(H,137,182)(H,138,155)(H,139,161)(H,140,170)(H,141,167)(H,142,168)(H,143,175)(H,144,171)(H,145,169)(H,146,172)(H,147,176)(H,148,177)(H,149,183)(H,150,184)(H,151,178)(H,152,185)(H,153,179)(H,154,180)(H,162,163)(H,164,165)(H4,124,125,130)(H4,126,127,131)(H4,128,129,132)/t63-,64-,65-,66-,67-,68-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,93-,94-,95-,119-,120-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| <0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of FITC-betaA-DIIRNIARHLAQVGDSMRSI-NH2 binding to recombinant human Bcl2A1 (1 to 152 residues) BH3 binding site expressed in Escherichia c... |
ACS Med Chem Lett 8: 22-26 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00395
BindingDB Entry DOI: 10.7270/Q2NS0WWV |
More data for this
Ligand-Target Pair | |
Bcl-2-related protein A1
(Homo sapiens (Human)) | BDBM50210069
(CHEMBL3884841)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCCC=CCCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC1=O)[C@@H](C)CC)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 |r| Show InChI InChI=1S/C125H188N34O30/c1-15-66(6)98-116(185)139-64-95(165)144-92(62-97(168)169)115(184)159-124(13,119(188)155-89(57-73-32-23-22-24-33-73)112(181)153-91(61-94(127)164)109(178)141-70(10)104(173)150-88(59-75-41-45-78(162)46-42-75)111(180)152-87(58-74-39-43-77(161)44-40-74)108(177)140-69(9)102(171)146-82(37-30-54-136-122(131)132)105(174)145-81(101(128)170)36-29-53-135-121(129)130)51-27-20-18-19-21-28-52-125(14,120(189)157-98)158-114(183)83(38-31-55-137-123(133)134)148-110(179)86(56-65(4)5)151-107(176)85(48-50-96(166)167)149-106(175)84(47-49-93(126)163)147-103(172)71(11)142-117(186)100(68(8)17-3)156-113(182)90(60-76-63-138-80-35-26-25-34-79(76)80)154-118(187)99(67(7)16-2)143-72(12)160/h18-19,22-26,32-35,39-46,63,65-71,81-92,98-100,138,161-162H,15-17,20-21,27-31,36-38,47-62,64H2,1-14H3,(H2,126,163)(H2,127,164)(H2,128,170)(H,139,185)(H,140,177)(H,141,178)(H,142,186)(H,143,160)(H,144,165)(H,145,174)(H,146,171)(H,147,172)(H,148,179)(H,149,175)(H,150,173)(H,151,176)(H,152,180)(H,153,181)(H,154,187)(H,155,188)(H,156,182)(H,157,189)(H,158,183)(H,159,184)(H,166,167)(H,168,169)(H4,129,130,135)(H4,131,132,136)(H4,133,134,137)/t66-,67-,68-,69-,70-,71-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,98-,99-,100-,124-,125-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of FITC-betaA-DIIRNIARHLAQVGDSMRSI-NH2 binding to recombinant human Bcl2A1 (1 to 152 residues) BH3 binding site expressed in Escherichia c... |
ACS Med Chem Lett 8: 22-26 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00395
BindingDB Entry DOI: 10.7270/Q2NS0WWV |
More data for this
Ligand-Target Pair | |
Bcl-2-related protein A1
(Homo sapiens (Human)) | BDBM50210070
(CHEMBL3883565)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CNC(=O)C=C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCCC=CCCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC1=O)[C@@H](C)CC)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 |r| Show InChI InChI=1S/C120H186N34O31/c1-16-63(7)93-111(181)134-61-90(161)139-85(59-92(164)165)110(180)154-119(14,114(184)150-83(55-70-32-25-24-26-33-70)107(177)148-84(58-88(122)159)104(174)136-67(11)99(169)145-82(57-72-39-43-74(157)44-40-72)106(176)147-81(56-71-37-41-73(156)42-38-71)103(173)135-66(10)97(167)141-76(35-30-52-131-117(126)127)100(170)140-75(96(123)166)34-29-51-130-116(124)125)49-27-22-20-21-23-28-50-120(15,115(185)152-93)153-109(179)77(36-31-53-132-118(128)129)143-105(175)80(54-62(5)6)146-102(172)79(46-48-91(162)163)144-101(171)78(45-47-87(121)158)142-98(168)68(12)137-112(182)95(65(9)18-3)151-108(178)86(60-133-89(160)19-4)149-113(183)94(64(8)17-2)138-69(13)155/h19-21,24-26,32-33,37-44,62-68,75-86,93-95,156-157H,4,16-18,22-23,27-31,34-36,45-61H2,1-3,5-15H3,(H2,121,158)(H2,122,159)(H2,123,166)(H,133,160)(H,134,181)(H,135,173)(H,136,174)(H,137,182)(H,138,155)(H,139,161)(H,140,170)(H,141,167)(H,142,168)(H,143,175)(H,144,171)(H,145,169)(H,146,172)(H,147,176)(H,148,177)(H,149,183)(H,150,184)(H,151,178)(H,152,185)(H,153,179)(H,154,180)(H,162,163)(H,164,165)(H4,124,125,130)(H4,126,127,131)(H4,128,129,132)/t63-,64-,65-,66-,67-,68-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,93-,94-,95-,119-,120-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of FITC-betaA-DIIRNIARHLAQVGDSMRSI-NH2 binding to recombinant human Bcl2A1 (1 to 152 residues) BH3 binding site expressed in Escherichia c... |
ACS Med Chem Lett 8: 22-26 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00395
BindingDB Entry DOI: 10.7270/Q2NS0WWV |
More data for this
Ligand-Target Pair | |
Bcl-2-related protein A1
(Homo sapiens (Human)) | BDBM50210069
(CHEMBL3884841)Show SMILES CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@]1(C)CCCC=CCCC[C@](C)(NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H](NC1=O)[C@@H](C)CC)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 |r| Show InChI InChI=1S/C125H188N34O30/c1-15-66(6)98-116(185)139-64-95(165)144-92(62-97(168)169)115(184)159-124(13,119(188)155-89(57-73-32-23-22-24-33-73)112(181)153-91(61-94(127)164)109(178)141-70(10)104(173)150-88(59-75-41-45-78(162)46-42-75)111(180)152-87(58-74-39-43-77(161)44-40-74)108(177)140-69(9)102(171)146-82(37-30-54-136-122(131)132)105(174)145-81(101(128)170)36-29-53-135-121(129)130)51-27-20-18-19-21-28-52-125(14,120(189)157-98)158-114(183)83(38-31-55-137-123(133)134)148-110(179)86(56-65(4)5)151-107(176)85(48-50-96(166)167)149-106(175)84(47-49-93(126)163)147-103(172)71(11)142-117(186)100(68(8)17-3)156-113(182)90(60-76-63-138-80-35-26-25-34-79(76)80)154-118(187)99(67(7)16-2)143-72(12)160/h18-19,22-26,32-35,39-46,63,65-71,81-92,98-100,138,161-162H,15-17,20-21,27-31,36-38,47-62,64H2,1-14H3,(H2,126,163)(H2,127,164)(H2,128,170)(H,139,185)(H,140,177)(H,141,178)(H,142,186)(H,143,160)(H,144,165)(H,145,174)(H,146,171)(H,147,172)(H,148,179)(H,149,175)(H,150,173)(H,151,176)(H,152,180)(H,153,181)(H,154,187)(H,155,188)(H,156,182)(H,157,189)(H,158,183)(H,159,184)(H,166,167)(H,168,169)(H4,129,130,135)(H4,131,132,136)(H4,133,134,137)/t66-,67-,68-,69-,70-,71-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,98-,99-,100-,124-,125-/m0/s1 | PDB
MMDB
NCI pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
The University of Queensland
Curated by ChEMBL
| Assay Description
Inhibition of FITC-betaA-DIIRNIARHLAQVGDSMRSI-NH2 binding to recombinant human Bcl2A1 (1 to 152 residues) BH3 binding site expressed in Escherichia c... |
ACS Med Chem Lett 8: 22-26 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00395
BindingDB Entry DOI: 10.7270/Q2NS0WWV |
More data for this
Ligand-Target Pair | |
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