Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Programmed cell death protein 1' and Ligand = 'BDBM482366'   

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)	BDBM482366 (US10919852, Compound TABLE 1.65 | US11708326, Comp...) Show SMILES Cc1c(OCCCN2CCC(O)CC2)cccc1-c1cccc2[C@H](CCc12)Oc1cc(OCc2cncc(c2)C#N)c(CNCc2cn(C)cn2)cc1Cl |r| Show InChI InChI=1S/C43H47ClN6O4/c1-29-35(6-4-9-40(29)52-17-5-14-50-15-12-34(51)13-16-50)36-7-3-8-38-37(36)10-11-41(38)54-43-20-42(53-27-31-18-30(21-45)22-46-23-31)32(19-39(43)44)24-47-25-33-26-49(2)28-48-33/h3-4,6-9,18-20,22-23,26,28,34,41,47,51H,5,10-17,24-25,27H2,1-2H3/t41-/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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