BDBM50542951 CHEMBL4639656

SMILES: Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC(O)C(CO)C3)cc2Cl)cccc1-c1ccc2OCCOc2c1

InChI Key: InChIKey=HQGSDLPFDSFMOE-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 = 50542951   

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
PD-1/PD-L1 (Homo sapiens-Homo sapiens (Human))	BDBM50542951 (CHEMBL4639656) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC(O)C(CO)C3)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C36H35ClN2O6/c1-23-27(6-3-7-30(23)26-8-9-33-36(14-26)43-11-10-42-33)22-45-35-15-34(44-21-25-5-2-4-24(12-25)16-38)28(13-31(35)37)17-39-18-29(20-40)32(41)19-39/h2-9,12-15,29,32,40-41H,10-11,17-22H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Southern Medical University Curated by ChEMBL					Assay Description Inhibition of human PD1/PDL1 protein-protein interaction by HTRF assay				J Med Chem 63: 8338-8358 (2020)
					More data for this Ligand-Target Pair