BDBM50361282 CHEMBL1935615

SMILES: CC(C)CC\C=C\c1nc(CCOc2ccc3C[C@H](N(Cc3c2)C(=O)\C=C\C=C\CO)C(O)=O)c(C)o1

InChI Key: InChIKey=CIGNRPWBYSQMEJ-PSJCJDSNSA-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 = 50361282   

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
Tyrosine-protein phosphatase non-receptor type 1 (Homo sapiens (Human))	BDBM50361282 (CHEMBL1935615) Show SMILES CC(C)CC\C=C\c1nc(CCOc2ccc3C[C@H](N(Cc3c2)C(=O)\C=C\C=C\CO)C(O)=O)c(C)o1 |r| Show InChI InChI=1S/C29H36N2O6/c1-20(2)9-6-7-10-27-30-25(21(3)37-27)14-16-36-24-13-12-22-18-26(29(34)35)31(19-23(22)17-24)28(33)11-5-4-8-15-32/h4-5,7-8,10-13,17,20,26,32H,6,9,14-16,18-19H2,1-3H3,(H,34,35)/b8-4+,10-7+,11-5+/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Kyoto Pharmaceutical Industries Curated by ChEMBL					Assay Description Inhibition of PTB1B using pNPP as substrate after 30 mins				Bioorg Med Chem 20: 1060-75 (2012) Article DOI: 10.1016/j.bmc.2011.11.035 BindingDB Entry DOI: 10.7270/Q2BC3ZZS
					More data for this Ligand-Target Pair