BDBM50542973 CHEMBL4643215

SMILES: Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccncc1

InChI Key: InChIKey=WKMCPMYROYSXNJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50542973   

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))	BDBM50542973 (CHEMBL4643215) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccncc1 Show InChI InChI=1S/C32H30ClN3O4/c1-21-25(8-5-9-27(21)24-10-12-35-13-11-24)20-40-30-16-29(39-19-23-7-4-6-22(14-23)17-34)26(15-28(30)33)18-36-32(2,3)31(37)38/h4-16,36H,18-20H2,1-3H3,(H,37,38)	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 C-terminal Ig-Fc-tagged PD1 (Leu25 to Gln167 residues) expressed in HEK293 cells/human C-terminal epitope-His-tagged PDL1 (Phe19 ...				J Med Chem 63: 8338-8358 (2020)
					More data for this Ligand-Target Pair
PD-1/PD-L1 (Homo sapiens-Homo sapiens (Human))	BDBM50542973 (CHEMBL4643215) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CNC(C)(C)C(O)=O)cc2Cl)cccc1-c1ccncc1 Show InChI InChI=1S/C32H30ClN3O4/c1-21-25(8-5-9-27(21)24-10-12-35-13-11-24)20-40-30-16-29(39-19-23-7-4-6-22(14-23)17-34)26(15-28(30)33)18-36-32(2,3)31(37)38/h4-16,36H,18-20H2,1-3H3,(H,37,38)	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