BDBM50416562 CHEMBL1215811

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

InChI Key: InChIKey=DPKCGEUTNOZFLX-UHHARVACSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50416562   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM50416562 (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 |r| 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	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	3.50E+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 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