Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for assayid = 9 entry = 50012698   

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 7 (Homo sapiens (Human))	BDBM50559478 (CHEMBL4800629) Show SMILES CCO[C@H]1CC[C@@H](CC1)Nc1cc2N(C)c3ccccc3C(=O)N(C)c2cn1 |r,wU:6.9,wD:3.2,(49.06,-13.98,;49.07,-12.44,;50.4,-11.68,;50.41,-10.14,;51.75,-9.38,;51.75,-7.83,;50.42,-7.07,;49.09,-7.83,;49.08,-9.36,;50.42,-5.53,;51.75,-4.76,;53.09,-5.53,;54.42,-4.76,;55.65,-5.72,;55.32,-7.22,;57.16,-5.35,;58.04,-6.62,;59.59,-6.48,;60.24,-5.07,;59.35,-3.81,;57.81,-3.95,;57.13,-2.56,;58.08,-1.35,;55.62,-2.23,;55.26,-.74,;54.41,-3.21,;53.08,-2.45,;51.76,-3.22,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ERK5 using myelin basic protein as substrate by [gamm33P]ATP based HotSpot radiometric assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116015 BindingDB Entry DOI: 10.7270/Q2TF021T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50559469 (CHEMBL4788469) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(N[C@H]3CC[C@H](O)CC3)cc12 |r,wU:17.17,wD:20.21,(8.15,-8.03,;8.47,-6.53,;9.98,-6.17,;10.87,-7.43,;12.41,-7.3,;13.06,-5.89,;12.17,-4.63,;10.64,-4.77,;9.96,-3.38,;10.91,-2.17,;8.45,-3.05,;8.09,-1.56,;7.24,-4.03,;5.91,-3.27,;4.59,-4.04,;4.59,-5.58,;3.26,-6.35,;3.25,-7.88,;4.59,-8.65,;4.58,-10.19,;3.25,-10.95,;3.24,-12.49,;1.92,-10.18,;1.93,-8.65,;5.92,-6.35,;7.25,-5.57,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ERK5 using myelin basic protein as substrate by [gamm33P]ATP based HotSpot radiometric assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116015 BindingDB Entry DOI: 10.7270/Q2TF021T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50559467 (CHEMBL4763016) Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2cccc(F)c2C1=O |r,wU:7.6,wD:10.10,(51.72,-32.35,;52.07,-33.85,;50.87,-34.83,;49.54,-34.06,;48.21,-34.83,;48.21,-36.37,;46.88,-37.14,;46.88,-38.67,;48.21,-39.44,;48.21,-40.98,;46.87,-41.74,;46.87,-43.28,;45.55,-40.97,;45.55,-39.44,;49.54,-37.14,;50.88,-36.37,;52.1,-37.32,;53.61,-36.96,;54.5,-38.23,;56.04,-38.09,;56.69,-36.68,;55.8,-35.42,;56.44,-34.03,;54.26,-35.56,;53.59,-34.17,;54.53,-32.96,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ERK5 using myelin basic protein as substrate by [gamm33P]ATP based HotSpot radiometric assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116015 BindingDB Entry DOI: 10.7270/Q2TF021T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50559471 (CHEMBL4745137) Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(F)ccc(F)c2C1=O |r,wU:7.6,wD:10.10,(68.13,-33.18,;68.49,-34.68,;67.28,-35.65,;65.95,-34.89,;64.63,-35.66,;64.62,-37.2,;63.29,-37.97,;63.29,-39.5,;64.63,-40.27,;64.62,-41.81,;63.28,-42.57,;63.28,-44.11,;61.96,-41.8,;61.96,-40.27,;65.96,-37.97,;67.29,-37.2,;68.51,-38.15,;70.02,-37.79,;70.91,-39.05,;70.26,-40.45,;72.45,-38.92,;73.1,-37.51,;72.21,-36.25,;72.85,-34.86,;70.68,-36.39,;70,-35,;70.95,-33.79,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ERK5 using myelin basic protein as substrate by [gamm33P]ATP based HotSpot radiometric assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116015 BindingDB Entry DOI: 10.7270/Q2TF021T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50559476 (CHEMBL4796417) Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2ccccc2C1=O |r,wU:7.6,wD:10.10,(41.22,-16.18,;41.58,-17.68,;40.37,-18.65,;39.04,-17.89,;37.72,-18.66,;37.71,-20.2,;36.38,-20.97,;36.38,-22.5,;37.72,-23.27,;37.71,-24.81,;36.37,-25.57,;36.37,-27.11,;35.05,-24.8,;35.05,-23.27,;39.04,-20.97,;40.38,-20.2,;41.6,-21.15,;43.11,-20.79,;44,-22.05,;45.54,-21.92,;46.19,-20.51,;45.3,-19.25,;43.77,-19.39,;43.09,-18,;44.03,-16.79,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	266	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ERK5 using myelin basic protein as substrate by [gamm33P]ATP based HotSpot radiometric assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116015 BindingDB Entry DOI: 10.7270/Q2TF021T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50559474 (CHEMBL4790464) Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(F)cccc2C1=O |r,wU:7.6,wD:10.10,(8.39,-31.5,;8.74,-32.99,;7.54,-33.97,;6.21,-33.21,;4.88,-33.97,;4.88,-35.51,;3.55,-36.28,;3.55,-37.82,;4.88,-38.58,;4.87,-40.12,;3.54,-40.89,;3.53,-42.42,;2.22,-40.11,;2.22,-38.58,;6.21,-36.28,;7.55,-35.51,;8.77,-36.47,;10.28,-36.1,;11.17,-37.37,;10.52,-38.76,;12.71,-37.23,;13.36,-35.82,;12.47,-34.56,;10.93,-34.7,;10.26,-33.31,;11.2,-32.1,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	393	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ERK5 using myelin basic protein as substrate by [gamm33P]ATP based HotSpot radiometric assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116015 BindingDB Entry DOI: 10.7270/Q2TF021T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50559473 (CHEMBL4788992) Show SMILES CN1c2cnc(N[C@H]3CC[C@H](O)CC3)cc2Oc2c(Cl)cccc2C1=O |r,wU:7.6,wD:10.10,(22.76,-32.3,;23.12,-33.79,;21.92,-34.77,;20.58,-34.01,;19.26,-34.78,;19.26,-36.32,;17.93,-37.08,;17.93,-38.62,;19.26,-39.39,;19.25,-40.93,;17.92,-41.69,;17.91,-43.23,;16.59,-40.91,;16.6,-39.39,;20.59,-37.09,;21.92,-36.31,;23.15,-37.27,;24.66,-36.91,;25.54,-38.17,;24.89,-39.56,;27.08,-38.04,;27.73,-36.63,;26.84,-35.37,;25.31,-35.51,;24.63,-34.12,;25.58,-32.91,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ERK5 using myelin basic protein as substrate by [gamm33P]ATP based HotSpot radiometric assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116015 BindingDB Entry DOI: 10.7270/Q2TF021T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50559472 (CHEMBL4758899) Show SMILES COc1cccc2c1Oc1cc(N[C@H]3CC[C@H](O)CC3)ncc1N(C)C2=O |r,wU:13.13,wD:16.17,(37.79,-40.16,;39.32,-40.03,;39.96,-38.64,;41.5,-38.5,;42.16,-37.09,;41.27,-35.83,;39.73,-35.97,;39.08,-37.37,;37.57,-37.73,;36.35,-36.78,;35.01,-37.55,;33.68,-36.78,;32.35,-37.55,;32.35,-39.09,;33.68,-39.85,;33.67,-41.39,;32.34,-42.16,;32.33,-43.69,;31.01,-41.38,;31.02,-39.85,;33.68,-35.24,;35.01,-34.47,;36.34,-35.24,;37.54,-34.26,;37.18,-32.76,;39.05,-34.58,;40,-33.37,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ERK5 using myelin basic protein as substrate by [gamm33P]ATP based HotSpot radiometric assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116015 BindingDB Entry DOI: 10.7270/Q2TF021T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50559479 (CHEMBL4747052) Show SMILES CN1c2ccccc2C(=O)N(C)c2cnc(N[C@@H]3CC[C@H](O)CC3)cc12 |r,wU:17.17,20.21,(39.97,-8.02,;40.3,-6.52,;41.81,-6.15,;42.69,-7.42,;44.23,-7.28,;44.88,-5.87,;43.99,-4.61,;42.46,-4.75,;41.78,-3.36,;42.73,-2.15,;40.27,-3.04,;39.91,-1.55,;39.07,-4.02,;37.74,-3.26,;36.41,-4.02,;36.41,-5.56,;35.08,-6.33,;35.08,-7.87,;33.75,-8.63,;33.74,-10.16,;35.07,-10.94,;35.06,-12.47,;36.4,-10.17,;36.41,-8.63,;37.74,-6.33,;39.08,-5.56,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ERK5 using myelin basic protein as substrate by [gamm33P]ATP based HotSpot radiometric assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116015 BindingDB Entry DOI: 10.7270/Q2TF021T
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 7 (Homo sapiens (Human))	BDBM50559477 (CHEMBL4798210) Show SMILES CCO[C@@H]1CCCC[C@@H]1Nc1cc2N(C)c3ccccc3C(=O)N(C)c2cn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of recombinant human ERK5 using myelin basic protein as substrate by [gamm33P]ATP based HotSpot radiometric assay				Citation and Details Article DOI: 10.1016/j.bmc.2021.116015 BindingDB Entry DOI: 10.7270/Q2TF021T
					More data for this Ligand-Target Pair