BDBM50542966 CHEMBL4635932

SMILES: C[C@@H](O)[C@H](NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccccc2)cc1OCc1cccc(c1)C#N)C(O)=O

InChI Key: InChIKey=HQLXLYKMGOZHJV-KCEHZKJRSA-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 = 50542966   

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))	BDBM50542966 (CHEMBL4635932) Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(OCc2cccc(c2C)-c2ccccc2)cc1OCc1cccc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C33H31ClN2O5/c1-21-26(12-7-13-28(21)25-10-4-3-5-11-25)20-41-31-16-30(40-19-24-9-6-8-23(14-24)17-35)27(15-29(31)34)18-36-32(22(2)37)33(38)39/h3-16,22,32,36-37H,18-20H2,1-2H3,(H,38,39)/t22-,32+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	9	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