BDBM50542957 CHEMBL4641838

SMILES: Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC(O)C3)cc2Cl)cccc1-c1ccccc1

InChI Key: InChIKey=RFYOAXHVILGALV-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 = 50542957   

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))	BDBM50542957 (CHEMBL4641838) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC(O)C3)cc2Cl)cccc1-c1ccccc1 Show InChI InChI=1S/C32H29ClN2O3/c1-22-26(11-6-12-29(22)25-9-3-2-4-10-25)21-38-32-15-31(37-20-24-8-5-7-23(13-24)16-34)27(14-30(32)33)17-35-18-28(36)19-35/h2-15,28,36H,17-21H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>100	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