BDBM50542930 CHEMBL4648618

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

InChI Key: InChIKey=LERJZZSSYSXAKE-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 = 50542930   

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))	BDBM50542930 (CHEMBL4648618) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C35H33ClN2O6/c1-22-26(8-5-9-28(22)25-10-11-30-33(16-25)42-13-12-41-30)21-44-32-17-31(43-20-24-7-4-6-23(14-24)18-37)27(15-29(32)36)19-38-35(2,3)34(39)40/h4-11,14-17,38H,12-13,19-21H2,1-3H3,(H,39,40)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	25	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