BDBM50000154 2-{2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-acetylamino)-3-hydroxy-butyrylamino]-3-methyl-butyrylamino}-3-methyl-pentanoylamino)-3-carbamoyl-propionylamino]-3-carboxy-propionylamino}-4-methyl-pentanoic acid::CHEMBL413193

SMILES: CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI Key: InChIKey=KMXCIZAXKYOILP-VAIKXJNYSA-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 = 50000154   

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
Ribonucleoside-diphosphate reductase large subunit (Homo sapiens (Human))	BDBM50000154 (2-{2-[2-(2-{2-[2-(2-{2-[2-Acetylamino-3-(4-hydroxy...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C45H70N10O16/c1-10-22(6)36(43(68)51-29(17-32(46)59)40(65)50-30(18-34(61)62)41(66)52-31(45(70)71)15-20(2)3)55-42(67)35(21(4)5)54-44(69)37(24(8)56)53-33(60)19-47-38(63)23(7)48-39(64)28(49-25(9)57)16-26-11-13-27(58)14-12-26/h11-14,20-24,28-31,35-37,56,58H,10,15-19H2,1-9H3,(H2,46,59)(H,47,63)(H,48,64)(H,49,57)(H,50,65)(H,51,68)(H,52,66)(H,53,60)(H,54,69)(H,55,67)(H,61,62)(H,70,71)/t22-,23+,24-,28+,29+,30+,31+,35+,36+,37+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Notre-Dame Hospital Research Curated by ChEMBL					Assay Description Inhibitory concentaration against HSV-1 ribonucleotide reductase R1 protein binding				J Med Chem 35: 346-50 (1992) BindingDB Entry DOI: 10.7270/Q2348JB2
					More data for this Ligand-Target Pair