BDBM50542971 CHEMBL4637999

SMILES: Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCCC[C@@H]3C(O)=O)cc2Cl)cccc1-c1ccncc1

InChI Key: InChIKey=VEURWADMXHMUAU-WJOKGBTCSA-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 = 50542971   

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))	BDBM50542971 (CHEMBL4637999) Show SMILES Cc1c(COc2cc(OCc3cccc(c3)C#N)c(CN3CCCC[C@@H]3C(O)=O)cc2Cl)cccc1-c1ccncc1 |r| Show InChI InChI=1S/C34H32ClN3O4/c1-23-27(8-5-9-29(23)26-11-13-37-14-12-26)22-42-33-18-32(41-21-25-7-4-6-24(16-25)19-36)28(17-30(33)35)20-38-15-3-2-10-31(38)34(39)40/h4-9,11-14,16-18,31H,2-3,10,15,20-22H2,1H3,(H,39,40)/t31-/m1/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