BDBM50117492 CHEMBL267119::H-His-Ala-Lys-Arg-Arg-Leu-Ile-(L)-Phe omegaCH2OH

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](CO)Cc1ccccc1

InChI Key: InChIKey=IUVOVXQLMSRQDH-AKTJGQIYSA-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 = 50117492   

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))	BDBM50117492 (CHEMBL267119 | H-His-Ala-Lys-Arg-Arg-Leu-Ile-(L)-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](CO)Cc1ccccc1 Show InChI InChI=1S/C48H83N17O8/c1-6-29(4)39(46(73)60-33(26-66)23-31-14-8-7-9-15-31)65-45(72)38(22-28(2)3)64-44(71)37(18-13-21-57-48(53)54)63-43(70)36(17-12-20-56-47(51)52)62-42(69)35(16-10-11-19-49)61-40(67)30(5)59-41(68)34(50)24-32-25-55-27-58-32/h7-9,14-15,25,27-30,33-39,66H,6,10-13,16-24,26,49-50H2,1-5H3,(H,55,58)(H,59,68)(H,60,73)(H,61,67)(H,62,69)(H,63,70)(H,64,71)(H,65,72)(H4,51,52,56)(H4,53,54,57)/t29-,30-,33-,34-,35-,36-,37-,38-,39-/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	24	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
					More data for this Ligand-Target Pair