null

SMILES: CN(C)C(=O)C1CCN(Cc2cc(C#N)c3oc(nc3c2)-c2cccc(c2C)-c2cccc(Nc3nc(nc4cc(CN5CC[C@@H](O)C5)cnc34)C(F)F)c2C)CC1

InChI Key: InChIKey=XVDUIQVEXAEQBB-WJOKGBTCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 446472   

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 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM446472 ((R)-1-((7-cyano-2-(3′-(2-(difluoromethyl)-7-...) Show SMILES CN(C)C(=O)C1CCN(Cc2cc(C#N)c3oc(nc3c2)-c2cccc(c2C)-c2cccc(Nc3nc(nc4cc(CN5CC[C@@H](O)C5)cnc34)C(F)F)c2C)CC1 |r| Show InChI InChI=1S/C44H45F2N9O3/c1-25-32(7-5-9-34(25)43-51-37-18-27(17-30(20-47)39(37)58-43)22-54-14-11-29(12-15-54)44(57)53(3)4)33-8-6-10-35(26(33)2)49-41-38-36(50-42(52-41)40(45)46)19-28(21-48-38)23-55-16-13-31(56)24-55/h5-10,17-19,21,29,31,40,56H,11-16,22-24H2,1-4H3,(H,49,50,52)/t31-/m1/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	<10	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation US Patent					Assay Description The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...				US Patent US10669271 (2020) BindingDB Entry DOI: 10.7270/Q2MG7SJC
					More data for this Ligand-Target Pair
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM446472 ((R)-1-((7-cyano-2-(3′-(2-(difluoromethyl)-7-...) Show SMILES CN(C)C(=O)C1CCN(Cc2cc(C#N)c3oc(nc3c2)-c2cccc(c2C)-c2cccc(Nc3nc(nc4cc(CN5CC[C@@H](O)C5)cnc34)C(F)F)c2C)CC1 |r| Show InChI InChI=1S/C44H45F2N9O3/c1-25-32(7-5-9-34(25)43-51-37-18-27(17-30(20-47)39(37)58-43)22-54-14-11-29(12-15-54)44(57)53(3)4)33-8-6-10-35(26(33)2)49-41-38-36(50-42(52-41)40(45)46)19-28(21-48-38)23-55-16-13-31(56)24-55/h5-10,17-19,21,29,31,40,56H,11-16,22-24H2,1-4H3,(H,49,50,52)/t31-/m1/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	<10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assays were conducted in a standard black 384-well polystyrene plate with a final volume of 20 μL. Inhibitors were first serially diluted in...				Citation and Details BindingDB Entry DOI: 10.7270/Q2VT1W8C
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit (Homo sapiens (Human))	BDBM446472 ((R)-1-((7-cyano-2-(3′-(2-(difluoromethyl)-7-...) Show SMILES CN(C)C(=O)C1CCN(Cc2cc(C#N)c3oc(nc3c2)-c2cccc(c2C)-c2cccc(Nc3nc(nc4cc(CN5CC[C@@H](O)C5)cnc34)C(F)F)c2C)CC1 |r| Show InChI InChI=1S/C44H45F2N9O3/c1-25-32(7-5-9-34(25)43-51-37-18-27(17-30(20-47)39(37)58-43)22-54-14-11-29(12-15-54)44(57)53(3)4)33-8-6-10-35(26(33)2)49-41-38-36(50-42(52-41)40(45)46)19-28(21-48-38)23-55-16-13-31(56)24-55/h5-10,17-19,21,29,31,40,56H,11-16,22-24H2,1-4H3,(H,49,50,52)/t31-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a
Incyte Corporation US Patent					Assay Description PD-L1 aAPC/CHO-Klcells (Promega) were maintained in F-12 medium with addition of 10% FBS, 200 μg/ml Hygromycin B, 250 μg/ml Geneticin (G418...				US Patent US10669271 (2020) BindingDB Entry DOI: 10.7270/Q2MG7SJC
					More data for this Ligand-Target Pair