Compile Data Set for Download or QSAR

Found 51 hits of ic50 data for polymerid = 50006047   

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
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523252 ((1r,4r)-4-(4- chlorophenyl)- N-(5-hydroxy- pyridin...) Show SMILES Oc1ccc(NC(=O)[C@H]2CC[C@@H](CC2)c2ccc(Cl)cc2)nc1 |r,wU:8.7,wD:11.14,(8,3.85,;6.67,3.08,;5.33,3.85,;4,3.08,;4,1.54,;2.67,.77,;1.33,1.54,;1.33,3.08,;,.77,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-1.33,1.54,;-4,-1.54,;-5.33,-.77,;-6.67,-1.54,;-6.67,-3.08,;-8,-3.85,;-5.33,-3.85,;-4,-3.08,;5.33,.77,;6.67,1.54,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative log concentration of antagonist was determined on 5-hydroxytryptamine 2B receptor of Rat stomach fundus				Citation and Details
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523251 (N-(5-hydroxy- pyridin-2-yl)-7- methyloctan- amide ...) Show SMILES CC(C)CCCCCC(=O)Nc1ccc(O)cn1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta				Citation and Details
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523252 ((1r,4r)-4-(4- chlorophenyl)- N-(5-hydroxy- pyridin...) Show SMILES Oc1ccc(NC(=O)[C@H]2CC[C@@H](CC2)c2ccc(Cl)cc2)nc1 |r,wU:8.7,wD:11.14,(8,3.85,;6.67,3.08,;5.33,3.85,;4,3.08,;4,1.54,;2.67,.77,;1.33,1.54,;1.33,3.08,;,.77,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-1.33,1.54,;-4,-1.54,;-5.33,-.77,;-6.67,-1.54,;-6.67,-3.08,;-8,-3.85,;-5.33,-3.85,;-4,-3.08,;5.33,.77,;6.67,1.54,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523251 (N-(5-hydroxy- pyridin-2-yl)-7- methyloctan- amide ...) Show SMILES CC(C)CCCCCC(=O)Nc1ccc(O)cn1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523268 (N-(5-hydroxypyridin-2-yl)-1-[4-(trifluoromethyl)ph...) Show SMILES Oc1ccc(NC(=O)C2CCN(CC2)c2ccc(cc2)C(F)(F)F)nc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523246 (N-(5-hydroxy- pyridin-2-yl)- 4'-chloro- biphenyl-4...) Show SMILES Oc1ccc(NC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)nc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt 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 Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523270 (2-[1-(5-chloropyridin-2-yl)piperidin-4-yl]-N-(5-hy...) Show SMILES Oc1ccc(NC(=O)CC2CCN(CC2)c2ccc(Cl)cn2)nc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523243 (N-(5-hydroxy- pyridin-2-yl)- 4-cyclohexyl- benzami...) Show SMILES Oc1ccc(NC(=O)c2ccc(cc2)C2CCCCC2)nc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative log concentration of antagonist was determined on 5-hydroxytryptamine 2B receptor of Rat stomach fundus				Citation and Details
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523254 (4-(tert-butyl)- N-(5-hydroxy- pyridin-2-yl)- benza...) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(O)cn1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523243 (N-(5-hydroxy- pyridin-2-yl)- 4-cyclohexyl- benzami...) Show SMILES Oc1ccc(NC(=O)c2ccc(cc2)C2CCCCC2)nc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523245 (N-(5-hydroxy- pyridin-2-yl)- 4'-cyano- biphenyl-4-...) Show SMILES Oc1ccc(NC(=O)c2ccc(cc2)-c2ccc(cc2)C#N)nc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523249 ((1r,4r)-N-(5- hydroxy- pyridin-2-yl)- 4-phenyl- cy...) Show SMILES Oc1ccc(NC(=O)[C@H]2CC[C@@H](CC2)c2ccccc2)nc1 |r,wU:8.7,wD:11.14,(7.34,3.85,;6,3.08,;4.67,3.85,;3.33,3.08,;3.33,1.54,;2,.77,;.67,1.54,;.67,3.08,;-.67,.77,;-.67,-.77,;-2,-1.54,;-3.33,-.77,;-3.33,.77,;-2,1.54,;-4.67,-1.54,;-6,-.77,;-7.34,-1.54,;-7.34,-3.08,;-6,-3.85,;-4.67,-3.08,;4.67,.77,;6,1.54,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523266 (2-[1-(4-chlorophenyl)piperidin-4-yl]-N-(5-hydroxyp...) Show SMILES Oc1ccc(NC(=O)CC2CCN(CC2)c2ccc(Cl)cc2)nc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523250 (N-(5-hydroxy- pyridin-2-yl)- octanamide | US111352...) Show SMILES CCCCCCCC(=O)Nc1ccc(O)cn1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG 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 Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523236 (N-(5-hydroxy- pyridin-2-yl)- (1,1'- biphenyl)-4- c...) Show SMILES Oc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)nc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt 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
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523269 (1-(4-fluorophenyl)-N-(5-hydroxypyridin-2-yl)piperi...) Show SMILES Oc1ccc(NC(=O)C2CCN(CC2)c2ccc(F)cc2)nc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523264 (2-[1-(4-fluorophenyl) piperidin-4-yl]-N-(5-hydroxy...) Show SMILES Oc1ccc(NC(=O)CC2CCN(CC2)c2ccc(F)cc2)nc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523244 (N-(5-hydroxy- pyridin-2-yl)- 4'-methoxy- biphenyl-...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)C(=O)Nc1ccc(O)cn1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523248 (N-(5-hydroxy- pyridin-2-yl)- 4-isopropyl- benzamid...) Show SMILES CC(C)c1ccc(cc1)C(=O)Nc1ccc(O)cn1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523256 (2'-chloro-N- (5-hydroxy- pyridin-2-yl)- [1,1'- bip...) Show SMILES Oc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2Cl)nc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523255 (N-(5-hydroxy- pyridin-2-yl)- 5-isopropoxy- pentana...) Show SMILES CC(C)OCCCCC(=O)Nc1ccc(O)cn1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523257 ((1r,4r)-N-(5- hydroxypyridin- 2-yl)-4-iso- propoxy...) Show SMILES CC(C)O[C@H]1CC[C@@H](CC1)C(=O)Nc1ccc(O)cn1 |r,wU:7.10,wD:4.3,(-7.21,-2.85,;-6.12,-1.77,;-6.52,-.28,;-4.79,-2.54,;-3.46,-1.77,;-2.12,-2.54,;-.79,-1.77,;-.79,-.23,;-2.12,.54,;-3.46,-.23,;.54,.54,;.54,2.08,;1.88,-.23,;3.21,.54,;3.21,2.08,;4.55,2.85,;5.88,2.08,;7.21,2.85,;5.88,.54,;4.55,-.23,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523261 (N-(5-hydroxy- pyridin-2-yl)- 4-(1,1,1- trifluoro- ...) Show SMILES CC(c1ccc(cc1)C(=O)Nc1ccc(O)cn1)C(F)(F)F Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523262 (N-(5-hydroxypyridin-2-yl)-2-[4-[4-(trifluoromethyl...) Show SMILES Oc1ccc(NC(=O)CN2CCN(CC2)c2ccc(cc2)C(F)(F)F)nc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523232 (N-(4-hydroxy- phcnyl)-[1,1'- biphenyl]-4- carboxam...) Show SMILES Oc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	CHEMBL5275998 Show SMILES CC(C)C[C@H]1NC(=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CC(=O)N(N)C[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)NC1=O |TLB:57:58:62:56.55.61,THB:57:56:62:58.63.59| Show InChI InChI=1S/C49H66N10O8/c1-28(2)16-37-46(65)58-40(22-43(62)59(51)27-49-23-30-17-31(24-49)19-32(18-30)25-49)48(67)55-36(12-13-41(50)60)45(64)57-39(21-33-26-53-35-11-7-6-10-34(33)35)47(66)56-38(20-29-8-4-3-5-9-29)44(63)52-15-14-42(61)54-37/h3-11,26,28,30-32,36-40,53H,12-25,27,51H2,1-2H3,(H2,50,60)(H,52,63)(H,54,61)(H,55,67)(H,56,66)(H,57,64)(H,58,65)/t30-,31+,32-,36-,37-,38-,39+,40+,49-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta				Citation and Details
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523235 (N-(5-hydroxy- pyridin-2-yl)- cinnamide | US1113520...) Show SMILES Oc1ccc(NC(=O)\C=C\c2ccccc2)nc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523260 (N-(5-hydroxy- pyridin-2-yl)- 4-(trifluoro- methyl)...) Show SMILES Oc1ccc(NC(=O)c2ccc(cc2)C(F)(F)F)nc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523267 (2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(5-hydroxyp...) Show SMILES Oc1ccc(NC(=O)CN2CCN(CC2)c2ccc(Cl)cc2)nc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523258 ((1s,4s)-N-(5- hydroxypyridin- 2-yl)-4-iso- propoxy...) Show SMILES CC(C)O[C@H]1CC[C@H](CC1)C(=O)Nc1ccc(O)cn1 |r,wU:7.10,4.3,(-7.34,-2.7,;-6,-1.92,;-6.4,-.44,;-4.67,-2.7,;-3.33,-1.93,;-3.33,-.39,;-2,.38,;-.67,-.39,;-.67,-1.93,;-2,-2.7,;.67,.38,;.67,1.92,;2,-.39,;3.33,.38,;3.33,1.93,;4.67,2.69,;6,1.93,;7.34,2.7,;6,.38,;4.67,-.39,)| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523241 (N-(4-hydroxy- phenyl)-4- cyclohexyl- benzamide | U...) Show SMILES Oc1ccc(NC(=O)c2ccc(cc2)C2CCCCC2)cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523241 (N-(4-hydroxy- phenyl)-4- cyclohexyl- benzamide | U...) Show SMILES Oc1ccc(NC(=O)c2ccc(cc2)C2CCCCC2)cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta				Citation and Details
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM50092055 ((2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethyl-cycl...) Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(=O)Nc1ccc(O)cc1 |c:4| Show InChI InChI=1S/C26H33NO2/c1-19(11-16-24-21(3)10-7-17-26(24,4)5)8-6-9-20(2)18-25(29)27-22-12-14-23(28)15-13-22/h6,8-9,11-16,18,28H,7,10,17H2,1-5H3,(H,27,29)/b9-6+,16-11+,19-8+,20-18+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative log concentration of antagonist was determined on 5-hydroxytryptamine 2B receptor of Rat stomach fundus				Citation and Details
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523259 (4-ethyl-N-(5- hydroxy- pyridin-2-yl)- benzamide | ...) Show SMILES CCc1ccc(cc1)C(=O)Nc1ccc(O)cn1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523253 (N-(5-hydroxy- pyridin-2-yl)- 4-(pyridin-3- yl)benz...) Show SMILES Oc1ccc(NC(=O)c2ccc(cc2)-c2cccnc2)nc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523265 (2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxyp...) Show SMILES Oc1ccc(NC(=O)CN2CCN(CC2)c2ccc(F)cc2)nc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	CHEMBL5268107 Show SMILES CC(C)C[C@@H]1CN[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(=O)N1 Show InChI InChI=1S/C47H56N8O6/c1-29(2)22-35-28-51-39(25-31-16-17-32-12-6-7-13-33(32)23-31)46(60)53-38(18-19-42(48)56)45(59)55-41(26-34-27-50-37-15-9-8-14-36(34)37)47(61)54-40(24-30-10-4-3-5-11-30)44(58)49-21-20-43(57)52-35/h3-17,23,27,29,35,38-41,50-51H,18-22,24-26,28H2,1-2H3,(H2,48,56)(H,49,58)(H,52,57)(H,53,60)(H,54,61)(H,55,59)/t35-,38-,39+,40-,41+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Negative log concentration of antagonist on 5-hydroxytryptamine 2A receptor in rat thoracic aorta				Citation and Details
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523234 (N-(5-hydroxy- pyridin-2-yl)- 2-naphth- amide | US1...) Show SMILES Oc1ccc(NC(=O)c2ccc3ccccc3c2)nc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523237 ((trans)-N-(5- hydroxy- pyridin-2-yl)- 2-phenyl- cy...) Show SMILES Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)nc1 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523247 (N-(5-hydroxy- pyridin-2-yl)- 4-methoxy- benzamide ...) Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(O)cn1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523263 (1-(4-fluorophenyl)-N-(5-hydroxypyridin-2-yl)piperi...) Show SMILES Oc1ccc(NC(=O)C2CCCN(C2)c2ccc(F)cc2)nc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM50429763 (CHEMBL229844 | N-(4-Hydroxyphenyl)Cinnamamide | US...) Show SMILES Oc1ccc(NC(=O)\C=C\c2ccccc2)cc1 Show InChI InChI=1S/C15H13NO2/c17-14-9-7-13(8-10-14)16-15(18)11-6-12-4-2-1-3-5-12/h1-11,17H,(H,16,18)/b11-6+	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523233 ((trans)-N-(4- hydroxyphenyl)- 2-phenyl- cyclopropa...) Show SMILES Oc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 |r| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523229 (N-(4-hydroxy- phenyl)-2- naphthamide | US11135207,...) Show SMILES Oc1ccc(NC(=O)c2ccc3ccccc3c2)cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523230 ((E)-N-(4- hydroxy- phenyl)-3- phenylbut-2- enamide...) Show SMILES C\C(=C/C(=O)Nc1ccc(O)cc1)c1ccccc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523242 (N-(5-hydroxy- pyridin-2-yl)- phenyl- acetamide | U...) Show SMILES Oc1ccc(NC(=O)Cc2ccccc2)nc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523239 (N-(4-hydroxy- phenyl)-1- napthamide | US11135207, ...) Show SMILES Oc1ccc(NC(=O)c2cccc3ccccc23)cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523240 (N-(4-hydroxy- phenyl)-1H- indazole-5- carboxamide ...) Show SMILES Oc1ccc(NC(=O)c2ccc3[nH]ncc3c2)cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM523238 (N-(4-hydroxy- phenyl)-3- methyl-2- butenamide | US...) Show SMILES [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#7]-c1ccc(-[#8])cc1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Jurkat clone E6-1 cells were grown and then seeded at 106 cells/mL in a 96-well plate (400 μL in each well. The cells were administered 100 _...				Citation and Details BindingDB Entry DOI: 10.7270/Q2X92FGH
					More data for this Ligand-Target Pair
Sphingolipid delta(4)-desaturase DES1 (Homo sapiens (Human))	BDBM50382314 (CHEMBL2024680) Show SMILES CCCCCCCCCCCCCS\C=C\[C@H](CO)NC(=O)CCCCCCC |r| Show InChI InChI=1S/C25H49NO2S/c1-3-5-7-9-10-11-12-13-14-16-18-21-29-22-20-24(23-27)26-25(28)19-17-15-8-6-4-2/h20,22,24,27H,3-19,21,23H2,1-2H3,(H,26,28)/b22-20+/t24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Advanced Chemistry of Catalonia Curated by ChEMBL					Assay Description Inhibition of Des1 in human A549 cells assessed as formation of CerC6NBD from dhCerC6NBD after 4 hrs by HPLC-FD analysis				Bioorg Med Chem 20: 3173-9 (2012) Article DOI: 10.1016/j.bmc.2012.03.073 BindingDB Entry DOI: 10.7270/Q2V40W7N
					More data for this Ligand-Target Pair

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