Found 3 hits Enz. Inhib. hit(s) with Target = 'DNA repair protein RAD51 homolog 1' and Ligand = 'BDBM50416570' 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)) | BDBM50416570
(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 |r| 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
| Article PubMed
| 750 | 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)) | BDBM50416570
(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 |r| 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
| Article PubMed
| n/a | n/a | 1.05E+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)) | BDBM50416570
(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 |r| 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
| Article PubMed
| n/a | n/a | 1.50E+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 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 | |