BDBM50542948 CHEMBL4648574

SMILES: Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNCCN)cc2Cl)cccc1-c1ccc2OCCOc2c1

InChI Key: InChIKey=IYBMSLPWRMJPKH-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 = 50542948   

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))	BDBM50542948 (CHEMBL4648574) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNCCN)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C33H32ClN3O4/c1-22-26(6-3-7-28(22)25-8-9-30-33(16-25)39-13-12-38-30)21-41-32-17-31(27(15-29(32)34)19-37-11-10-35)40-20-24-5-2-4-23(14-24)18-36/h2-9,14-17,37H,10-13,19-21,35H2,1H3	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