BDBM50117487 CHEMBL216619::H-His-Ala-Lys-Arg-Arg-Leu-Ile-(D)-Pse-(Ac)-OH

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H]([C@@H](OC(C)=O)c1ccccc1)C(O)=O

InChI Key: InChIKey=WLFYGMMLYPUPNR-SDXRGDFVSA-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 = 50117487   

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
CDK2/Cyclin A/Cyclin A1 (Homo sapiens (Human))	BDBM50117487 (CHEMBL216619 | H-His-Ala-Lys-Arg-Arg-Leu-Ile-(D)-P...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H]([C@@H](OC(C)=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C50H83N17O11/c1-7-28(4)38(47(75)67-39(48(76)77)40(78-30(6)68)31-15-9-8-10-16-31)66-46(74)37(23-27(2)3)65-45(73)36(19-14-22-59-50(55)56)64-44(72)35(18-13-21-58-49(53)54)63-43(71)34(17-11-12-20-51)62-41(69)29(5)61-42(70)33(52)24-32-25-57-26-60-32/h8-10,15-16,25-29,33-40H,7,11-14,17-24,51-52H2,1-6H3,(H,57,60)(H,61,70)(H,62,69)(H,63,71)(H,64,72)(H,65,73)(H,66,74)(H,67,75)(H,76,77)(H4,53,54,58)(H4,55,56,59)/t28-,29-,33-,34-,35-,36-,37-,38-,39+,40-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description In vitro inhibition of CDK2-cyclin A kinase activity on retinoblastoma protein				Bioorg Med Chem Lett 12: 2501-5 (2002) BindingDB Entry DOI: 10.7270/Q2CC101N
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