BDBM324758 US10189840, Example 4

SMILES: Cc1ccc(C)c(c1)C1CC(O)c2nc3ccc(nc3n12)-c1ccc(cc1)C(C)(C)O

InChI Key: InChIKey=HFVDAIWVGPDAOQ-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 = 324758   

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
Tumor necrosis factor (Homo sapiens (Human))	BDBM324758 (US10189840, Example 4) Show SMILES Cc1ccc(C)c(c1)C1CC(O)c2nc3ccc(nc3n12)-c1ccc(cc1)C(C)(C)O |w:8.8,10.11| Show InChI InChI=1S/C26H27N3O2/c1-15-5-6-16(2)19(13-15)22-14-23(30)25-28-21-12-11-20(27-24(21)29(22)25)17-7-9-18(10-8-17)26(3,4)31/h5-13,22-23,30-31H,14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Test compounds serially diluted in DMSO were plated in an assay plate (Labcyte, Cat. #LP-0200) at final concentrations ranging from 0.004 μM to ...				US Patent US10189840 (2019) BindingDB Entry DOI: 10.7270/Q26H4KHX
					More data for this Ligand-Target Pair