BDBM50542947 CHEMBL4640374

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

InChI Key: InChIKey=BMRGBLOPUXXPDE-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 = 50542947   

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))	BDBM50542947 (CHEMBL4640374) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC(C3)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C35H31ClN2O6/c1-22-26(6-3-7-29(22)25-8-9-31-34(14-25)42-11-10-41-31)21-44-33-15-32(43-20-24-5-2-4-23(12-24)16-37)27(13-30(33)36)17-38-18-28(19-38)35(39)40/h2-9,12-15,28H,10-11,17-21H2,1H3,(H,39,40)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	15	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