null

SMILES: C[C@@H](CO)NCc1cnc2c(Nc3cccc(c3C)-c3cccc(-c4nc5cc(CN6CCC(CC6)C(O)=O)cc(C#N)c5o4)c3C)nc(C)nc2c1

InChI Key: InChIKey=HPSVVUAGIVJRDH-QHCPKHFHSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 446451   

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))	BDBM446451 ((S)-1-((7-cyano-2-(3′-(7-((1-hydroxypropan-2...) Show SMILES C[C@@H](CO)NCc1cnc2c(Nc3cccc(c3C)-c3cccc(-c4nc5cc(CN6CCC(CC6)C(O)=O)cc(C#N)c5o4)c3C)nc(C)nc2c1 |r| Show InChI InChI=1S/C41H42N8O4/c1-23(22-50)43-19-28-17-35-37(44-20-28)39(46-26(4)45-35)47-34-10-6-8-32(25(34)3)31-7-5-9-33(24(31)2)40-48-36-16-27(15-30(18-42)38(36)53-40)21-49-13-11-29(12-14-49)41(51)52/h5-10,15-17,20,23,29,43,50H,11-14,19,21-22H2,1-4H3,(H,51,52)(H,45,46,47)/t23-/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	<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))	BDBM446451 ((S)-1-((7-cyano-2-(3′-(7-((1-hydroxypropan-2...) Show SMILES C[C@@H](CO)NCc1cnc2c(Nc3cccc(c3C)-c3cccc(-c4nc5cc(CN6CCC(CC6)C(O)=O)cc(C#N)c5o4)c3C)nc(C)nc2c1 |r| Show InChI InChI=1S/C41H42N8O4/c1-23(22-50)43-19-28-17-35-37(44-20-28)39(46-26(4)45-35)47-34-10-6-8-32(25(34)3)31-7-5-9-33(24(31)2)40-48-36-16-27(15-30(18-42)38(36)53-40)21-49-13-11-29(12-14-49)41(51)52/h5-10,15-17,20,23,29,43,50H,11-14,19,21-22H2,1-4H3,(H,51,52)(H,45,46,47)/t23-/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	<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))	BDBM446451 ((S)-1-((7-cyano-2-(3′-(7-((1-hydroxypropan-2...) Show SMILES C[C@@H](CO)NCc1cnc2c(Nc3cccc(c3C)-c3cccc(-c4nc5cc(CN6CCC(CC6)C(O)=O)cc(C#N)c5o4)c3C)nc(C)nc2c1 |r| Show InChI InChI=1S/C41H42N8O4/c1-23(22-50)43-19-28-17-35-37(44-20-28)39(46-26(4)45-35)47-34-10-6-8-32(25(34)3)31-7-5-9-33(24(31)2)40-48-36-16-27(15-30(18-42)38(36)53-40)21-49-13-11-29(12-14-49)41(51)52/h5-10,15-17,20,23,29,43,50H,11-14,19,21-22H2,1-4H3,(H,51,52)(H,45,46,47)/t23-/m0/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))	BDBM446451 ((S)-1-((7-cyano-2-(3′-(7-((1-hydroxypropan-2...) Show SMILES C[C@@H](CO)NCc1cnc2c(Nc3cccc(c3C)-c3cccc(-c4nc5cc(CN6CCC(CC6)C(O)=O)cc(C#N)c5o4)c3C)nc(C)nc2c1 |r| Show InChI InChI=1S/C41H42N8O4/c1-23(22-50)43-19-28-17-35-37(44-20-28)39(46-26(4)45-35)47-34-10-6-8-32(25(34)3)31-7-5-9-33(24(31)2)40-48-36-16-27(15-30(18-42)38(36)53-40)21-49-13-11-29(12-14-49)41(51)52/h5-10,15-17,20,23,29,43,50H,11-14,19,21-22H2,1-4H3,(H,51,52)(H,45,46,47)/t23-/m0/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