Compile Data Set for Download or QSAR

Found 630 hits with Last Name = 'velcicky' and Initial = 'j'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	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))	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))	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))	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))	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))	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))	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
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50348537 (CHEMBL1801376) Show SMILES Fc1cccc(Nc2cc3c4[nH]c5CNC(=O)c5c4ccc3cn2)c1 Show InChI InChI=1S/C19H13FN4O/c20-11-2-1-3-12(6-11)23-16-7-14-10(8-21-16)4-5-13-17-15(24-18(13)14)9-22-19(17)25/h1-8,24H,9H2,(H,21,23)(H,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of JNK2				Bioorg Med Chem Lett 20: 4715-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.024 BindingDB Entry DOI: 10.7270/Q2765FNN
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50348545 (CHEMBL1801384) Show SMILES O=C1NCCc2[nH]c3c(ccc4cnc(\C=C\c5ccc(CN6CCOCC6)cc5)cc34)c12 Show InChI InChI=1S/C27H26N4O2/c32-27-25-22-8-6-20-16-29-21(15-23(20)26(22)30-24(25)9-10-28-27)7-5-18-1-3-19(4-2-18)17-31-11-13-33-14-12-31/h1-8,15-16,30H,9-14,17H2,(H,28,32)/b7-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay				Bioorg Med Chem Lett 20: 4715-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.024 BindingDB Entry DOI: 10.7270/Q2765FNN
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50260351 (CHEMBL4086667) Show SMILES CC(C)(C)CN(Cc1ccc(\C=C\CN2CCC(CC2)N2CCCCC2)cc1)c1ccnc(n1)C#N Show InChI InChI=1S/C30H42N6/c1-30(2,3)24-36(29-13-16-32-28(22-31)33-29)23-26-11-9-25(10-12-26)8-7-17-34-20-14-27(15-21-34)35-18-5-4-6-19-35/h7-13,16,27H,4-6,14-15,17-21,23-24H2,1-3H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem 25: 4512-4525 (2017) Article DOI: 10.1016/j.bmc.2017.06.050 BindingDB Entry DOI: 10.7270/Q2NS0XB3
					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))	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))	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
Mitogen-activated protein kinase 9 (Homo sapiens (Human))	BDBM50348534 (CHEMBL1801373) Show SMILES O=C1NCc2[nH]c3c(ccc4cnc(\C=C\c5ccccc5)cc34)c12 Show InChI InChI=1S/C21H15N3O/c25-21-19-16-9-7-14-11-22-15(8-6-13-4-2-1-3-5-13)10-17(14)20(16)24-18(19)12-23-21/h1-11,24H,12H2,(H,23,25)/b8-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of JNK2				Bioorg Med Chem Lett 20: 4715-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.024 BindingDB Entry DOI: 10.7270/Q2765FNN
					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))	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))	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
Cathepsin K (Homo sapiens (Human))	BDBM50260350 (CHEMBL4078089) Show SMILES CC(C)N1CCN(CC#Cc2ccc(CN(CC(C)(C)C)c3ccnc(n3)C#N)cc2)CC1 Show InChI InChI=1S/C27H36N6/c1-22(2)32-17-15-31(16-18-32)14-6-7-23-8-10-24(11-9-23)20-33(21-27(3,4)5)26-12-13-29-25(19-28)30-26/h8-13,22H,14-18,20-21H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human cathepsin K				Bioorg Med Chem 25: 4512-4525 (2017) Article DOI: 10.1016/j.bmc.2017.06.050 BindingDB Entry DOI: 10.7270/Q2NS0XB3
					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
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50465454 (CHEMBL4293121) Show SMILES COc1ccc(cn1)-c1ncc2CCc3c([nH]c4c3C(=O)NCC43CN(C)C3)-c2c1F Show InChI InChI=1S/C23H22FN5O2/c1-29-10-23(11-29)9-27-22(30)17-14-5-3-12-7-26-19(13-4-6-15(31-2)25-8-13)18(24)16(12)20(14)28-21(17)23/h4,6-8,28H,3,5,9-11H2,1-2H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by TR-FRET assay				ACS Med Chem Lett 9: 392-396 (2018) Article DOI: 10.1021/acsmedchemlett.8b00098 BindingDB Entry DOI: 10.7270/Q2VX0K5Z
					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
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50465453 (CHEMBL4277929) Show SMILES CN1CC2(C1)CNC(=O)c1c3CCc4cnc(c(F)c4-c3[nH]c21)-c1cccc(F)c1 Show InChI InChI=1S/C23H20F2N4O/c1-29-10-23(11-29)9-27-22(30)17-15-6-5-13-8-26-19(12-3-2-4-14(24)7-12)18(25)16(13)20(15)28-21(17)23/h2-4,7-8,28H,5-6,9-11H2,1H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by TR-FRET assay				ACS Med Chem Lett 9: 392-396 (2018) Article DOI: 10.1021/acsmedchemlett.8b00098 BindingDB Entry DOI: 10.7270/Q2VX0K5Z
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50348515 (CHEMBL1233942) Show SMILES CN1CC2(C1)CNC(=O)c1c3CCc4cnc(cc4-c3[nH]c21)-c1ccccc1F Show InChI InChI=1S/C23H21FN4O/c1-28-11-23(12-28)10-26-22(29)19-15-7-6-13-9-25-18(14-4-2-3-5-17(14)24)8-16(13)20(15)27-21(19)23/h2-5,8-9,27H,6-7,10-12H2,1H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of MK2 mediated anisomycin-stimulated hsp27 phosphorylation in human THP-1 cells by fluorometric analysis				Bioorg Med Chem Lett 20: 4719-23 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2010.04.023 BindingDB Entry DOI: 10.7270/Q2BZ66C2
					More data for this Ligand-Target Pair				3D Structure (crystal)
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50465455 (CHEMBL4282514) Show SMILES COc1ccc(cc1F)-c1ncc2CCc3c([nH]c4c3C(=O)NCC43CN(C)C3)-c2c1F Show InChI InChI=1S/C24H22F2N4O2/c1-30-10-24(11-30)9-28-23(31)18-14-5-3-13-8-27-20(12-4-6-16(32-2)15(25)7-12)19(26)17(13)21(14)29-22(18)24/h4,6-8,29H,3,5,9-11H2,1-2H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by TR-FRET assay				ACS Med Chem Lett 9: 392-396 (2018) Article DOI: 10.1021/acsmedchemlett.8b00098 BindingDB Entry DOI: 10.7270/Q2VX0K5Z
					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))	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))	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
Signal peptide peptidase-like 2A (Homo sapiens)	BDBM50546132 (CHEMBL4759048) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C[C@H](O)[C@@H](N)c1ccc(OC(F)(F)F)cc1)C1CCC1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SPPL2a in human U2OS cells cotransfected with EGFP-labeled TNFalpha (1 to 76 residues)-NTF incubated for 24 hrs by Hoechst staining bas...				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00044 BindingDB Entry DOI: 10.7270/Q2S1863Z
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50348492 (CHEMBL1801296) Show SMILES CN1CCC2(CC1)CNC(=O)c1c3CCc4cnc(cc4-c3[nH]c21)-c1ccccc1F Show InChI InChI=1S/C25H25FN4O/c1-30-10-8-25(9-11-30)14-28-24(31)21-17-7-6-15-13-27-20(16-4-2-3-5-19(16)26)12-18(15)22(17)29-23(21)25/h2-5,12-13,29H,6-11,14H2,1H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis				Bioorg Med Chem Lett 20: 4719-23 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2010.04.023 BindingDB Entry DOI: 10.7270/Q2BZ66C2
					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
Signal peptide peptidase-like 2A (Mus musculus)	BDBM50546132 (CHEMBL4759048) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N(C[C@H](O)[C@@H](N)c1ccc(OC(F)(F)F)cc1)C1CCC1 |r| Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse SPPL2a cotransfected with EGFP-NLP-fused TNFalpha (1 to 77 residues)-NTF incubated for 24 hrs by Hoechst staining based Cellomics...				Citation and Details Article DOI: 10.1021/acsmedchemlett.9b00044 BindingDB Entry DOI: 10.7270/Q2S1863Z
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50348543 (CHEMBL1801382) Show SMILES COCCOc1cncc(c1)-c1cc2c3[nH]c4CNC(=O)c4c3ccc2cn1 Show InChI InChI=1S/C21H18N4O3/c1-27-4-5-28-14-6-13(8-22-10-14)17-7-16-12(9-23-17)2-3-15-19-18(25-20(15)16)11-24-21(19)26/h2-3,6-10,25H,4-5,11H2,1H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay				Bioorg Med Chem Lett 20: 4715-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.024 BindingDB Entry DOI: 10.7270/Q2765FNN
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50348542 (CHEMBL1801381) Show SMILES O=C1NCc2[nH]c3c(ccc4cnc(cc34)-c3cncc(OCCN4CCOCC4)c3)c12 Show InChI InChI=1S/C24H23N5O3/c30-24-22-18-2-1-15-12-26-20(10-19(15)23(18)28-21(22)14-27-24)16-9-17(13-25-11-16)32-8-5-29-3-6-31-7-4-29/h1-2,9-13,28H,3-8,14H2,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay				Bioorg Med Chem Lett 20: 4715-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.024 BindingDB Entry DOI: 10.7270/Q2765FNN
					More data for this Ligand-Target Pair
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123511 (US8748435, 36) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(cc1)-c1nnc(o1)[C@H]1CC[C@H](N)CC1 |r,wU:25.28,wD:28.32,(-6.74,4.11,;-7.83,3.02,;-7.43,1.53,;-8.33,.29,;-7.43,-.96,;-7.75,-2.47,;-9.24,-2.86,;-6.6,-3.5,;-5.14,-3.02,;-4.05,-4.11,;-4.82,-1.51,;-5.96,-.48,;-5.96,1.06,;-4.63,1.83,;-3.3,1.06,;-3.3,-.48,;-1.96,-1.25,;-.63,-.48,;-.63,1.06,;-1.96,1.83,;.71,-1.25,;.71,-2.79,;2.17,-3.27,;3.08,-2.02,;2.17,-.78,;4.62,-2.02,;5.39,-.69,;6.93,-.69,;7.7,-2.02,;9.24,-2.02,;6.93,-3.36,;5.39,-3.36,)| Show InChI InChI=1S/C25H30N6O/c1-4-22-21(23-27-15(2)13-16(3)31(23)30-22)14-17-5-7-18(8-6-17)24-28-29-25(32-24)19-9-11-20(26)12-10-19/h5-8,13,19-20H,4,9-12,14,26H2,1-3H3/t19-,20-	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50348546 (CHEMBL1801385) Show SMILES O=C1NCCc2[nH]c3c(ccc4cnc(\C=C\c5cccc(CCN6CCOCC6)c5)cc34)c12 Show InChI InChI=1S/C28H28N4O2/c33-28-26-23-7-5-21-18-30-22(17-24(21)27(23)31-25(26)8-10-29-28)6-4-19-2-1-3-20(16-19)9-11-32-12-14-34-15-13-32/h1-7,16-18,31H,8-15H2,(H,29,33)/b6-4+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human MK2 using hsp27 peptide biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET assay				Bioorg Med Chem Lett 20: 4715-8 (2010) Article DOI: 10.1016/j.bmcl.2010.04.024 BindingDB Entry DOI: 10.7270/Q2765FNN
					More data for this Ligand-Target Pair
Signal peptide peptidase-like 2A (Homo sapiens)	BDBM50262993 (CHEMBL4059711) Show SMILES C[C@H](CC(=O)Nc1cc(F)cc(F)c1)C(=O)N[C@H]1c2ccccc2CN2CCCN2C1=O |r| Show InChI InChI=1S/C23H24F2N4O3/c1-14(9-20(30)26-18-11-16(24)10-17(25)12-18)22(31)27-21-19-6-3-2-5-15(19)13-28-7-4-8-29(28)23(21)32/h2-3,5-6,10-12,14,21H,4,7-9,13H2,1H3,(H,26,30)(H,27,31)/t14-,21+/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Institute of the Novartis Research Foundation , 10675 John Jay Hopkins Drive, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Inhibition of human SPPL2a expressed in human U2OS cells using EGFP-labeled TNFalpha (1 to 76 residues) NTF as substrate after 24 hrs by Hoechst stai...				J Med Chem 61: 865-880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01371 BindingDB Entry DOI: 10.7270/Q2JM2D49
					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
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50348493 (CHEMBL1801304) Show SMILES COCCOc1cncc(c1)-c1ncc2CCc3c([nH]c4c3C(=O)NCC43CN(C)C3)-c2n1 Show InChI InChI=1S/C24H26N6O3/c1-30-12-24(13-30)11-27-23(31)18-17-4-3-14-9-26-22(29-19(14)20(17)28-21(18)24)15-7-16(10-25-8-15)33-6-5-32-2/h7-10,28H,3-6,11-13H2,1-2H3,(H,27,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human MK2 using biotinyl-AYSRALSRQLSSGVSEIRCOOH as substrate after 45 mins by FRET analysis				Bioorg Med Chem Lett 20: 4719-23 (2010) Checked by Author Article DOI: 10.1016/j.bmcl.2010.04.023 BindingDB Entry DOI: 10.7270/Q2BZ66C2
					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
Signal peptide peptidase-like 2A (Homo sapiens)	BDBM50263008 (CHEMBL255473) Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C43H64N6O9/c1-27(2)19-34(46-40(53)36(21-29(5)6)48-42(55)57-25-31-15-11-9-12-16-31)38(51)44-23-33(50)24-45-39(52)35(20-28(3)4)47-41(54)37(22-30(7)8)49-43(56)58-26-32-17-13-10-14-18-32/h9-18,27-30,34-37H,19-26H2,1-8H3,(H,44,51)(H,45,52)(H,46,53)(H,47,54)(H,48,55)(H,49,56)/t34-,35-,36-,37-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
The Genomics Institute of the Novartis Research Foundation , 10675 John Jay Hopkins Drive, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Inhibition of human SPPL2a expressed in human U2OS cells using EGFP-labeled TNFalpha (1 to 76 residues) NTF as substrate after 24 hrs by Hoechst stai...				J Med Chem 61: 865-880 (2018) Article DOI: 10.1021/acs.jmedchem.7b01371 BindingDB Entry DOI: 10.7270/Q2JM2D49
					More data for this Ligand-Target Pair

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