BDBM50091329 CHEMBL3582257::US9872852, Example 196

SMILES: COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNC(CO)(CO)CO

InChI Key: InChIKey=FBYCPLYEOZCMPR-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50091329   

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
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50091329 (CHEMBL3582257 | US9872852, Example 196) Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNC(CO)(CO)CO Show InChI InChI=1S/C27H33NO6/c1-19-21(10-7-11-23(19)20-8-5-4-6-9-20)15-34-22-12-25(32-2)24(26(13-22)33-3)14-28-27(16-29,17-30)18-31/h4-13,28-31H,14-18H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...				J Med Chem 51: 4-16 (2008) BindingDB Entry DOI: 10.7270/Q2RN3B42
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50091329 (CHEMBL3582257 | US9872852, Example 196) Show SMILES COc1cc(OCc2cccc(c2C)-c2ccccc2)cc(OC)c1CNC(CO)(CO)CO Show InChI InChI=1S/C27H33NO6/c1-19-21(10-7-11-23(19)20-8-5-4-6-9-20)15-34-22-12-25(32-2)24(26(13-22)33-3)14-28-27(16-29,17-30)18-31/h4-13,28-31H,14-18H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL					Assay Description Binding affinity to His-tagged PD-L1 (unknown origin) assessed as inhibition of interaction with PD1 preincubated for 15 mins followed by PD1 additio...				ACS Med Chem Lett 6: 489-90 (2015) Article DOI: 10.1021/acsmedchemlett.5b00148 BindingDB Entry DOI: 10.7270/Q2445P63
					More data for this Ligand-Target Pair