Found 4 hits Enz. Inhib. hit(s) with Target = 'DNA repair protein RAD51 homolog 1' and Ligand = 'BDBM50416564' 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 |
|---|
DNA repair protein RAD51 homolog 1
(Homo sapiens (Human)) | BDBM50416564
(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 |r| 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
| Article
PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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... |
J Med Chem 53: 5782-91 (2010)
Article DOI: 10.1021/jm1002974
BindingDB Entry DOI: 10.7270/Q2NG4RV5 |
More data for this
Ligand-Target Pair | |
DNA repair protein RAD51 homolog 1
(Homo sapiens (Human)) | BDBM50416564
(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 |r| 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
| Article
PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 53: 5782-91 (2010)
Article DOI: 10.1021/jm1002974
BindingDB Entry DOI: 10.7270/Q2NG4RV5 |
More data for this
Ligand-Target Pair | |
DNA repair protein RAD51 homolog 1
(Homo sapiens (Human)) | BDBM50416564
(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 |r| 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
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 53: 5782-91 (2010)
Article DOI: 10.1021/jm1002974
BindingDB Entry DOI: 10.7270/Q2NG4RV5 |
More data for this
Ligand-Target Pair | |
DNA repair protein RAD51 homolog 1
(Homo sapiens (Human)) | BDBM50416564
(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 |r| 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
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/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 |
J Med Chem 53: 5782-91 (2010)
Article DOI: 10.1021/jm1002974
BindingDB Entry DOI: 10.7270/Q2NG4RV5 |
More data for this
Ligand-Target Pair | |
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