BDBM50198018 10,16-bis(hydroxymethyl)-4,14,18-triazaheptacyclo[12.10.2.0^{2,6}.0^{7,26}.0^{8,13}.0^{18,25}.0^{19,24}]hexacosa-1(25),2(6),7(26),8,10,12,19(24),20,22-nonaen-3-one::CHEMBL234936

SMILES: OCC1Cn2c3ccccc3c3c4C(=O)NCc4c4c5cc(CO)ccc5n(C1)c4c23

InChI Key: InChIKey=YBOHKHOOGLAEEN-UHFFFAOYSA-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 = 50198018   

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 kinase JAK3 (Homo sapiens (Human))	BDBM50198018 (10,16-bis(hydroxymethyl)-4,14,18-triazaheptacyclo[...) Show SMILES OCC1Cn2c3ccccc3c3c4C(=O)NCc4c4c5cc(CO)ccc5n(C1)c4c23 |w:2.1| Show InChI InChI=1S/C25H21N3O3/c29-11-13-5-6-19-16(7-13)20-17-8-26-25(31)22(17)21-15-3-1-2-4-18(15)27-9-14(12-30)10-28(19)23(20)24(21)27/h1-7,14,29-30H,8-12H2,(H,26,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson & Johnson Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Inhibition of JAK3 expressed in Sf21 cells				Bioorg Med Chem Lett 17: 326-31 (2007) Article DOI: 10.1016/j.bmcl.2006.10.062 BindingDB Entry DOI: 10.7270/Q2JH3KTP
					More data for this Ligand-Target Pair