Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA repair protein RAD51 homolog 1' and Ligand = 'BDBM50416561'   

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))	BDBM50416561 (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 |r| 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	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	2.10E+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 DNA complex formation by fluorescence polarimetry				J Med Chem 53: 5782-91 (2010) Article DOI: 10.1021/jm1002974 BindingDB Entry DOI: 10.7270/Q2NG4RV5
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