Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Programmed cell death protein 1' and Ligand = 'BDBM482569'   

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 protein 1 (Homo sapiens)	BDBM482569 (US10919852, Compound TABLE 1.268 | US11708326, Com...) Show SMILES Cc1c(OCCCN2CCCCC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CNC[C@@H]2CCC(=O)N2)cc1Cl |r| Show InChI InChI=1S/C43H48ClN5O4/c1-29-34(8-6-11-39(29)51-19-7-18-49-16-3-2-4-17-49)35-9-5-10-37-36(35)13-14-40(37)53-42-22-41(52-28-31-20-30(23-45)24-46-25-31)32(21-38(42)44)26-47-27-33-12-15-43(50)48-33/h5-6,8-11,20-22,24-25,33,40,47H,2-4,7,12-19,26-28H2,1H3,(H,48,50)/t33-,40-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
ChemoCentryx, Inc. US Patent					Assay Description 96 Well plates were coated with 1 g/mL of human PD-L1 (obtained from R&D) in PBS overnight at 4° C. The wells were then blocked with 2% BSA in PBS (W...				US Patent US10919852 (2021) BindingDB Entry DOI: 10.7270/Q2RF5Z3R
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