null

SMILES: Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CC[C@H](C5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@@](C)(O)C3)cc2n1

InChI Key: InChIKey=RBIRYSWFJHPWOM-LIIBOVGXSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 446454   

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))	BDBM446454 ((R)-1-((7-cyano-2-(3′-(7-(((R)-3-hydroxy-3-m...) Show SMILES Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CC[C@H](C5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@@](C)(O)C3)cc2n1 |r| Show InChI InChI=1S/C42H42N8O4/c1-24-31(7-5-9-33(24)40-48-36-16-27(15-30(18-43)38(36)54-40)20-49-13-11-29(22-49)41(51)52)32-8-6-10-34(25(32)2)47-39-37-35(45-26(3)46-39)17-28(19-44-37)21-50-14-12-42(4,53)23-50/h5-10,15-17,19,29,53H,11-14,20-23H2,1-4H3,(H,51,52)(H,45,46,47)/t29-,42-/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
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM446454 ((R)-1-((7-cyano-2-(3′-(7-(((R)-3-hydroxy-3-m...) Show SMILES Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CC[C@H](C5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@@](C)(O)C3)cc2n1 |r| Show InChI InChI=1S/C42H42N8O4/c1-24-31(7-5-9-33(24)40-48-36-16-27(15-30(18-43)38(36)54-40)20-49-13-11-29(22-49)41(51)52)32-8-6-10-34(25(32)2)47-39-37-35(45-26(3)46-39)17-28(19-44-37)21-50-14-12-42(4,53)23-50/h5-10,15-17,19,29,53H,11-14,20-23H2,1-4H3,(H,51,52)(H,45,46,47)/t29-,42-/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
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM446454 ((R)-1-((7-cyano-2-(3′-(7-(((R)-3-hydroxy-3-m...) Show SMILES Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CC[C@H](C5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@@](C)(O)C3)cc2n1 |r| Show InChI InChI=1S/C42H42N8O4/c1-24-31(7-5-9-33(24)40-48-36-16-27(15-30(18-43)38(36)54-40)20-49-13-11-29(22-49)41(51)52)32-8-6-10-34(25(32)2)47-39-37-35(45-26(3)46-39)17-28(19-44-37)21-50-14-12-42(4,53)23-50/h5-10,15-17,19,29,53H,11-14,20-23H2,1-4H3,(H,51,52)(H,45,46,47)/t29-,42-/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
Programmed cell death 1 ligand 1 [19-238]/protein 1 [25-167] (Homo sapiens (Human))	BDBM446454 ((R)-1-((7-cyano-2-(3′-(7-(((R)-3-hydroxy-3-m...) Show SMILES Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CC[C@H](C5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@@](C)(O)C3)cc2n1 |r| Show InChI InChI=1S/C42H42N8O4/c1-24-31(7-5-9-33(24)40-48-36-16-27(15-30(18-43)38(36)54-40)20-49-13-11-29(22-49)41(51)52)32-8-6-10-34(25(32)2)47-39-37-35(45-26(3)46-39)17-28(19-44-37)21-50-14-12-42(4,53)23-50/h5-10,15-17,19,29,53H,11-14,20-23H2,1-4H3,(H,51,52)(H,45,46,47)/t29-,42-/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))	BDBM446454 ((R)-1-((7-cyano-2-(3′-(7-(((R)-3-hydroxy-3-m...) Show SMILES Cc1nc(Nc2cccc(c2C)-c2cccc(-c3nc4cc(CN5CC[C@H](C5)C(O)=O)cc(C#N)c4o3)c2C)c2ncc(CN3CC[C@@](C)(O)C3)cc2n1 |r| Show InChI InChI=1S/C42H42N8O4/c1-24-31(7-5-9-33(24)40-48-36-16-27(15-30(18-43)38(36)54-40)20-49-13-11-29(22-49)41(51)52)32-8-6-10-34(25(32)2)47-39-37-35(45-26(3)46-39)17-28(19-44-37)21-50-14-12-42(4,53)23-50/h5-10,15-17,19,29,53H,11-14,20-23H2,1-4H3,(H,51,52)(H,45,46,47)/t29-,42-/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