BDBM50542962 CHEMBL4649775

SMILES: Cc1c(COc2cc(OCc3cccc(c3)C#N)c(\C=N\C(CS)C(O)=O)cc2Cl)cccc1-c1ccccc1

InChI Key: InChIKey=KTNFKHQYIHAKGS-XJECJHNESA-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 = 50542962   

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))	BDBM50542962 (CHEMBL4649775) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(\C=N\C(CS)C(O)=O)cc2Cl)cccc1-c1ccccc1 Show InChI InChI=1S/C32H27ClN2O4S/c1-21-25(11-6-12-27(21)24-9-3-2-4-10-24)19-39-31-15-30(38-18-23-8-5-7-22(13-23)16-34)26(14-28(31)33)17-35-29(20-40)32(36)37/h2-15,17,29,40H,18-20H2,1H3,(H,36,37)/b35-17+	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