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SMILES: COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cc(C)c(CN2C[C@@H]3CCC[C@@]3(C2)C(O)=O)c(OC)n1

InChI Key: InChIKey=HYMMTBKMYFFQMC-QJLCWVOHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 452514   

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/protein 1 (Homo sapiens-Homo sapiens (Human))	BDBM452514 (US10710986, Example 655 | US11555029, No. 655) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cc(C)c(CN2C[C@@H]3CCC[C@@]3(C2)C(O)=O)c(OC)n1 |r| Show InChI InChI=1S/C39H42Cl2N6O5/c1-22-15-30(45-36(51-2)29(22)20-47-19-23-7-6-14-39(23,21-47)38(49)50)27-10-4-8-25(34(27)40)26-9-5-11-28(35(26)41)31-18-43-32(37(46-31)52-3)17-42-16-24-12-13-33(48)44-24/h4-5,8-11,15,18,23-24,42H,6-7,12-14,16-17,19-21H2,1-3H3,(H,44,48)(H,49,50)/t23-,24-,39-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27329
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM452514 (US10710986, Example 655 | US11555029, No. 655) Show SMILES COc1nc(cnc1CNC[C@@H]1CCC(=O)N1)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cc(C)c(CN2C[C@@H]3CCC[C@@]3(C2)C(O)=O)c(OC)n1 |r| Show InChI InChI=1S/C39H42Cl2N6O5/c1-22-15-30(45-36(51-2)29(22)20-47-19-23-7-6-14-39(23,21-47)38(49)50)27-10-4-8-25(34(27)40)26-9-5-11-28(35(26)41)31-18-43-32(37(46-31)52-3)17-42-16-24-12-13-33(48)44-24/h4-5,8-11,15,18,23-24,42H,6-7,12-14,16-17,19-21H2,1-3H3,(H,44,48)(H,49,50)/t23-,24-,39-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0640	n/a	n/a	n/a	n/a	n/a	n/a
Gilead Sciences, Inc. US Patent					Assay Description Compounds were tested in biochemical protein-protein interaction assays to determine if they can specifically block the interaction between the extra...				US Patent US10710986 (2020) BindingDB Entry DOI: 10.7270/Q28S4SZM
					More data for this Ligand-Target Pair