BDBM50375615 CHEMBL261583

SMILES: CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N/OCC(=O)NCCNC(=O)c3ccc(cc3OC)C3(N=N3)C(F)(F)F)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C

InChI Key: InChIKey=NDTAHHLGUHLZPL-MHDKZYLSSA-N

Data: 1 KI

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 = 50375615   

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
Serine/threonine protein phosphatase PP1-gamma catalytic subunit (Homo sapiens (Human))	BDBM50375615 (CHEMBL261583) Show SMILES CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@]2(CC[C@@H](C)[C@H](CC[C@H](C)C(\C)=N/OCC(=O)NCCNC(=O)c3ccc(cc3OC)C3(N=N3)C(F)(F)F)O2)CC[C@@H]1C)[C@H](OC(=O)C[C@@H](O)C(\C(O)=O)=C(/C)C(O)=O)C(C)C |c:51| Show InChI InChI=1S/C55H82F3N5O17/c1-28(2)47(78-45(69)26-40(66)46(52(73)74)34(8)51(71)72)49(76-11)41(67)25-39(65)33(7)38(64)16-12-31(5)48-32(6)19-21-53(80-48)20-18-30(4)42(79-53)17-13-29(3)35(9)61-77-27-44(68)59-22-23-60-50(70)37-15-14-36(24-43(37)75-10)54(62-63-54)55(56,57)58/h14-15,24,28-33,38,40-42,47-49,64,66-67H,12-13,16-23,25-27H2,1-11H3,(H,59,68)(H,60,70)(H,71,72)(H,73,74)/b46-34-,61-35-/t29-,30+,31+,32-,33-,38-,40+,41+,42-,47+,48-,49-,53+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya University Curated by ChEMBL					Assay Description Inhibition of PP1gamma by firefly bioluminescence assay				Bioorg Med Chem 16: 1747-55 (2008) Article DOI: 10.1016/j.bmc.2007.11.034 BindingDB Entry DOI: 10.7270/Q2SJ1MHT
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