Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Programmed cell death protein 1' and Ligand = 'BDBM482305'   

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)	BDBM482305 (US10919852, Compound TABLE 1.4 | US10919852, Compo...) Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC(O)CC3)c2C)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C42H47ClN4O7/c1-26-32(6-4-9-37(26)52-17-5-14-47-15-12-31(49)13-16-47)33-7-3-8-35-34(33)10-11-38(35)54-40-20-39(53-25-29-18-28(21-44)22-45-23-29)30(19-36(40)43)24-46-41(27(2)48)42(50)51/h3-4,6-9,18-20,22-23,27,31,38,41,46,48-49H,5,10-17,24-25H2,1-2H3,(H,50,51)/t27-,38+,41+/m1/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
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM482305 (US10919852, Compound TABLE 1.4 | US10919852, Compo...) Show SMILES C[C@@H](O)[C@H](NCc1cc(Cl)c(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC(O)CC3)c2C)cc1OCc1cncc(c1)C#N)C(O)=O |r| Show InChI InChI=1S/C42H47ClN4O7/c1-26-32(6-4-9-37(26)52-17-5-14-47-15-12-31(49)13-16-47)33-7-3-8-35-34(33)10-11-38(35)54-40-20-39(53-25-29-18-28(21-44)22-45-23-29)30(19-36(40)43)24-46-41(27(2)48)42(50)51/h3-4,6-9,18-20,22-23,27,31,38,41,46,48-49H,5,10-17,24-25H2,1-2H3,(H,50,51)/t27-,38+,41+/m1/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
					More data for this Ligand-Target Pair