BDBM50542972 CHEMBL4648391

SMILES: Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN[C@@H](CO)C(O)=O)cc2Cl)cccc1-c1ccncc1

InChI Key: InChIKey=JGDNHJUPUALXCY-NDEPHWFRSA-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 = 50542972   

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))	BDBM50542972 (CHEMBL4648391) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN[C@@H](CO)C(O)=O)cc2Cl)cccc1-c1ccncc1 |r| Show InChI InChI=1S/C31H28ClN3O5/c1-20-24(6-3-7-26(20)23-8-10-34-11-9-23)19-40-30-14-29(39-18-22-5-2-4-21(12-22)15-33)25(13-27(30)32)16-35-28(17-36)31(37)38/h2-14,28,35-36H,16-19H2,1H3,(H,37,38)/t28-/m0/s1	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