null

SMILES: COc1nc(cnc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc2c(CN3CC4(C3)CCC(=O)N4)cn(C)c2c1

InChI Key: InChIKey=BJUICITUCXCEGJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 452312   

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))	BDBM452312 (US10710986, Example 450 | US11555029, No. 450) Show SMILES COc1nc(cnc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc2c(CN3CC4(C3)CCC(=O)N4)cn(C)c2c1 Show InChI InChI=1S/C39H38Cl2N8O3/c1-47-16-24(17-48-19-38(20-48)11-9-32(50)45-38)36-31(47)13-23(14-43-36)25-5-3-6-26(34(25)40)27-7-4-8-28(35(27)41)29-15-42-30(37(44-29)52-2)18-49-21-39(22-49)12-10-33(51)46-39/h3-8,13-16H,9-12,17-22H2,1-2H3,(H,45,50)(H,46,51)	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))	BDBM452312 (US10710986, Example 450 | US11555029, No. 450) Show SMILES COc1nc(cnc1CN1CC2(C1)CCC(=O)N2)-c1cccc(c1Cl)-c1cccc(c1Cl)-c1cnc2c(CN3CC4(C3)CCC(=O)N4)cn(C)c2c1 Show InChI InChI=1S/C39H38Cl2N8O3/c1-47-16-24(17-48-19-38(20-48)11-9-32(50)45-38)36-31(47)13-23(14-43-36)25-5-3-6-26(34(25)40)27-7-4-8-28(35(27)41)29-15-42-30(37(44-29)52-2)18-49-21-39(22-49)12-10-33(51)46-39/h3-8,13-16H,9-12,17-22H2,1-2H3,(H,45,50)(H,46,51)	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