BDBM50012920 CHEMBL3261356

SMILES: CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O

InChI Key: InChIKey=IYVSENNWEQRCHW-SJEPWRSJSA-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 = 50012920   

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, epsilon (Homo sapiens (Human))	BDBM50012920 (CHEMBL3261356) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r| Show InChI InChI=1S/C79H149N37O20/c1-39(2)37-52(112-67(130)53(38-117)113-69(132)56(40(3)4)114-58(121)41(5)103-59(122)43(81)26-27-55(119)120)66(129)110-50(17-7-8-28-80)71(134)116-36-16-25-54(116)68(131)115-57(42(6)118)70(133)109-49(23-14-34-101-78(92)93)64(127)107-47(21-12-32-99-76(88)89)62(125)105-45(19-10-30-97-74(84)85)60(123)104-44(18-9-29-96-73(82)83)61(124)106-46(20-11-31-98-75(86)87)63(126)108-48(22-13-33-100-77(90)91)65(128)111-51(72(135)136)24-15-35-102-79(94)95/h39-54,56-57,117-118H,7-38,80-81H2,1-6H3,(H,103,122)(H,104,123)(H,105,125)(H,106,124)(H,107,127)(H,108,126)(H,109,133)(H,110,129)(H,111,128)(H,112,130)(H,113,132)(H,114,121)(H,115,131)(H,119,120)(H,135,136)(H4,82,83,96)(H4,84,85,97)(H4,86,87,98)(H4,88,89,99)(H4,90,91,100)(H4,92,93,101)(H4,94,95,102)/t41-,42+,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,56-,57-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Innsbruck Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant PKCepsilon (unknown origin)-MBP-tagged RACK2 interaction after 1 hr by ELISA-based assay relative to untreated control				J Med Chem 57: 3235-46 (2014) Article DOI: 10.1021/jm401605c BindingDB Entry DOI: 10.7270/Q2028T25
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