BDBM50366582 CHEMBL611125

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

InChI Key: InChIKey=RAWZLEKTUTUGLH-PYGBFABJSA-N

Data: 2 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 2 hits for monomerid = 50366582   

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
Protein kinase C beta type (Homo sapiens (Human))	BDBM50366582 (CHEMBL611125) 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)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r| Show InChI InChI=1S/C50H90N30O12/c51-35-31-36(72-22-71-35)80(23-73-31)43-33(83)32(82)34(92-43)42(89)64-15-7-14-30(81)74-24(8-1-16-65-45(52)53)37(84)75-25(9-2-17-66-46(54)55)38(85)76-26(10-3-18-67-47(56)57)39(86)77-27(11-4-19-68-48(58)59)40(87)78-28(12-5-20-69-49(60)61)41(88)79-29(44(90)91)13-6-21-70-50(62)63/h22-29,32-34,43,82-83H,1-21H2,(H,64,89)(H,74,81)(H,75,84)(H,76,85)(H,77,86)(H,78,87)(H,79,88)(H,90,91)(H2,51,71,72)(H4,52,53,65)(H4,54,55,66)(H4,56,57,67)(H4,58,59,68)(H4,60,61,69)(H4,62,63,70)/t24-,25-,26-,27-,28-,29-,32+,33-,34+,43?/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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tartu University Curated by ChEMBL					Assay Description Inhibitory activity against Protein kinase C beta isoform (PKC) from pig spleen.				Bioorg Med Chem Lett 9: 1447-52 (1999) BindingDB Entry DOI: 10.7270/Q2RF5VJB
					More data for this Ligand-Target Pair
Calcium dependent protein kinase (Zea mays)	BDBM50366582 (CHEMBL611125) 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)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)CCCNC(=O)[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r| Show InChI InChI=1S/C50H90N30O12/c51-35-31-36(72-22-71-35)80(23-73-31)43-33(83)32(82)34(92-43)42(89)64-15-7-14-30(81)74-24(8-1-16-65-45(52)53)37(84)75-25(9-2-17-66-46(54)55)38(85)76-26(10-3-18-67-47(56)57)39(86)77-27(11-4-19-68-48(58)59)40(87)78-28(12-5-20-69-49(60)61)41(88)79-29(44(90)91)13-6-21-70-50(62)63/h22-29,32-34,43,82-83H,1-21H2,(H,64,89)(H,74,81)(H,75,84)(H,76,85)(H,77,86)(H,78,87)(H,79,88)(H,90,91)(H2,51,71,72)(H4,52,53,65)(H4,54,55,66)(H4,56,57,67)(H4,58,59,68)(H4,60,61,69)(H4,62,63,70)/t24-,25-,26-,27-,28-,29-,32+,33-,34+,43?/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.90E+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