BDBM50542945 CHEMBL4641441

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

InChI Key: InChIKey=XUVGXIRFSMZJHA-HHHXNRCGSA-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 = 50542945   

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))	BDBM50542945 (CHEMBL4641441) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CC[C@H](C3)C(O)=O)cc2Cl)cccc1-c1ccc2OCCOc2c1 |r| Show InChI InChI=1S/C36H33ClN2O6/c1-23-28(6-3-7-30(23)26-8-9-32-35(16-26)43-13-12-42-32)22-45-34-17-33(44-21-25-5-2-4-24(14-25)18-38)29(15-31(34)37)20-39-11-10-27(19-39)36(40)41/h2-9,14-17,27H,10-13,19-22H2,1H3,(H,40,41)/t27-/m1/s1	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