BDBM50542940 CHEMBL4639047

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

InChI Key: InChIKey=VCINJGPTJBYPJH-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 = 50542940   

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))	BDBM50542940 (CHEMBL4639047) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNCCNC(=O)OC(C)(C)C)cc2Cl)cccc1-c1ccc2OCCOc2c1 Show InChI InChI=1S/C38H40ClN3O6/c1-25-29(9-6-10-31(25)28-11-12-33-36(19-28)45-16-15-44-33)24-47-35-20-34(46-23-27-8-5-7-26(17-27)21-40)30(18-32(35)39)22-41-13-14-42-37(43)48-38(2,3)4/h5-12,17-20,41H,13-16,22-24H2,1-4H3,(H,42,43)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	56	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