BDBM50542938 CHEMBL4649236

SMILES: CN1CCN(Cc2cc(Cl)c(OCc3cccc(c3C)-c3ccc4OCCOc4c3)cc2OCc2cccc(c2)C#N)CC1

InChI Key: InChIKey=USBFQUGFJGOCIT-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 = 50542938   

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))	BDBM50542938 (CHEMBL4649236) Show SMILES CN1CCN(Cc2cc(Cl)c(OCc3cccc(c3C)-c3ccc4OCCOc4c3)cc2OCc2cccc(c2)C#N)CC1 Show InChI InChI=1S/C36H36ClN3O4/c1-25-29(7-4-8-31(25)28-9-10-33-36(19-28)42-16-15-41-33)24-44-35-20-34(43-23-27-6-3-5-26(17-27)21-38)30(18-32(35)37)22-40-13-11-39(2)12-14-40/h3-10,17-20H,11-16,22-24H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	225	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