BDBM50366581 CHEMBL611118

SMILES: NC(=N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O

InChI Key: InChIKey=GEZGSPLWPYGLBI-JLANUGQOSA-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 = 50366581   

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
Calcium dependent protein kinase (Zea mays)	BDBM50366581 (CHEMBL611118) Show SMILES NC(=N)NCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCCCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r| Show InChI InChI=1S/C40H70N22O10/c41-29-25-30(56-18-55-29)62(19-57-25)35-27(65)26(64)28(72-35)34(69)50-13-3-1-2-12-24(63)58-20(8-4-14-51-37(42)43)31(66)59-21(9-5-15-52-38(44)45)32(67)60-22(10-6-16-53-39(46)47)33(68)61-23(36(70)71)11-7-17-54-40(48)49/h18-23,26-28,35,64-65H,1-17H2,(H,50,69)(H,58,63)(H,59,66)(H,60,67)(H,61,68)(H,70,71)(H2,41,55,56)(H4,42,43,51)(H4,44,45,52)(H4,46,47,53)(H4,48,49,54)/t20-,21-,22-,23-,26+,27-,28+,35?/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Tartu University Curated by ChEMBL					Assay Description Inhibition of Calcium-dependent protein kinase 1 (CDPK-1) from maize seedlings				Bioorg Med Chem Lett 9: 1447-52 (1999) BindingDB Entry DOI: 10.7270/Q2RF5VJB
					More data for this Ligand-Target Pair