Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 647.2 BDBM482713

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))	BDBM482713 (US10919852, Compound TABLE 1.412 | US11708326, Com...) Show SMILES CCOc1cc(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC3(C)C)c2C)c(Cl)cc1CN1CC[C@@H](C1)C(O)=O |r| Show InChI InChI=1S/C38H47ClN2O5/c1-5-44-35-22-36(32(39)21-27(35)24-40-18-15-26(23-40)37(42)43)46-34-14-13-30-29(10-6-11-31(30)34)28-9-7-12-33(25(28)2)45-20-8-17-41-19-16-38(41,3)4/h6-7,9-12,21-22,26,34H,5,8,13-20,23-24H2,1-4H3,(H,42,43)/t26-,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	253	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)	BDBM482713 (US10919852, Compound TABLE 1.412 | US11708326, Com...) Show SMILES CCOc1cc(O[C@H]2CCc3c2cccc3-c2cccc(OCCCN3CCC3(C)C)c2C)c(Cl)cc1CN1CC[C@@H](C1)C(O)=O |r| Show InChI InChI=1S/C38H47ClN2O5/c1-5-44-35-22-36(32(39)21-27(35)24-40-18-15-26(23-40)37(42)43)46-34-14-13-30-29(10-6-11-31(30)34)28-9-7-12-33(25(28)2)45-20-8-17-41-19-16-38(41,3)4/h6-7,9-12,21-22,26,34H,5,8,13-20,23-24H2,1-4H3,(H,42,43)/t26-,34-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	253	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