null

SMILES: Clc1cc(CNC[C@H]2CCC(=O)N2)c(OCc2cncc(c2)C#N)cc1O[C@H]1CCc2c1cccc2-c1cccc(OCCCN2CCC2)c1Cl

InChI Key: InChIKey=AYMRRFYKXREYBB-UYHPJTEGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 482537   

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
Programmed cell death 1 ligand 1 (Homo sapiens (Human))	BDBM482537 (US10919852, Compound TABLE 1.236 | US11708326, Com...) Show SMILES Clc1cc(CNC[C@H]2CCC(=O)N2)c(OCc2cncc(c2)C#N)cc1O[C@H]1CCc2c1cccc2-c1cccc(OCCCN2CCC2)c1Cl |r| Show InChI InChI=1S/C40H41Cl2N5O4/c41-34-18-28(23-45-24-29-9-12-39(48)46-29)37(50-25-27-17-26(20-43)21-44-22-27)19-38(34)51-35-11-10-31-30(5-1-6-32(31)35)33-7-2-8-36(40(33)42)49-16-4-15-47-13-3-14-47/h1-2,5-8,17-19,21-22,29,35,45H,3-4,9-16,23-25H2,(H,46,48)/t29-,35+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q22N56DJ
					More data for this Ligand-Target Pair
Programmed cell death protein 1 (Homo sapiens)	BDBM482537 (US10919852, Compound TABLE 1.236 | US11708326, Com...) Show SMILES Clc1cc(CNC[C@H]2CCC(=O)N2)c(OCc2cncc(c2)C#N)cc1O[C@H]1CCc2c1cccc2-c1cccc(OCCCN2CCC2)c1Cl |r| Show InChI InChI=1S/C40H41Cl2N5O4/c41-34-18-28(23-45-24-29-9-12-39(48)46-29)37(50-25-27-17-26(20-43)21-44-22-27)19-38(34)51-35-11-10-31-30(5-1-6-32(31)35)33-7-2-8-36(40(33)42)49-16-4-15-47-13-3-14-47/h1-2,5-8,17-19,21-22,29,35,45H,3-4,9-16,23-25H2,(H,46,48)/t29-,35+/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