Compile Data Set for Download or QSAR

Found 448 hits of ic50 data for polymerid = 87   

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
Interleukin-1 beta (Homo sapiens (Human))	BDBM531296 (US11208399, Example 53) Show SMILES CN1CCC[C@H](C1)Nc1cc(c(nn1)-c1ccc(cc1O)C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531223 ((R)-2-(4-Methyl-6-((1-methylpiperidin-3-yl)amino)p...) Show SMILES CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM65497 (CC-220 (Compound 6) | US9694015, 6.4S) Show SMILES O=C1N(Cc2c1cccc2OCc1ccc(CN2CCOCC2)cc1)[C@H]1CCC(=O)NC1=O Show InChI InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	US Patent	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	37
Celgene Corporation US Patent					Assay Description The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a ⿿20° C. freezer p...				US Patent US9694015 (2017) BindingDB Entry DOI: 10.7270/Q2R49NZN
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531253 (US11208399, Example 12) Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531331 (US11208399, Example 82) Show SMILES CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(OC(F)(F)F)cc1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531332 (US11208399, Example 83a) Show SMILES Cc1cc(OC(F)(F)F)cc(O)c1-c1ccc(N[C@@H]2CCCN3CCC[C@H]23)nn1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531288 (US11208399, Example 47) Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(C)cc1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531289 (US11208399, Example 48) Show SMILES CN1CCC[C@H](C1)Nc1nnc(c(C)c1C)-c1ccc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531319 (US11208399, Example 71) Show SMILES CN1CCC[C@H](C1)Nc1cc(C)c(nn1)-c1ccc(Cl)cc1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531220 ((R)-2-(6-((1-Ethylpiperidin-3-yl)amino)pyridazin-3...) Show SMILES CCN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM77001 (3-(4-((4-(morpholinomethyl)benzyl)-oxy)-1-oxoisoin...) Show SMILES O=C1N(Cc2c1cccc2OCc1ccc(CN2CCOCC2)cc1)C1CCC(=O)NC1=O Show InChI InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	37
Celgene Corporation US Patent					Assay Description The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a ⿿20° C. freezer p...				US Patent US9694015 (2017) BindingDB Entry DOI: 10.7270/Q2R49NZN
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531230 (US11208399, Example 6) Show SMILES Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CCCN(CCO)C2)nn1)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531254 (US11208399, Example 13) Show SMILES Cc1cc(nnc1N[C@@H]1CCCN(CCO)C1)-c1c(C)cc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531337 (3-Methyl-2-(6-(((1R,2R,5R)-8-methyl-8-azabicyclo[3...) Show SMILES CN1C2CCC1C(CC2)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |TLB:0:1:6.7.8:3.4,THB:9:6:1:3.4| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531252 (US11208399, Example 11) Show SMILES CCN1CCC[C@H](C1)Nc1nnc(cc1C#N)-c1c(C)cc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531354 (2-(6-(((3S, 5S)-5-Fluoro-1-methylpiperidin-3-yl)am...) Show SMILES CN1C[C@@H](F)C[C@@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531291 (US11208399, Example 49) Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(cc1Cl)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531339 (2-(6-(((1S,2S,5S)-8-(2-Hydroxyethyl)-8-azabicyclo[...) Show SMILES Cc1cc(cc(O)c1-c1ccc(NC2CCC3CCC2N3CCO)nn1)C(F)(F)F |TLB:12:13:20:17.18,THB:21:20:13.14.15:17.18| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531364 ((R)-2-(6-((1-Ethylpiperidin-3-yl)amino)-5-methylpy...) Show SMILES CCN1CCC[C@H](C1)Nc1nnc(cc1C)-c1c(C)cc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531232 (US11208399, Example 7) Show SMILES CC(C)N1CCCC(C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531292 (US11208399, Example 50) Show SMILES CN1CCC[C@H](C1)Nc1cc(c(nn1)-c1ccc(C)cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531293 (US11208399, Example 51) Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(Cl)cc1C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531323 (US11208399, Example 74) Show SMILES Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CCCNC2)nn1)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531224 ((R)-3-Methyl-2-(5-methyl-6-((1-methylpiperidin-3-y...) Show SMILES CN1CCC[C@H](C1)Nc1nnc(cc1C)-c1c(C)cc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531282 (US11208399, Example 41) Show SMILES Cc1cc(cc(O)c1-c1ccc(NC2CCC(NC2)C(O)=O)nn1)C(F)(F)F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531286 (US11208399, Example 45) Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(Cl)cc1Cl |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531279 (US11208399, Example 39) Show SMILES CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(O)cc(cc1C(F)(F)F)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531350 (2-(6-(((R)-1-((S)-2-Hydroxypropyl)piperidin-3-yl)a...) Show SMILES C[C@H](O)CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531318 (US11208399, Example 70) Show SMILES CN1CCC[C@H](C1)Nc1cc(c(nn1)-c1ccc(Cl)cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531351 (2-(6-(((R)-1-((R)-2-Hydroxypropyl)piperidin-3-yl)a...) Show SMILES C[C@@H](O)CN1CCC[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531329 (US11208399, Example 80) Show SMILES Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CCCN(CC(C)(C)O)C2)nn1)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531310 (US11208399, Example 64) Show SMILES CN1CCC[C@H](C1)Nc1nnc(cc1C(F)(F)F)-c1c(C)cc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531363 ((R)-3-Methyl-2-(5-methyl-6-(piperidin-3-ylamino)py...) Show SMILES Cc1cc(nnc1N[C@@H]1CCCNC1)-c1c(C)cc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM77015 ((R)-3-(4-((4-(morpholinomethyl)benzyl)-oxy)-1-oxoi...) Show SMILES O=C1N(Cc2c1cccc2OCc1ccc(CN2CCOCC2)cc1)[C@@H]1CCC(=O)NC1=O |r| Show InChI InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	37
Celgene Corporation US Patent					Assay Description The Fix buffer I was warmed up to 37° C. in an incubator or water bath prior to use. The Perm Buffer III was chilled in a ⿿20° C. freezer p...				US Patent US9694015 (2017) BindingDB Entry DOI: 10.7270/Q2R49NZN
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531340 (2-(6-(((3R,6R)-6-(Hydroxymethyl)-1-methylpiperidin...) Show SMILES CN1C[C@H](CC[C@@H]1CO)Nc1ccc(nn1)-c1c(C)cc(OC(F)(F)F)cc1O Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531352 (2-(6-(((3S,5S)-5-Fluoropiperidin-3-yl)amino)pyrida...) Show SMILES Cc1cc(cc(O)c1-c1ccc(N[C@@H]2CNC[C@@H](F)C2)nn1)C(F)(F)F Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531280 (US11208399, Example 40) Show SMILES CN1CCC[C@H](C1)Nc1nnc(c(C)c1C)-c1c(C)cc(cc1O)C(F)(F)F |r,wD:5.7,(8,-3.36,;6.67,-2.59,;6.67,-1.05,;5.33,-.28,;4,-1.05,;4,-2.59,;5.33,-3.36,;2.67,-3.36,;1.33,-2.59,;,-3.36,;-1.33,-2.59,;-1.33,-1.05,;,-.28,;,1.26,;1.33,-1.05,;2.67,-.28,;-2.67,-.28,;-2.67,1.26,;-1.33,2.03,;-4,2.03,;-5.38,1.29,;-5.33,-.28,;-4,-1.05,;-4,-2.59,;-6.72,2.06,;-8.05,2.83,;-5.95,3.39,;-7.49,.72,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531311 (US11208399, Example 65) Show SMILES CN1CCC[C@H](C1)Nc1nnc(cc1C)-c1ccc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531360 ((3S,5R)-5-((6-(2-Hydroxy-6-methyl-4-(trifluorometh...) Show SMILES CN1C[C@@H](O)C[C@H](C1)Nc1ccc(nn1)-c1c(C)cc(cc1O)C(F)(F)F |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM531302 (US11208399, Example 56) Show SMILES Cc1cc(cc(O)c1-c1cc(c(N[C@H]2C[C@@](C)(O)C2)nn1)C(F)(F)F)C(F)(F)F |r,wU:15.16,wD:13.13,15.17,(-1.13,2.03,;-2.46,1.26,;-3.8,2.03,;-5.18,1.29,;-5.13,-.28,;-3.8,-1.05,;-3.8,-2.59,;-2.46,-.28,;-1.13,-1.05,;.2,-.28,;1.63,-1.03,;1.54,-2.59,;2.87,-3.36,;4.21,-2.59,;5.54,-3.36,;6.31,-2.03,;6.51,-.5,;7.8,-1.63,;4.98,-1.26,;.2,-3.36,;-1.13,-2.59,;2.98,-.28,;4.32,.48,;2.22,1.06,;3.73,-1.62,;-6.51,2.06,;-7.84,2.83,;-5.74,3.39,;-7.28,.72,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Monocytic THP-1 cells (ATCC: TIB-202) were maintained according to providers' instructions in RPMI media (RPMI/Hepes+10% fetal bovine serum+Sodiu...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD50Z5
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM398217 (4-chloro-N-((3, 3-difluoro-1-hydroxycyclohexyl)met...) Show SMILES OC1(CNC(=O)c2cn(CC3CCCN3)c3cccc(Cl)c23)CCCC(F)(F)C1 Show InChI InChI=1S/C21H26ClF2N3O2/c22-16-5-1-6-17-18(16)15(11-27(17)10-14-4-2-9-25-14)19(28)26-13-20(29)7-3-8-21(23,24)12-20/h1,5-6,11,14,25,29H,2-4,7-10,12-13H2,(H,26,28)	PDB MMDB 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
Philipps-University Marburg					Assay Description The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...				Bioorg Med Chem 16: 8574-86 (2008) BindingDB Entry DOI: 10.7270/Q26M395S
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM398218 (4-chloro-N-((3,3-difluorocyclohexyl)methyl)-1-(pyr...) Show SMILES FC1(F)CCCC(CNC(=O)c2cn(CC3CCCN3)c3cccc(Cl)c23)C1 Show InChI InChI=1S/C21H26ClF2N3O/c22-17-6-1-7-18-19(17)16(13-27(18)12-15-5-3-9-25-15)20(28)26-11-14-4-2-8-21(23,24)10-14/h1,6-7,13-15,25H,2-5,8-12H2,(H,26,28)	PDB MMDB 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
Philipps-University Marburg					Assay Description The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...				Bioorg Med Chem 16: 8574-86 (2008) BindingDB Entry DOI: 10.7270/Q26M395S
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM398219 (4-chloro-N-((3,3-difluoro-5-methylcyclohexyl)methy...) Show SMILES CC1CC(CNC(=O)c2cn(CC3CCCN3)c3cccc(Cl)c23)CC(F)(F)C1 Show InChI InChI=1S/C22H28ClF2N3O/c1-14-8-15(10-22(24,25)9-14)11-27-21(29)17-13-28(12-16-4-3-7-26-16)19-6-2-5-18(23)20(17)19/h2,5-6,13-16,26H,3-4,7-12H2,1H3,(H,27,29)	PDB MMDB 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
Philipps-University Marburg					Assay Description The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...				Bioorg Med Chem 16: 8574-86 (2008) BindingDB Entry DOI: 10.7270/Q26M395S
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM398220 (4-chloro-N-((4,4-difluorocyclohexyl)methyl)-1-((1-...) Show SMILES CC(C)(C)OC(=O)N1CCCC1Cn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12 Show InChI InChI=1S/C26H34ClF2N3O3/c1-25(2,3)35-24(34)32-13-5-6-18(32)15-31-16-19(22-20(27)7-4-8-21(22)31)23(33)30-14-17-9-11-26(28,29)12-10-17/h4,7-8,16-18H,5-6,9-15H2,1-3H3,(H,30,33)	PDB MMDB 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
Philipps-University Marburg					Assay Description The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...				Bioorg Med Chem 16: 8574-86 (2008) BindingDB Entry DOI: 10.7270/Q26M395S
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM398233 (4-chloro-N-((4,4-difluorocyclohexyl)methyl)-1-(pip...) Show SMILES FC1(F)CCC(CNC(=O)c2cn(CC3CCCCN3)c3cccc(Cl)c23)CC1 Show InChI InChI=1S/C22H28ClF2N3O/c23-18-5-3-6-19-20(18)17(14-28(19)13-16-4-1-2-11-26-16)21(29)27-12-15-7-9-22(24,25)10-8-15/h3,5-6,14-16,26H,1-2,4,7-13H2,(H,27,29)	PDB MMDB 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
Philipps-University Marburg					Assay Description The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...				Bioorg Med Chem 16: 8574-86 (2008) BindingDB Entry DOI: 10.7270/Q26M395S
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM398106 (Preparations of 4-chloro-N-((4,4-difluorocyclohexy...) Show SMILES COCCn1cc(C(=O)NCC2CCC(F)(F)CC2)c2c(Cl)cccc12 Show InChI InChI=1S/C19H23ClF2N2O2/c1-26-10-9-24-12-14(17-15(20)3-2-4-16(17)24)18(25)23-11-13-5-7-19(21,22)8-6-13/h2-4,12-13H,5-11H2,1H3,(H,23,25)	PDB MMDB 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
Merck Patent GmbH US Patent					Assay Description The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...				US Patent US10676433 (2020) BindingDB Entry DOI: 10.7270/Q2HD7ZQ2
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM398117 (4-chloro-1-(oxetan-3-yl)-N-((1-(4-phenylpiperazin-...) Show SMILES Clc1cccc2n(cc(C(=O)NCC3(CCCCC3)N3CCN(CC3)c3ccccc3)c12)C1COC1 Show InChI InChI=1S/C29H35ClN4O2/c30-25-10-7-11-26-27(25)24(18-34(26)23-19-36-20-23)28(35)31-21-29(12-5-2-6-13-29)33-16-14-32(15-17-33)22-8-3-1-4-9-22/h1,3-4,7-11,18,23H,2,5-6,12-17,19-21H2,(H,31,35)	PDB MMDB 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
Merck Patent GmbH US Patent					Assay Description The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...				US Patent US10676433 (2020) BindingDB Entry DOI: 10.7270/Q2HD7ZQ2
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM398217 (4-chloro-N-((3, 3-difluoro-1-hydroxycyclohexyl)met...) Show SMILES OC1(CNC(=O)c2cn(CC3CCCN3)c3cccc(Cl)c23)CCCC(F)(F)C1 Show InChI InChI=1S/C21H26ClF2N3O2/c22-16-5-1-6-17-18(16)15(11-27(17)10-14-4-2-9-25-14)19(28)26-13-20(29)7-3-8-21(23,24)12-20/h1,5-6,11,14,25,29H,2-4,7-10,12-13H2,(H,26,28)	PDB MMDB 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
Merck Patent GmbH US Patent					Assay Description The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...				US Patent US10676433 (2020) BindingDB Entry DOI: 10.7270/Q2HD7ZQ2
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM398218 (4-chloro-N-((3,3-difluorocyclohexyl)methyl)-1-(pyr...) Show SMILES FC1(F)CCCC(CNC(=O)c2cn(CC3CCCN3)c3cccc(Cl)c23)C1 Show InChI InChI=1S/C21H26ClF2N3O/c22-17-6-1-7-18-19(17)16(13-27(18)12-15-5-3-9-25-15)20(28)26-11-14-4-2-8-21(23,24)10-14/h1,6-7,13-15,25H,2-5,8-12H2,(H,26,28)	PDB MMDB 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
Merck Patent GmbH US Patent					Assay Description The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...				US Patent US10676433 (2020) BindingDB Entry DOI: 10.7270/Q2HD7ZQ2
					More data for this Ligand-Target Pair
Interleukin-1 beta (Homo sapiens (Human))	BDBM450448 (US10676433, Compound 158 | US10676433, Compound 76) Show SMILES FC1(F)CCC(CNC(=O)c2cn(CC3CCCN3)c3cccc(Cl)c23)CC1 Show InChI InChI=1S/C21H26ClF2N3O/c22-17-4-1-5-18-19(17)16(13-27(18)12-15-3-2-10-25-15)20(28)26-11-14-6-8-21(23,24)9-7-14/h1,4-5,13-15,25H,2-3,6-12H2,(H,26,28)	PDB MMDB 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
Merck Patent GmbH US Patent					Assay Description The activation of P2X7 by ATP leads to a fast transient activation of cells resulting in influx of Ca2+ followed by conversion of pro-IL-1β to a...				US Patent US10676433 (2020) BindingDB Entry DOI: 10.7270/Q2HD7ZQ2
					More data for this Ligand-Target Pair

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