Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Programmed cell death 1 ligand 1' and Ligand = 'BDBM50239943'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50239943 (CHEMBL4099869 | US9872852, Example 8) Show SMILES Cc1c(COc2ccc(CN3CCCCC3C(O)=O)cc2Br)cccc1-c1ccccc1 Show InChI InChI=1S/C27H28BrNO3/c1-19-22(10-7-11-23(19)21-8-3-2-4-9-21)18-32-26-14-13-20(16-24(26)28)17-29-15-6-5-12-25(29)27(30)31/h2-4,7-11,13-14,16,25H,5-6,12,15,17-18H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Curated by ChEMBL					Assay Description Binding affinity to His-tagged PD-L1 (unknown origin) assessed as reduction in PD-L1/PD1-Ig interaction preincubated with PD-L1 for 15 mins followed ...				J Med Chem 60: 5857-5867 (2017) Article DOI: 10.1021/acs.jmedchem.7b00293 BindingDB Entry DOI: 10.7270/Q2765HHP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50239943 (CHEMBL4099869 | US9872852, Example 8) Show SMILES Cc1c(COc2ccc(CN3CCCCC3C(O)=O)cc2Br)cccc1-c1ccccc1 Show InChI InChI=1S/C27H28BrNO3/c1-19-22(10-7-11-23(19)21-8-3-2-4-9-21)18-32-26-14-13-20(16-24(26)28)17-29-15-6-5-12-25(29)27(30)31/h2-4,7-11,13-14,16,25H,5-6,12,15,17-18H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
Universidade de Lisboa Curated by ChEMBL					Assay Description Inhibition of PD-L1 (unknown origin)				J Med Chem 61: 10957-10975 (2018) Article DOI: 10.1021/acs.jmedchem.8b00541 BindingDB Entry DOI: 10.7270/Q2PZ5CHN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM50239943 (CHEMBL4099869 | US9872852, Example 8) Show SMILES Cc1c(COc2ccc(CN3CCCCC3C(O)=O)cc2Br)cccc1-c1ccccc1 Show InChI InChI=1S/C27H28BrNO3/c1-19-22(10-7-11-23(19)21-8-3-2-4-9-21)18-32-26-14-13-20(16-24(26)28)17-29-15-6-5-12-25(29)27(30)31/h2-4,7-11,13-14,16,25H,5-6,12,15,17-18H2,1H3,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	146	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals					Assay Description All binding studies were performed in an HTRF assay buffer consisting of dPBS supplemented with 0.1% (withv) bovine serum albumin and 0.05% (v/v) Twe...				J Med Chem 51: 4-16 (2008) BindingDB Entry DOI: 10.7270/Q2RN3B42
					More data for this Ligand-Target Pair				3D Structure (crystal)