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Compile Data Set for Download or QSAR

Found 234 hits Enz. Inhib. hit(s) with Target = 'DNA repair protein RAD51 homolog 1' 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
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50416570
PNG
(CHEMBL1215819)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=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](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C127H201N31O35/c1-11-72(8)104(157-114(179)85(44-26-32-56-133)145-124(189)103(71(6)7)155-112(177)83(42-24-30-54-131)140-108(173)80(39-21-27-51-128)138-99(166)65-136-107(172)94(66-159)152-106(171)73(9)137-126(191)105(74(10)162)158-120(185)90(60-78-45-47-79(163)48-46-78)148-116(181)88(139-98(165)64-134)58-75-33-15-12-16-34-75)125(190)154-96(68-161)121(186)142-81(40-22-28-52-129)109(174)143-86(49-50-100(167)168)111(176)153-95(67-160)122(187)146-87(57-69(2)3)115(180)150-92(63-101(169)170)119(184)141-84(43-25-31-55-132)113(178)156-102(70(4)5)123(188)144-82(41-23-29-53-130)110(175)149-91(62-97(135)164)118(183)147-89(59-76-35-17-13-18-36-76)117(182)151-93(127(192)193)61-77-37-19-14-20-38-77/h12-20,33-38,45-48,69-74,80-96,102-105,159-163H,11,21-32,39-44,49-68,128-134H2,1-10H3,(H2,135,164)(H,136,172)(H,137,191)(H,138,166)(H,139,165)(H,140,173)(H,141,184)(H,142,186)(H,143,174)(H,144,188)(H,145,189)(H,146,187)(H,147,183)(H,148,181)(H,149,175)(H,150,180)(H,151,182)(H,152,171)(H,153,176)(H,154,190)(H,155,177)(H,156,178)(H,157,179)(H,158,185)(H,167,168)(H,169,170)(H,192,193)/t72-,73-,74+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,102-,103-,104-,105-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
750n/an/an/an/an/an/an/an/a



Centre National de la Recherche Scientifique& Universite de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 assessed as concentration required for half dissociation of protein/single-stranded DNA complex formation by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50416568
PNG
(CHEMBL1215817)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=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](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C121H201N33O34/c1-13-68(10)98(153-108(174)79(41-25-31-49-127)141-118(184)97(67(8)9)151-106(172)77(39-23-29-47-125)136-102(168)74(36-20-26-44-122)134-93(161)59-131-101(167)88(60-155)148-100(166)69(11)133-120(186)99(70(12)158)154-114(180)84(54-73-58-130-63-132-73)144-111(177)83(135-92(160)57-128)52-71-32-16-14-17-33-71)119(185)150-90(62-157)115(181)138-75(37-21-27-45-123)103(169)139-80(42-43-94(162)163)105(171)149-89(61-156)116(182)143-81(50-64(2)3)109(175)146-86(56-95(164)165)113(179)137-78(40-24-30-48-126)107(173)152-96(66(6)7)117(183)140-76(38-22-28-46-124)104(170)145-85(55-91(129)159)112(178)142-82(51-65(4)5)110(176)147-87(121(187)188)53-72-34-18-15-19-35-72/h14-19,32-35,58,63-70,74-90,96-99,155-158H,13,20-31,36-57,59-62,122-128H2,1-12H3,(H2,129,159)(H,130,132)(H,131,167)(H,133,186)(H,134,161)(H,135,160)(H,136,168)(H,137,179)(H,138,181)(H,139,169)(H,140,183)(H,141,184)(H,142,178)(H,143,182)(H,144,177)(H,145,170)(H,146,175)(H,147,176)(H,148,166)(H,149,171)(H,150,185)(H,151,172)(H,152,173)(H,153,174)(H,154,180)(H,162,163)(H,164,165)(H,187,188)/t68-,69-,70+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,96-,97-,98-,99-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.80E+3n/an/an/an/an/an/an/an/a



Centre National de la Recherche Scientifique& Universite de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 assessed as concentration required for half dissociation of protein/single-stranded DNA complex formation by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50416569
PNG
(CHEMBL1215818)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=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](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C124H199N33O33/c1-12-70(8)101(156-112(177)83(45-27-33-53-130)145-121(186)100(69(6)7)154-110(175)81(43-25-31-51-128)141-106(171)78(40-22-28-48-125)138-96(163)63-134-105(170)92(64-158)152-104(169)72(10)137-123(188)102(73(11)160)157-118(183)88(58-77-62-133-66-135-77)148-114(179)86(139-95(162)61-131)55-74-34-16-13-17-35-74)122(187)136-71(9)103(168)140-79(41-23-29-49-126)107(172)143-84(46-47-97(164)165)109(174)153-93(65-159)119(184)146-85(54-67(2)3)113(178)150-90(60-98(166)167)117(182)142-82(44-26-32-52-129)111(176)155-99(68(4)5)120(185)144-80(42-24-30-50-127)108(173)149-89(59-94(132)161)116(181)147-87(56-75-36-18-14-19-37-75)115(180)151-91(124(189)190)57-76-38-20-15-21-39-76/h13-21,34-39,62,66-73,78-93,99-102,158-160H,12,22-33,40-61,63-65,125-131H2,1-11H3,(H2,132,161)(H,133,135)(H,134,170)(H,136,187)(H,137,188)(H,138,163)(H,139,162)(H,140,168)(H,141,171)(H,142,182)(H,143,172)(H,144,185)(H,145,186)(H,146,184)(H,147,181)(H,148,179)(H,149,173)(H,150,178)(H,151,180)(H,152,169)(H,153,174)(H,154,175)(H,155,176)(H,156,177)(H,157,183)(H,164,165)(H,166,167)(H,189,190)/t70-,71-,72-,73+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,99-,100-,101-,102-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
4.20E+3n/an/an/an/an/an/an/an/a



Centre National de la Recherche Scientifique& Universite de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 assessed as concentration required for half dissociation of protein/single-stranded DNA complex formation by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50416566
PNG
(CHEMBL1215815)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=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](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C124H203N31O34/c1-14-70(10)101(154-112(176)83(42-26-32-54-130)143-121(185)100(69(8)9)152-110(174)81(40-24-30-52-128)139-106(170)78(37-21-27-49-125)136-96(162)63-133-105(169)92(64-156)150-104(168)72(12)135-123(187)102(73(13)158)155-118(182)88(58-76-43-45-77(159)46-44-76)146-115(179)87(137-95(161)62-131)57-74-33-17-15-18-34-74)122(186)134-71(11)103(167)138-79(38-22-28-50-126)107(171)141-84(47-48-97(163)164)109(173)151-93(65-157)119(183)145-85(55-66(2)3)113(177)148-90(61-98(165)166)117(181)140-82(41-25-31-53-129)111(175)153-99(68(6)7)120(184)142-80(39-23-29-51-127)108(172)147-89(60-94(132)160)116(180)144-86(56-67(4)5)114(178)149-91(124(188)189)59-75-35-19-16-20-36-75/h15-20,33-36,43-46,66-73,78-93,99-102,156-159H,14,21-32,37-42,47-65,125-131H2,1-13H3,(H2,132,160)(H,133,169)(H,134,186)(H,135,187)(H,136,162)(H,137,161)(H,138,167)(H,139,170)(H,140,181)(H,141,171)(H,142,184)(H,143,185)(H,144,180)(H,145,183)(H,146,179)(H,147,172)(H,148,177)(H,149,178)(H,150,168)(H,151,173)(H,152,174)(H,153,175)(H,154,176)(H,155,182)(H,163,164)(H,165,166)(H,188,189)/t70-,71-,72-,73+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,99-,100-,101-,102-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
6.00E+3n/an/an/an/an/an/an/an/a



Centre National de la Recherche Scientifique& Universite de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 assessed as concentration required for half dissociation of protein/single-stranded DNA complex formation by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50416564
PNG
(CHEMBL1215813)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=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](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C121H201N33O33/c1-14-68(10)98(153-109(174)80(42-26-32-50-127)142-118(183)97(67(8)9)151-107(172)78(40-24-30-48-125)138-103(168)75(37-21-27-45-122)135-93(160)60-131-102(167)89(61-155)149-101(166)70(12)134-120(185)99(71(13)157)154-115(180)85(55-74-59-130-63-132-74)145-112(177)84(136-92(159)58-128)53-72-33-17-15-18-34-72)119(184)133-69(11)100(165)137-76(38-22-28-46-123)104(169)140-81(43-44-94(161)162)106(171)150-90(62-156)116(181)144-82(51-64(2)3)110(175)147-87(57-95(163)164)114(179)139-79(41-25-31-49-126)108(173)152-96(66(6)7)117(182)141-77(39-23-29-47-124)105(170)146-86(56-91(129)158)113(178)143-83(52-65(4)5)111(176)148-88(121(186)187)54-73-35-19-16-20-36-73/h15-20,33-36,59,63-71,75-90,96-99,155-157H,14,21-32,37-58,60-62,122-128H2,1-13H3,(H2,129,158)(H,130,132)(H,131,167)(H,133,184)(H,134,185)(H,135,160)(H,136,159)(H,137,165)(H,138,168)(H,139,179)(H,140,169)(H,141,182)(H,142,183)(H,143,178)(H,144,181)(H,145,177)(H,146,170)(H,147,175)(H,148,176)(H,149,166)(H,150,171)(H,151,172)(H,152,173)(H,153,174)(H,154,180)(H,161,162)(H,163,164)(H,186,187)/t68-,69-,70-,71+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,96-,97-,98-,99-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
1.00E+4n/an/an/an/an/an/an/an/a



Centre National de la Recherche Scientifique& Universite de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 assessed as concentration required for half dissociation of protein/single-stranded DNA complex formation by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50416567
PNG
(CHEMBL1215816)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=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](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C121H201N33O34/c1-13-68(10)98(153-108(174)79(41-25-31-49-127)141-118(184)97(67(8)9)151-106(172)77(39-23-29-47-125)137-102(168)74(36-20-26-44-122)134-93(161)59-131-101(167)88(60-155)148-116(182)90(62-157)150-120(186)99(70(12)158)154-114(180)84(54-73-58-130-63-132-73)144-111(177)83(135-92(160)57-128)52-71-32-16-14-17-33-71)119(185)133-69(11)100(166)136-75(37-21-27-45-123)103(169)139-80(42-43-94(162)163)105(171)149-89(61-156)115(181)143-81(50-64(2)3)109(175)146-86(56-95(164)165)113(179)138-78(40-24-30-48-126)107(173)152-96(66(6)7)117(183)140-76(38-22-28-46-124)104(170)145-85(55-91(129)159)112(178)142-82(51-65(4)5)110(176)147-87(121(187)188)53-72-34-18-15-19-35-72/h14-19,32-35,58,63-70,74-90,96-99,155-158H,13,20-31,36-57,59-62,122-128H2,1-12H3,(H2,129,159)(H,130,132)(H,131,167)(H,133,185)(H,134,161)(H,135,160)(H,136,166)(H,137,168)(H,138,179)(H,139,169)(H,140,183)(H,141,184)(H,142,178)(H,143,181)(H,144,177)(H,145,170)(H,146,175)(H,147,176)(H,148,182)(H,149,171)(H,150,186)(H,151,172)(H,152,173)(H,153,174)(H,154,180)(H,162,163)(H,164,165)(H,187,188)/t68-,69-,70+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,96-,97-,98-,99-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Centre National de la Recherche Scientifique& Universite de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 assessed as concentration required for half dissociation of protein/single-stranded DNA complex formation by fluorescence p...


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM33024
PNG
(MLS000697664 | Punicalin | SMR000445568 | cid_5388...)
Show SMILES OC1OC2COC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c4oc(=O)c5c(c(O)c(O)c6oc(=O)c3c4c56)-c3c(O)c(O)c(O)cc3C(=O)OC2C(O)C1O
Show InChI InChI=1S/C34H22O22/c35-6-1-4-9(19(39)17(6)37)11-15-13-14-16(33(50)56-28(13)23(43)21(11)41)12(22(42)24(44)29(14)55-32(15)49)10-5(2-7(36)18(38)20(10)40)31(48)54-27-8(3-52-30(4)47)53-34(51)26(46)25(27)45/h1-2,8,25-27,34-46,51H,3H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
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n/an/a 176n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50424496
PNG
(CHEMBL2316725)
Show SMILES Clc1ccc(cc1Cl)N1C(=O)C(I)=C(N2CCOCC2)C1=O
Show InChI InChI=1S/C14H11Cl2IN2O3/c15-9-2-1-8(7-10(9)16)19-13(20)11(17)12(14(19)21)18-3-5-22-6-4-18/h1-2,7H,3-6H2
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n/an/a 250n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 binding to single stranded DNA by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50424497
PNG
(CHEMBL2316724)
Show SMILES Clc1ccc(cc1Cl)N1C(=O)C(Br)=C(N2CCOCC2)C1=O
Show InChI InChI=1S/C14H11BrCl2N2O3/c15-11-12(18-3-5-22-6-4-18)14(21)19(13(11)20)8-1-2-9(16)10(17)7-8/h1-2,7H,3-6H2
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n/an/a 370n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 binding to single stranded DNA by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50424498
PNG
(CHEMBL2316723)
Show SMILES FC(F)(F)c1ccc(cc1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H7Cl3F3NO2/c18-11-6-5-10(7-12(11)19)24-15(25)13(14(20)16(24)26)8-1-3-9(4-2-8)17(21,22)23/h1-7H
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n/an/a 810n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 binding to single stranded DNA by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50424499
PNG
(CHEMBL2316722)
Show SMILES ClC1=C(C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1)c1ccccc1
Show InChI InChI=1S/C16H8Cl3NO2/c17-11-7-6-10(8-12(11)18)20-15(21)13(14(19)16(20)22)9-4-2-1-3-5-9/h1-8H
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n/an/a 930n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 binding to single stranded DNA by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50416570
PNG
(CHEMBL1215819)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=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](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C127H201N31O35/c1-11-72(8)104(157-114(179)85(44-26-32-56-133)145-124(189)103(71(6)7)155-112(177)83(42-24-30-54-131)140-108(173)80(39-21-27-51-128)138-99(166)65-136-107(172)94(66-159)152-106(171)73(9)137-126(191)105(74(10)162)158-120(185)90(60-78-45-47-79(163)48-46-78)148-116(181)88(139-98(165)64-134)58-75-33-15-12-16-34-75)125(190)154-96(68-161)121(186)142-81(40-22-28-52-129)109(174)143-86(49-50-100(167)168)111(176)153-95(67-160)122(187)146-87(57-69(2)3)115(180)150-92(63-101(169)170)119(184)141-84(43-25-31-55-132)113(178)156-102(70(4)5)123(188)144-82(41-23-29-53-130)110(175)149-91(62-97(135)164)118(183)147-89(59-76-35-17-13-18-36-76)117(182)151-93(127(192)193)61-77-37-19-14-20-38-77/h12-20,33-38,45-48,69-74,80-96,102-105,159-163H,11,21-32,39-44,49-68,128-134H2,1-10H3,(H2,135,164)(H,136,172)(H,137,191)(H,138,166)(H,139,165)(H,140,173)(H,141,184)(H,142,186)(H,143,174)(H,144,188)(H,145,189)(H,146,187)(H,147,183)(H,148,181)(H,149,175)(H,150,180)(H,151,182)(H,152,171)(H,153,176)(H,154,190)(H,155,177)(H,156,178)(H,157,179)(H,158,185)(H,167,168)(H,169,170)(H,192,193)/t72-,73-,74+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,102-,103-,104-,105-/m0/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique& Universite de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 assessed as dissociation of protein/single-stranded oligo(AGT)12 complex formation by fluorescence polarimetry


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM51319
PNG
(2-(7-benzyl-2,6-diketo-3-methyl-8-piperidino-purin...)
Show SMILES CCOC(=O)Cn1c(=O)n(C)c2nc(N3CCCCC3)n(Cc3ccccc3)c2c1=O
Show InChI InChI=1S/C22H27N5O4/c1-3-31-17(28)15-27-20(29)18-19(24(2)22(27)30)23-21(25-12-8-5-9-13-25)26(18)14-16-10-6-4-7-11-16/h4,6-7,10-11H,3,5,8-9,12-15H2,1-2H3
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n/an/a 1.40E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50424500
PNG
(CHEMBL2316721)
Show SMILES Nc1ccc(cc1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C16H9Cl3N2O2/c17-11-6-5-10(7-12(11)18)21-15(22)13(14(19)16(21)23)8-1-3-9(20)4-2-8/h1-7H,20H2
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 binding to single stranded DNA by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50416570
PNG
(CHEMBL1215819)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=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](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C127H201N31O35/c1-11-72(8)104(157-114(179)85(44-26-32-56-133)145-124(189)103(71(6)7)155-112(177)83(42-24-30-54-131)140-108(173)80(39-21-27-51-128)138-99(166)65-136-107(172)94(66-159)152-106(171)73(9)137-126(191)105(74(10)162)158-120(185)90(60-78-45-47-79(163)48-46-78)148-116(181)88(139-98(165)64-134)58-75-33-15-12-16-34-75)125(190)154-96(68-161)121(186)142-81(40-22-28-52-129)109(174)143-86(49-50-100(167)168)111(176)153-95(67-160)122(187)146-87(57-69(2)3)115(180)150-92(63-101(169)170)119(184)141-84(43-25-31-55-132)113(178)156-102(70(4)5)123(188)144-82(41-23-29-53-130)110(175)149-91(62-97(135)164)118(183)147-89(59-76-35-17-13-18-36-76)117(182)151-93(127(192)193)61-77-37-19-14-20-38-77/h12-20,33-38,45-48,69-74,80-96,102-105,159-163H,11,21-32,39-44,49-68,128-134H2,1-10H3,(H2,135,164)(H,136,172)(H,137,191)(H,138,166)(H,139,165)(H,140,173)(H,141,184)(H,142,186)(H,143,174)(H,144,188)(H,145,189)(H,146,187)(H,147,183)(H,148,181)(H,149,175)(H,150,180)(H,151,182)(H,152,171)(H,153,176)(H,154,190)(H,155,177)(H,156,178)(H,157,179)(H,158,185)(H,167,168)(H,169,170)(H,192,193)/t72-,73-,74+,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,102-,103-,104-,105-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique& Universite de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 assessed as dissociation of protein/single-stranded poly-(d-epsilonA) complex formation by fluorescence polarimetry


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50416568
PNG
(CHEMBL1215817)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=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](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C121H201N33O34/c1-13-68(10)98(153-108(174)79(41-25-31-49-127)141-118(184)97(67(8)9)151-106(172)77(39-23-29-47-125)136-102(168)74(36-20-26-44-122)134-93(161)59-131-101(167)88(60-155)148-100(166)69(11)133-120(186)99(70(12)158)154-114(180)84(54-73-58-130-63-132-73)144-111(177)83(135-92(160)57-128)52-71-32-16-14-17-33-71)119(185)150-90(62-157)115(181)138-75(37-21-27-45-123)103(169)139-80(42-43-94(162)163)105(171)149-89(61-156)116(182)143-81(50-64(2)3)109(175)146-86(56-95(164)165)113(179)137-78(40-24-30-48-126)107(173)152-96(66(6)7)117(183)140-76(38-22-28-46-124)104(170)145-85(55-91(129)159)112(178)142-82(51-65(4)5)110(176)147-87(121(187)188)53-72-34-18-15-19-35-72/h14-19,32-35,58,63-70,74-90,96-99,155-158H,13,20-31,36-57,59-62,122-128H2,1-12H3,(H2,129,159)(H,130,132)(H,131,167)(H,133,186)(H,134,161)(H,135,160)(H,136,168)(H,137,179)(H,138,181)(H,139,169)(H,140,183)(H,141,184)(H,142,178)(H,143,182)(H,144,177)(H,145,170)(H,146,175)(H,147,176)(H,148,166)(H,149,171)(H,150,185)(H,151,172)(H,152,173)(H,153,174)(H,154,180)(H,162,163)(H,164,165)(H,187,188)/t68-,69-,70+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,96-,97-,98-,99-/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique& Universite de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 assessed as dissociation of protein/single-stranded oligo(AGT)12 complex formation by fluorescence polarimetry


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50416561
PNG
(CHEMBL1215810)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=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](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C142H235N37O41/c1-18-79(14)115(178-128(205)92(46-30-36-56-148)164-139(216)114(78(12)13)176-126(203)90(44-28-34-54-146)160-122(199)87(41-25-31-51-143)157-107(184)68-153-121(198)104(70-180)174-118(195)81(16)156-141(218)116(82(17)182)179-136(213)100(63-85-67-151-72-154-85)170-131(208)98(61-83-37-21-19-22-38-83)158-108(185)69-152-120(197)95(58-74(4)5)166-119(196)86(149)57-73(2)3)140(217)155-80(15)117(194)159-88(42-26-32-52-144)123(200)162-93(47-49-109(186)187)125(202)175-105(71-181)137(214)168-97(60-76(8)9)130(207)172-102(65-111(190)191)134(211)161-91(45-29-35-55-147)127(204)177-113(77(10)11)138(215)163-89(43-27-33-53-145)124(201)171-101(64-106(150)183)133(210)167-96(59-75(6)7)129(206)169-99(62-84-39-23-20-24-40-84)132(209)173-103(66-112(192)193)135(212)165-94(142(219)220)48-50-110(188)189/h19-24,37-40,67,72-82,86-105,113-116,180-182H,18,25-36,41-66,68-71,143-149H2,1-17H3,(H2,150,183)(H,151,154)(H,152,197)(H,153,198)(H,155,217)(H,156,218)(H,157,184)(H,158,185)(H,159,194)(H,160,199)(H,161,211)(H,162,200)(H,163,215)(H,164,216)(H,165,212)(H,166,196)(H,167,210)(H,168,214)(H,169,206)(H,170,208)(H,171,201)(H,172,207)(H,173,209)(H,174,195)(H,175,202)(H,176,203)(H,177,204)(H,178,205)(H,179,213)(H,186,187)(H,188,189)(H,190,191)(H,192,193)(H,219,220)/t79-,80-,81-,82+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,113-,114-,115-,116-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique& Universite de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 assessed as dissociation of protein/single-stranded DNA complex formation by fluorescence polarimetry


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50424501
PNG
(CHEMBL2316720)
Show SMILES COc1ccc(cc1OC)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H12Cl3NO4/c1-25-13-6-3-9(7-14(13)26-2)15-16(21)18(24)22(17(15)23)10-4-5-11(19)12(20)8-10/h3-8H,1-2H3
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n/an/a 2.14E+3n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 binding to single stranded DNA by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50416568
PNG
(CHEMBL1215817)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=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](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C121H201N33O34/c1-13-68(10)98(153-108(174)79(41-25-31-49-127)141-118(184)97(67(8)9)151-106(172)77(39-23-29-47-125)136-102(168)74(36-20-26-44-122)134-93(161)59-131-101(167)88(60-155)148-100(166)69(11)133-120(186)99(70(12)158)154-114(180)84(54-73-58-130-63-132-73)144-111(177)83(135-92(160)57-128)52-71-32-16-14-17-33-71)119(185)150-90(62-157)115(181)138-75(37-21-27-45-123)103(169)139-80(42-43-94(162)163)105(171)149-89(61-156)116(182)143-81(50-64(2)3)109(175)146-86(56-95(164)165)113(179)137-78(40-24-30-48-126)107(173)152-96(66(6)7)117(183)140-76(38-22-28-46-124)104(170)145-85(55-91(129)159)112(178)142-82(51-65(4)5)110(176)147-87(121(187)188)53-72-34-18-15-19-35-72/h14-19,32-35,58,63-70,74-90,96-99,155-158H,13,20-31,36-57,59-62,122-128H2,1-12H3,(H2,129,159)(H,130,132)(H,131,167)(H,133,186)(H,134,161)(H,135,160)(H,136,168)(H,137,179)(H,138,181)(H,139,169)(H,140,183)(H,141,184)(H,142,178)(H,143,182)(H,144,177)(H,145,170)(H,146,175)(H,147,176)(H,148,166)(H,149,171)(H,150,185)(H,151,172)(H,152,173)(H,153,174)(H,154,180)(H,162,163)(H,164,165)(H,187,188)/t68-,69-,70+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,96-,97-,98-,99-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique& Universite de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 assessed as dissociation of protein/single-stranded poly-(d-epsilonA) complex formation by fluorescence polarimetry


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50416569
PNG
(CHEMBL1215818)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=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](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C124H199N33O33/c1-12-70(8)101(156-112(177)83(45-27-33-53-130)145-121(186)100(69(6)7)154-110(175)81(43-25-31-51-128)141-106(171)78(40-22-28-48-125)138-96(163)63-134-105(170)92(64-158)152-104(169)72(10)137-123(188)102(73(11)160)157-118(183)88(58-77-62-133-66-135-77)148-114(179)86(139-95(162)61-131)55-74-34-16-13-17-35-74)122(187)136-71(9)103(168)140-79(41-23-29-49-126)107(172)143-84(46-47-97(164)165)109(174)153-93(65-159)119(184)146-85(54-67(2)3)113(178)150-90(60-98(166)167)117(182)142-82(44-26-32-52-129)111(176)155-99(68(4)5)120(185)144-80(42-24-30-50-127)108(173)149-89(59-94(132)161)116(181)147-87(56-75-36-18-14-19-37-75)115(180)151-91(124(189)190)57-76-38-20-15-21-39-76/h13-21,34-39,62,66-73,78-93,99-102,158-160H,12,22-33,40-61,63-65,125-131H2,1-11H3,(H2,132,161)(H,133,135)(H,134,170)(H,136,187)(H,137,188)(H,138,163)(H,139,162)(H,140,168)(H,141,171)(H,142,182)(H,143,172)(H,144,185)(H,145,186)(H,146,184)(H,147,181)(H,148,179)(H,149,173)(H,150,178)(H,151,180)(H,152,169)(H,153,174)(H,154,175)(H,155,176)(H,156,177)(H,157,183)(H,164,165)(H,166,167)(H,189,190)/t70-,71-,72-,73+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,99-,100-,101-,102-/m0/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique& Universite de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 assessed as dissociation of protein/single-stranded oligo(AGT)12 complex formation by fluorescence polarimetry


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50416566
PNG
(CHEMBL1215815)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=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](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C124H203N31O34/c1-14-70(10)101(154-112(176)83(42-26-32-54-130)143-121(185)100(69(8)9)152-110(174)81(40-24-30-52-128)139-106(170)78(37-21-27-49-125)136-96(162)63-133-105(169)92(64-156)150-104(168)72(12)135-123(187)102(73(13)158)155-118(182)88(58-76-43-45-77(159)46-44-76)146-115(179)87(137-95(161)62-131)57-74-33-17-15-18-34-74)122(186)134-71(11)103(167)138-79(38-22-28-50-126)107(171)141-84(47-48-97(163)164)109(173)151-93(65-157)119(183)145-85(55-66(2)3)113(177)148-90(61-98(165)166)117(181)140-82(41-25-31-53-129)111(175)153-99(68(6)7)120(184)142-80(39-23-29-51-127)108(172)147-89(60-94(132)160)116(180)144-86(56-67(4)5)114(178)149-91(124(188)189)59-75-35-19-16-20-36-75/h15-20,33-36,43-46,66-73,78-93,99-102,156-159H,14,21-32,37-42,47-65,125-131H2,1-13H3,(H2,132,160)(H,133,169)(H,134,186)(H,135,187)(H,136,162)(H,137,161)(H,138,167)(H,139,170)(H,140,181)(H,141,171)(H,142,184)(H,143,185)(H,144,180)(H,145,183)(H,146,179)(H,147,172)(H,148,177)(H,149,178)(H,150,168)(H,151,173)(H,152,174)(H,153,175)(H,154,176)(H,155,182)(H,163,164)(H,165,166)(H,188,189)/t70-,71-,72-,73+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,99-,100-,101-,102-/m0/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique& Universite de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 assessed as dissociation of protein/single-stranded oligo(AGT)12 complex formation by fluorescence polarimetry


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50424504
PNG
(CHEMBL2316738)
Show SMILES ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccc(Br)c(Cl)c1
Show InChI InChI=1S/C14H11BrCl2N2O3/c15-9-2-1-8(7-10(9)16)19-13(20)11(17)12(14(19)21)18-3-5-22-6-4-18/h1-2,7H,3-6H2
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 binding to single stranded DNA by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50416562
PNG
(CHEMBL1215811)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=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](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C130H213N35O39/c1-14-71(10)105(164-116(189)83(42-26-32-52-136)151-127(200)104(70(8)9)162-114(187)81(40-24-30-50-134)147-110(183)78(37-21-27-47-131)144-98(171)63-140-109(182)94(64-166)160-108(181)73(12)143-129(202)106(74(13)168)165-124(197)90(57-77-62-139-66-141-77)156-119(192)88(145-97(170)61-137)55-75-33-17-15-18-34-75)128(201)142-72(11)107(180)146-79(38-22-28-48-132)111(184)149-84(43-45-99(172)173)113(186)161-95(65-167)125(198)154-87(54-68(4)5)118(191)158-92(59-101(176)177)122(195)148-82(41-25-31-51-135)115(188)163-103(69(6)7)126(199)150-80(39-23-29-49-133)112(185)157-91(58-96(138)169)121(194)153-86(53-67(2)3)117(190)155-89(56-76-35-19-16-20-36-76)120(193)159-93(60-102(178)179)123(196)152-85(130(203)204)44-46-100(174)175/h15-20,33-36,62,66-74,78-95,103-106,166-168H,14,21-32,37-61,63-65,131-137H2,1-13H3,(H2,138,169)(H,139,141)(H,140,182)(H,142,201)(H,143,202)(H,144,171)(H,145,170)(H,146,180)(H,147,183)(H,148,195)(H,149,184)(H,150,199)(H,151,200)(H,152,196)(H,153,194)(H,154,198)(H,155,190)(H,156,192)(H,157,185)(H,158,191)(H,159,193)(H,160,181)(H,161,186)(H,162,187)(H,163,188)(H,164,189)(H,165,197)(H,172,173)(H,174,175)(H,176,177)(H,178,179)(H,203,204)/t71-,72-,73-,74+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,103-,104-,105-,106-/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique& Universite de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 assessed as dissociation of protein/single-stranded DNA complex formation by fluorescence polarimetry


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM51314
PNG
((6-chloranyl-2-phenyl-chromen-4-ylidene)-(2,2,6,6-...)
Show SMILES CC1(C)CC(CC(C)(C)N1)\[NH+]=c1/cc(oc2ccc(Cl)cc12)-c1ccccc1
Show InChI InChI=1S/C24H27ClN2O/c1-23(2)14-18(15-24(3,4)27-23)26-20-13-22(16-8-6-5-7-9-16)28-21-11-10-17(25)12-19(20)21/h5-13,18,27H,14-15H2,1-4H3/p+1/b26-20+
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n/an/a 3.66E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50416569
PNG
(CHEMBL1215818)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=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](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C124H199N33O33/c1-12-70(8)101(156-112(177)83(45-27-33-53-130)145-121(186)100(69(6)7)154-110(175)81(43-25-31-51-128)141-106(171)78(40-22-28-48-125)138-96(163)63-134-105(170)92(64-158)152-104(169)72(10)137-123(188)102(73(11)160)157-118(183)88(58-77-62-133-66-135-77)148-114(179)86(139-95(162)61-131)55-74-34-16-13-17-35-74)122(187)136-71(9)103(168)140-79(41-23-29-49-126)107(172)143-84(46-47-97(164)165)109(174)153-93(65-159)119(184)146-85(54-67(2)3)113(178)150-90(60-98(166)167)117(182)142-82(44-26-32-52-129)111(176)155-99(68(4)5)120(185)144-80(42-24-30-50-127)108(173)149-89(59-94(132)161)116(181)147-87(56-75-36-18-14-19-37-75)115(180)151-91(124(189)190)57-76-38-20-15-21-39-76/h13-21,34-39,62,66-73,78-93,99-102,158-160H,12,22-33,40-61,63-65,125-131H2,1-11H3,(H2,132,161)(H,133,135)(H,134,170)(H,136,187)(H,137,188)(H,138,163)(H,139,162)(H,140,168)(H,141,171)(H,142,182)(H,143,172)(H,144,185)(H,145,186)(H,146,184)(H,147,181)(H,148,179)(H,149,173)(H,150,178)(H,151,180)(H,152,169)(H,153,174)(H,154,175)(H,155,176)(H,156,177)(H,157,183)(H,164,165)(H,166,167)(H,189,190)/t70-,71-,72-,73+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,99-,100-,101-,102-/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique& Universite de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 assessed as dissociation of protein/single-stranded poly-(d-epsilonA) complex formation by fluorescence polarimetry


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50424503
PNG
(CHEMBL2316739)
Show SMILES COc1ccc(cc1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H10Cl3NO3/c1-24-11-5-2-9(3-6-11)14-15(20)17(23)21(16(14)22)10-4-7-12(18)13(19)8-10/h2-8H,1H3
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n/an/a 5.29E+3n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 binding to single stranded DNA by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50056939
PNG
(4-Formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-1...)
Show SMILES COc1cc(C(O)=O)c2Oc3c(C=O)c(O)cc(C)c3C(=O)Oc2c1C
Show InChI InChI=1S/C18H14O8/c1-7-4-11(20)10(6-19)15-13(7)18(23)26-14-8(2)12(24-3)5-9(17(21)22)16(14)25-15/h4-6,20H,1-3H3,(H,21,22)
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n/an/a 5.45E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50416564
PNG
(CHEMBL1215813)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=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](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C121H201N33O33/c1-14-68(10)98(153-109(174)80(42-26-32-50-127)142-118(183)97(67(8)9)151-107(172)78(40-24-30-48-125)138-103(168)75(37-21-27-45-122)135-93(160)60-131-102(167)89(61-155)149-101(166)70(12)134-120(185)99(71(13)157)154-115(180)85(55-74-59-130-63-132-74)145-112(177)84(136-92(159)58-128)53-72-33-17-15-18-34-72)119(184)133-69(11)100(165)137-76(38-22-28-46-123)104(169)140-81(43-44-94(161)162)106(171)150-90(62-156)116(181)144-82(51-64(2)3)110(175)147-87(57-95(163)164)114(179)139-79(41-25-31-49-126)108(173)152-96(66(6)7)117(182)141-77(39-23-29-47-124)105(170)146-86(56-91(129)158)113(178)143-83(52-65(4)5)111(176)148-88(121(186)187)54-73-35-19-16-20-36-73/h15-20,33-36,59,63-71,75-90,96-99,155-157H,14,21-32,37-58,60-62,122-128H2,1-13H3,(H2,129,158)(H,130,132)(H,131,167)(H,133,184)(H,134,185)(H,135,160)(H,136,159)(H,137,165)(H,138,168)(H,139,179)(H,140,169)(H,141,182)(H,142,183)(H,143,178)(H,144,181)(H,145,177)(H,146,170)(H,147,175)(H,148,176)(H,149,166)(H,150,171)(H,151,172)(H,152,173)(H,153,174)(H,154,180)(H,161,162)(H,163,164)(H,186,187)/t68-,69-,70-,71+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,96-,97-,98-,99-/m0/s1
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PubMed
n/an/a 6.00E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique& Universite de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 assessed as dissociation of protein/single-stranded oligo(AGT)12 complex formation by fluorescence polarimetry


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50055659
PNG
(2N-(3,3-aminoiminopropyl)-4-[4-(4-formamido-1-meth...)
Show SMILES Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC(N)=N)n(C)c2)n(C)c1
Show InChI InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)
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PCBioAssay
n/an/a 6.37E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM34194
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-(4-methylpipe...)
Show SMILES CN1CCN(CC1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C15H14Cl3N3O2/c1-19-4-6-20(7-5-19)13-12(18)14(22)21(15(13)23)9-2-3-10(16)11(17)8-9/h2-3,8H,4-7H2,1H3
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PubMed
n/an/a 6.43E+3n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 binding to single stranded DNA by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM39120
PNG
(3-chloranyl-1-(3,4-dichlorophenyl)-4-morpholin-4-y...)
Show SMILES ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H11Cl3N2O3/c15-9-2-1-8(7-10(9)16)19-13(20)11(17)12(14(19)21)18-3-5-22-6-4-18/h1-2,7H,3-6H2
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PubMed
n/an/a 6.82E+3n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 binding to single stranded DNA by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50416566
PNG
(CHEMBL1215815)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=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](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C124H203N31O34/c1-14-70(10)101(154-112(176)83(42-26-32-54-130)143-121(185)100(69(8)9)152-110(174)81(40-24-30-52-128)139-106(170)78(37-21-27-49-125)136-96(162)63-133-105(169)92(64-156)150-104(168)72(12)135-123(187)102(73(13)158)155-118(182)88(58-76-43-45-77(159)46-44-76)146-115(179)87(137-95(161)62-131)57-74-33-17-15-18-34-74)122(186)134-71(11)103(167)138-79(38-22-28-50-126)107(171)141-84(47-48-97(163)164)109(173)151-93(65-157)119(183)145-85(55-66(2)3)113(177)148-90(61-98(165)166)117(181)140-82(41-25-31-53-129)111(175)153-99(68(6)7)120(184)142-80(39-23-29-51-127)108(172)147-89(60-94(132)160)116(180)144-86(56-67(4)5)114(178)149-91(124(188)189)59-75-35-19-16-20-36-75/h15-20,33-36,43-46,66-73,78-93,99-102,156-159H,14,21-32,37-42,47-65,125-131H2,1-13H3,(H2,132,160)(H,133,169)(H,134,186)(H,135,187)(H,136,162)(H,137,161)(H,138,167)(H,139,170)(H,140,181)(H,141,171)(H,142,184)(H,143,185)(H,144,180)(H,145,183)(H,146,179)(H,147,172)(H,148,177)(H,149,178)(H,150,168)(H,151,173)(H,152,174)(H,153,175)(H,154,176)(H,155,182)(H,163,164)(H,165,166)(H,188,189)/t70-,71-,72-,73+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,99-,100-,101-,102-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Centre National de la Recherche Scientifique& Universite de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 assessed as dissociation of protein/single-stranded poly-(d-epsilonA) complex formation by fluorescence polarimetry


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50424506
PNG
(CHEMBL2316736)
Show SMILES Fc1cc(ccc1Cl)N1C(=O)C(Cl)=C(N2CCOCC2)C1=O
Show InChI InChI=1S/C14H11Cl2FN2O3/c15-9-2-1-8(7-10(9)17)19-13(20)11(16)12(14(19)21)18-3-5-22-6-4-18/h1-2,7H,3-6H2
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n/an/a 7.91E+3n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 binding to single stranded DNA by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM29673
PNG
(1,4,10-Trihydroxy-5-hydroxymethyl-8-methyl-3,7-dio...)
Show SMILES Cc1cc(O)c(C=O)c2Oc3c4C(O)OC(=O)c4c(O)c(CO)c3OC(=O)c12
Show InChI InChI=1S/C18H12O10/c1-5-2-8(21)6(3-19)13-9(5)16(23)27-14-7(4-20)12(22)10-11(15(14)26-13)18(25)28-17(10)24/h2-3,18,20-22,25H,4H2,1H3
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PCBioAssay
n/an/a 8.02E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50424507
PNG
(CHEMBL2316735)
Show SMILES Fc1ccc(cc1Cl)N1C(=O)C(Cl)=C(N2CCOCC2)C1=O
Show InChI InChI=1S/C14H11Cl2FN2O3/c15-9-7-8(1-2-10(9)17)19-13(20)11(16)12(14(19)21)18-3-5-22-6-4-18/h1-2,7H,3-6H2
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PubMed
n/an/a 8.32E+3n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 binding to single stranded DNA by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50056922
PNG
(1,4-Dihydroxy-10-methoxy-5,8-dimethyl-3,7-dioxo-1,...)
Show SMILES COc1cc(C)c2c(Oc3c4C(O)OC(=O)c4c(O)c(C)c3OC2=O)c1C=O
Show InChI InChI=1S/C19H14O9/c1-6-4-9(25-3)8(5-20)15-10(6)17(22)27-14-7(2)13(21)11-12(16(14)26-15)19(24)28-18(11)23/h4-5,19,21,24H,1-3H3
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n/an/a 8.74E+3n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50424505
PNG
(CHEMBL2316737)
Show SMILES ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccc(Cl)c(Br)c1
Show InChI InChI=1S/C14H11BrCl2N2O3/c15-9-7-8(1-2-10(9)16)19-13(20)11(17)12(14(19)21)18-3-5-22-6-4-18/h1-2,7H,3-6H2
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PubMed
n/an/a 9.94E+3n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 binding to single stranded DNA by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM44459
PNG
(1,1,3-Trimethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-...)
Show SMILES CN1\C(=C/C=C/C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc12
Show InChI InChI=1S/C29H31N2/c1-28(2)22-14-9-10-15-23(22)30(5)25(28)16-11-17-26-29(3,4)27-21-13-8-7-12-20(21)18-19-24(27)31(26)6/h7-19H,1-6H3/q+1
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n/an/a 1.06E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50416564
PNG
(CHEMBL1215813)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=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](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C121H201N33O33/c1-14-68(10)98(153-109(174)80(42-26-32-50-127)142-118(183)97(67(8)9)151-107(172)78(40-24-30-48-125)138-103(168)75(37-21-27-45-122)135-93(160)60-131-102(167)89(61-155)149-101(166)70(12)134-120(185)99(71(13)157)154-115(180)85(55-74-59-130-63-132-74)145-112(177)84(136-92(159)58-128)53-72-33-17-15-18-34-72)119(184)133-69(11)100(165)137-76(38-22-28-46-123)104(169)140-81(43-44-94(161)162)106(171)150-90(62-156)116(181)144-82(51-64(2)3)110(175)147-87(57-95(163)164)114(179)139-79(41-25-31-49-126)108(173)152-96(66(6)7)117(182)141-77(39-23-29-47-124)105(170)146-86(56-91(129)158)113(178)143-83(52-65(4)5)111(176)148-88(121(186)187)54-73-35-19-16-20-36-73/h15-20,33-36,59,63-71,75-90,96-99,155-157H,14,21-32,37-58,60-62,122-128H2,1-13H3,(H2,129,158)(H,130,132)(H,131,167)(H,133,184)(H,134,185)(H,135,160)(H,136,159)(H,137,165)(H,138,168)(H,139,179)(H,140,169)(H,141,182)(H,142,183)(H,143,178)(H,144,181)(H,145,177)(H,146,170)(H,147,175)(H,148,176)(H,149,166)(H,150,171)(H,151,172)(H,152,173)(H,153,174)(H,154,180)(H,161,162)(H,163,164)(H,186,187)/t68-,69-,70-,71+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,96-,97-,98-,99-/m0/s1
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PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Centre National de la Recherche Scientifique& Universite de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 assessed as dissociation of protein/single-stranded DNA complex formation by fluorescence polarimetry


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50416564
PNG
(CHEMBL1215813)
Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=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](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C121H201N33O33/c1-14-68(10)98(153-109(174)80(42-26-32-50-127)142-118(183)97(67(8)9)151-107(172)78(40-24-30-48-125)138-103(168)75(37-21-27-45-122)135-93(160)60-131-102(167)89(61-155)149-101(166)70(12)134-120(185)99(71(13)157)154-115(180)85(55-74-59-130-63-132-74)145-112(177)84(136-92(159)58-128)53-72-33-17-15-18-34-72)119(184)133-69(11)100(165)137-76(38-22-28-46-123)104(169)140-81(43-44-94(161)162)106(171)150-90(62-156)116(181)144-82(51-64(2)3)110(175)147-87(57-95(163)164)114(179)139-79(41-25-31-49-126)108(173)152-96(66(6)7)117(182)141-77(39-23-29-47-124)105(170)146-86(56-91(129)158)113(178)143-83(52-65(4)5)111(176)148-88(121(186)187)54-73-35-19-16-20-36-73/h15-20,33-36,59,63-71,75-90,96-99,155-157H,14,21-32,37-58,60-62,122-128H2,1-13H3,(H2,129,158)(H,130,132)(H,131,167)(H,133,184)(H,134,185)(H,135,160)(H,136,159)(H,137,165)(H,138,168)(H,139,179)(H,140,169)(H,141,182)(H,142,183)(H,143,178)(H,144,181)(H,145,177)(H,146,170)(H,147,175)(H,148,176)(H,149,166)(H,150,171)(H,151,172)(H,152,173)(H,153,174)(H,154,180)(H,161,162)(H,163,164)(H,186,187)/t68-,69-,70-,71+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,96-,97-,98-,99-/m0/s1
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PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



Centre National de la Recherche Scientifique& Universite de Nantes

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 assessed as dissociation of protein/single-stranded poly-(d-epsilonA) complex formation by fluorescence polarimetry


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM32329
PNG
((2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-...)
Show SMILES CCN1\C(Sc2ccccc12)=C\C(\C)=C\c1sc2ccccc2[n+]1CC
Show InChI InChI=1S/C22H23N2S2/c1-4-23-17-10-6-8-12-19(17)25-21(23)14-16(3)15-22-24(5-2)18-11-7-9-13-20(18)26-22/h6-15H,4-5H2,1-3H3/q+1
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n/an/a 1.23E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50424508
PNG
(CHEMBL2316734)
Show SMILES Fc1ccc(cc1F)N1C(=O)C(Cl)=C(N2CCOCC2)C1=O
Show InChI InChI=1S/C14H11ClF2N2O3/c15-11-12(18-3-5-22-6-4-18)14(21)19(13(11)20)8-1-2-9(16)10(17)7-8/h1-2,7H,3-6H2
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n/an/a 1.32E+4n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 binding to single stranded DNA by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM51314
PNG
((6-chloranyl-2-phenyl-chromen-4-ylidene)-(2,2,6,6-...)
Show SMILES CC1(C)CC(CC(C)(C)N1)\[NH+]=c1/cc(oc2ccc(Cl)cc12)-c1ccccc1
Show InChI InChI=1S/C24H27ClN2O/c1-23(2)14-18(15-24(3,4)27-23)26-20-13-22(16-8-6-5-7-9-16)28-21-11-10-17(25)12-19(20)21/h5-13,18,27H,14-15H2,1-4H3/p+1/b26-20+
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PCBioAssay
n/an/a 1.47E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM39128
PNG
(1-[2,3-bis(chloranyl)phenyl]-3-chloranyl-4-morphol...)
Show SMILES ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1cccc(Cl)c1Cl
Show InChI InChI=1S/C14H11Cl3N2O3/c15-8-2-1-3-9(10(8)16)19-13(20)11(17)12(14(19)21)18-4-6-22-7-5-18/h1-3H,4-7H2
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n/an/a 1.49E+4n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 binding to single stranded DNA by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50424502
PNG
(CHEMBL2316719)
Show SMILES CN(C)c1ccc(cc1)C1=C(Cl)C(=O)N(C1=O)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H13Cl3N2O2/c1-22(2)11-5-3-10(4-6-11)15-16(21)18(25)23(17(15)24)12-7-8-13(19)14(20)9-12/h3-9H,1-2H3
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n/an/a 1.56E+4n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 binding to single stranded DNA by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM43864
PNG
(2-chloranyl-N1,N4-bis[4-(4,5-dihydro-1H-imidazol-2...)
Show SMILES Clc1cc(ccc1C(=O)Nc1ccc(cc1)C1=NCCN1)C(=O)Nc1ccc(cc1)C1=NCCN1
Show InChI InChI=1S/C26H23ClN6O2/c27-22-15-18(25(34)32-19-6-1-16(2-7-19)23-28-11-12-29-23)5-10-21(22)26(35)33-20-8-3-17(4-9-20)24-30-13-14-31-24/h1-10,15H,11-14H2,(H,28,29)(H,30,31)(H,32,34)(H,33,35)
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n/an/a 1.64E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM33446
PNG
(3-Chloro-4-morpholin-4-yl-1-phenyl-pyrrole-2,5-dio...)
Show SMILES ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccccc1
Show InChI InChI=1S/C14H13ClN2O3/c15-11-12(16-6-8-20-9-7-16)14(19)17(13(11)18)10-4-2-1-3-5-10/h1-5H,6-9H2
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n/an/a 1.79E+4n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 binding to single stranded DNA by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM39129
PNG
(3-chloranyl-1-(2-chlorophenyl)-4-morpholin-4-yl-py...)
Show SMILES ClC1=C(N2CCOCC2)C(=O)N(C1=O)c1ccccc1Cl
Show InChI InChI=1S/C14H12Cl2N2O3/c15-9-3-1-2-4-10(9)18-13(19)11(16)12(14(18)20)17-5-7-21-8-6-17/h1-4H,5-8H2
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n/an/a 1.97E+4n/an/an/an/an/an/a



University of Chicago

Curated by ChEMBL


Assay Description
Inhibition of human RAD51 binding to single stranded DNA by fluorescence polarization assay


Citation and Details
More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM51312
PNG
(3-[(8,9-dimethoxy-2-phenyl-[1,2,4]triazolo[1,5-c]q...)
Show SMILES CCN(CC)CCCNc1nc2cc(OC)c(OC)cc2c2nc(nn12)-c1ccccc1
Show InChI InChI=1S/C24H30N6O2/c1-5-29(6-2)14-10-13-25-24-26-19-16-21(32-4)20(31-3)15-18(19)23-27-22(28-30(23)24)17-11-8-7-9-12-17/h7-9,11-12,15-16H,5-6,10,13-14H2,1-4H3,(H,25,26)
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PCBioAssay
n/an/a 2.11E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
DNA repair protein RAD51 homolog 1


(Homo sapiens)
BDBM50174412
PNG
(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole ...)
Show SMILES COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
Show InChI InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3
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n/an/a 2.47E+4n/an/an/an/an/an/a



PCMD

Curated by PubChem BioAssay


Assay Description
Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...


PubChem Bioassay (2008)

More data for this
Ligand-Target Pair
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