BDBM50246103 CHEMBL4080446

SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O

InChI Key: InChIKey=MEFYELBOZHPKOU-ZCTVOPJXSA-N

Data: 1 Kd

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 = 50246103   

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
14-3-3 protein zeta/delta (Homo sapiens)	BDBM50246103 (CHEMBL4080446) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1(C)CCCCCCCCCCCC[C@](C)(NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)COCCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(N)=O |r| Show InChI InChI=1S/C84H121N15O25S/c1-45(2)34-57(73(113)89-48(7)71(111)95-62(43-100)70(86)110)92-76(116)60(40-68(106)107)93-74(114)58(35-46(3)4)97-80(120)83(9)29-19-17-15-13-11-10-12-14-16-18-28-82(8,79(119)96-59(36-47(5)6)75(115)94-61(41-69(108)109)77(117)99-83)98-66(104)42-88-72(112)56(26-27-65(85)103)91-67(105)44-122-33-32-121-31-30-87-81(125)90-49-20-23-53-52(37-49)78(118)124-84(53)54-24-21-50(101)38-63(54)123-64-39-51(102)22-25-55(64)84/h20-25,37-39,45-48,56-62,100-102H,10-19,26-36,40-44H2,1-9H3,(H2,85,103)(H2,86,110)(H,88,112)(H,89,113)(H,91,105)(H,92,116)(H,93,114)(H,94,115)(H,95,111)(H,96,119)(H,97,120)(H,98,104)(H,99,117)(H,106,107)(H,108,109)(H2,87,90,125)/t48-,56-,57-,58-,59-,60-,61-,62-,82-,83-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a
Chemical Genomics Centre of the Max Planck Society Curated by ChEMBL					Assay Description Binding affinity to 14-3-3zeta (1 to 230 residues) (unknown origin) after 1 hr using FITC labeled compound by fluorescence polarization assay				J Med Chem 60: 8982-8988 (2017) Article DOI: 10.1021/acs.jmedchem.7b01221 BindingDB Entry DOI: 10.7270/Q2ZW1PBD
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