Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 625.1 BDBM482345

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

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))	BDBM482345 (US10919852, Compound TABLE 1.44 | US11708326, Comp...) Show SMILES CCOc1cc(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC(O)C3)c2C)c(Cl)cc1CN[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C34H41ClN2O7/c1-3-42-32-16-33(28(35)15-22(32)17-36-29(20-38)34(40)41)44-31-12-11-26-25(8-4-9-27(26)31)24-7-5-10-30(21(24)2)43-14-6-13-37-18-23(39)19-37/h4-5,7-10,15-16,23,29,31,36,38-39H,3,6,11-14,17-20H2,1-2H3,(H,40,41)/t29-,31-/m0/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)	BDBM482345 (US10919852, Compound TABLE 1.44 | US11708326, Comp...) Show SMILES CCOc1cc(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CC(O)C3)c2C)c(Cl)cc1CN[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C34H41ClN2O7/c1-3-42-32-16-33(28(35)15-22(32)17-36-29(20-38)34(40)41)44-31-12-11-26-25(8-4-9-27(26)31)24-7-5-10-30(21(24)2)43-14-6-13-37-18-23(39)19-37/h4-5,7-10,15-16,23,29,31,36,38-39H,3,6,11-14,17-20H2,1-2H3,(H,40,41)/t29-,31-/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
					More data for this Ligand-Target Pair