null

SMILES: Cc1c(Nc2nc(N)nc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CCC(CC4)C(O)=O)cc(C#N)c3o2)c1C

InChI Key: InChIKey=FKXSQBPXYLKXMF-GDLZYMKVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 446476   

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))	BDBM446476 ((R)-1-((2-(3′-(2-amino-7-((3-hydroxypyrrolid...) Show SMILES Cc1c(Nc2nc(N)nc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CCC(CC4)C(O)=O)cc(C#N)c3o2)c1C |r| Show InChI InChI=1S/C41H41N9O4/c1-23-30(5-3-7-32(23)39-46-35-16-25(15-28(18-42)37(35)54-39)20-49-12-9-27(10-13-49)40(52)53)31-6-4-8-33(24(31)2)45-38-36-34(47-41(43)48-38)17-26(19-44-36)21-50-14-11-29(51)22-50/h3-8,15-17,19,27,29,51H,9-14,20-22H2,1-2H3,(H,52,53)(H3,43,45,47,48)/t29-/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))	BDBM446476 ((R)-1-((2-(3′-(2-amino-7-((3-hydroxypyrrolid...) Show SMILES Cc1c(Nc2nc(N)nc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CCC(CC4)C(O)=O)cc(C#N)c3o2)c1C |r| Show InChI InChI=1S/C41H41N9O4/c1-23-30(5-3-7-32(23)39-46-35-16-25(15-28(18-42)37(35)54-39)20-49-12-9-27(10-13-49)40(52)53)31-6-4-8-33(24(31)2)45-38-36-34(47-41(43)48-38)17-26(19-44-36)21-50-14-11-29(51)22-50/h3-8,15-17,19,27,29,51H,9-14,20-22H2,1-2H3,(H,52,53)(H3,43,45,47,48)/t29-/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))	BDBM446476 ((R)-1-((2-(3′-(2-amino-7-((3-hydroxypyrrolid...) Show SMILES Cc1c(Nc2nc(N)nc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CCC(CC4)C(O)=O)cc(C#N)c3o2)c1C |r| Show InChI InChI=1S/C41H41N9O4/c1-23-30(5-3-7-32(23)39-46-35-16-25(15-28(18-42)37(35)54-39)20-49-12-9-27(10-13-49)40(52)53)31-6-4-8-33(24(31)2)45-38-36-34(47-41(43)48-38)17-26(19-44-36)21-50-14-11-29(51)22-50/h3-8,15-17,19,27,29,51H,9-14,20-22H2,1-2H3,(H,52,53)(H3,43,45,47,48)/t29-/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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM446476 ((R)-1-((2-(3′-(2-amino-7-((3-hydroxypyrrolid...) Show SMILES Cc1c(Nc2nc(N)nc3cc(CN4CC[C@@H](O)C4)cnc23)cccc1-c1cccc(-c2nc3cc(CN4CCC(CC4)C(O)=O)cc(C#N)c3o2)c1C |r| Show InChI InChI=1S/C41H41N9O4/c1-23-30(5-3-7-32(23)39-46-35-16-25(15-28(18-42)37(35)54-39)20-49-12-9-27(10-13-49)40(52)53)31-6-4-8-33(24(31)2)45-38-36-34(47-41(43)48-38)17-26(19-44-36)21-50-14-11-29(51)22-50/h3-8,15-17,19,27,29,51H,9-14,20-22H2,1-2H3,(H,52,53)(H3,43,45,47,48)/t29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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 U2OS/PD-L1 cells (DiscoveRx Corporation) were maintained in McCoy's 5A medium with addition of 10% FBS, 0.25 μg/ml Puromycin. After removing...				US Patent US10669271 (2020) BindingDB Entry DOI: 10.7270/Q2MG7SJC
					More data for this Ligand-Target Pair