Compile Data Set for Download or QSAR

Found 6 hits of ic50 data for polymerid = 1631   

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
Mitogen-activated protein kinase 14 [G110D] (Mus musculus (mouse))	BDBM15240 (4-[1-methyl-2-(piperidin-4-yl)-4-[3-(trifluorometh...) Show SMILES C[C@H](Nc1nccc(n1)-c1c(nc(C2CCNCC2)n1C)-c1cccc(c1)C(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C28H29F3N6/c1-18(19-7-4-3-5-8-19)34-27-33-16-13-23(35-27)25-24(21-9-6-10-22(17-21)28(29,30)31)36-26(37(25)2)20-11-14-32-15-12-20/h3-10,13,16-18,20,32H,11-12,14-15H2,1-2H3,(H,33,34,35)/t18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	7.0	30
Merck Research Laboratories					Assay Description The biochemical activity of compounds was determined by incubation with wild-type or mutant p38alpha enzymes, and substrates in the presence ATP/[gam...				Nat Struct Biol 10: 764-9 (2003) Article DOI: 10.1038/nsb949 BindingDB Entry DOI: 10.7270/Q2SX6BF9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 [G110D] (Mus musculus (mouse))	BDBM15242 (1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(4...) Show SMILES Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)CCc12)c1c(Cl)cccc1Cl)C1CCNCC1 Show InChI InChI=1S/C26H22Cl2F2N2O/c27-21-2-1-3-22(28)26(21)32-24-13-16(15-8-10-31-11-9-15)12-20(19(24)6-7-25(32)33)18-5-4-17(29)14-23(18)30/h1-5,12-15,31H,6-11H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	7.0	30
Merck Research Laboratories					Assay Description The biochemical activity of compounds was determined by incubation with wild-type or mutant p38alpha enzymes, and substrates in the presence ATP/[gam...				Nat Struct Biol 10: 764-9 (2003) Article DOI: 10.1038/nsb949 BindingDB Entry DOI: 10.7270/Q2SX6BF9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 [G110D] (Mus musculus (mouse))	BDBM13336 (4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...) Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	7.0	30
Merck Research Laboratories					Assay Description The biochemical activity of compounds was determined by incubation with wild-type or mutant p38alpha enzymes, and substrates in the presence ATP/[gam...				Nat Struct Biol 10: 764-9 (2003) Article DOI: 10.1038/nsb949 BindingDB Entry DOI: 10.7270/Q2SX6BF9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 [G110D] (Mus musculus (mouse))	BDBM15241 (1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-(p...) Show SMILES Fc1ccc(c(F)c1)-c1cc(cc2N(C(=O)NCc12)c1c(Cl)cccc1Cl)N1CCNCC1 Show InChI InChI=1S/C24H20Cl2F2N4O/c25-19-2-1-3-20(26)23(19)32-22-12-15(31-8-6-29-7-9-31)11-17(18(22)13-30-24(32)33)16-5-4-14(27)10-21(16)28/h1-5,10-12,29H,6-9,13H2,(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	7.0	30
Merck Research Laboratories					Assay Description The biochemical activity of compounds was determined by incubation with wild-type or mutant p38alpha enzymes, and substrates in the presence ATP/[gam...				Nat Struct Biol 10: 764-9 (2003) Article DOI: 10.1038/nsb949 BindingDB Entry DOI: 10.7270/Q2SX6BF9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 [G110D] (Mus musculus (mouse))	BDBM15244 (5-(2,6-dichlorophenyl)-2-(2,4-difluorophenyl)sulfa...) Show SMILES Fc1ccc(Sc2ccc3c(-c4c(Cl)cccc4Cl)c(=O)ncn3n2)c(F)c1 |(-1.69,6.87,;-1.69,5.33,;-.36,4.56,;-.36,3.02,;-1.69,2.25,;-1.69,.71,;-3.03,-.06,;-3.03,-1.6,;-4.36,-2.37,;-5.75,-1.54,;-7.08,-2.31,;-7.08,-3.85,;-5.75,-4.62,;-4.42,-3.85,;-5.75,-6.16,;-7.08,-6.93,;-8.42,-6.16,;-8.42,-4.62,;-9.75,-3.85,;-8.42,-1.54,;-9.75,-2.31,;-8.42,,;-7.08,.77,;-5.75,,;-4.36,.71,;-3.03,3.02,;-4.36,2.25,;-3.03,4.56,)| Show InChI InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	7.0	30
Merck Research Laboratories					Assay Description The biochemical activity of compounds was determined by incubation with wild-type or mutant p38alpha enzymes, and substrates in the presence ATP/[gam...				Nat Struct Biol 10: 764-9 (2003) Article DOI: 10.1038/nsb949 BindingDB Entry DOI: 10.7270/Q2SX6BF9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 14 [G110D] (Mus musculus (mouse))	BDBM15243 (1-(2,6-dichlorophenyl)-6-[(2,4-difluorophenyl)sulf...) Show SMILES Fc1ccc(Sc2nc3CNC(=O)N(c3cc2C2=CCNCC2)c2c(Cl)cccc2Cl)c(F)c1 |t:19| Show InChI InChI=1S/C24H18Cl2F2N4OS/c25-16-2-1-3-17(26)22(16)32-20-11-15(13-6-8-29-9-7-13)23(31-19(20)12-30-24(32)33)34-21-5-4-14(27)10-18(21)28/h1-6,10-11,29H,7-9,12H2,(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.0	30
Merck Research Laboratories					Assay Description The biochemical activity of compounds was determined by incubation with wild-type or mutant p38alpha enzymes, and substrates in the presence ATP/[gam...				Nat Struct Biol 10: 764-9 (2003) Article DOI: 10.1038/nsb949 BindingDB Entry DOI: 10.7270/Q2SX6BF9
					More data for this Ligand-Target Pair				3D Structure (crystal)