Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50011518   

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 kinase kinase kinase 4 (Homo sapiens (Human))	BDBM50548191 (CHEMBL4793665) Show SMILES CCN1CCC(CC1)c1ncc(s1)-c1cnc(N)c(OCc2ccncc2)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HGK using MBP as substrate assessed as residual activity by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548192 (CHEMBL4749141) Show SMILES Nc1ncc(cc1OCc1ccncc1)-c1cnc(s1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548194 (CHEMBL4762312) Show SMILES Nc1ncc(-c2cnn(c2)C2CCNCC2)c2cc(oc12)-c1c(Cl)ccc(F)c1Cl Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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 GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 5 (Homo sapiens (Human))	BDBM50548191 (CHEMBL4793665) Show SMILES CCN1CCC(CC1)c1ncc(s1)-c1cnc(N)c(OCc2ccncc2)c1 Show InChI	NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human KHS using MBP as substrate assessed as residual activity by [gamma-33P]-ATP assay relative to control				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1 (Homo sapiens (Human))	BDBM50548191 (CHEMBL4793665) Show SMILES CCN1CCC(CC1)c1ncc(s1)-c1cnc(N)c(OCc2ccncc2)c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HPK1 using MBP as substrate assessed as residual activity by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Hexokinase-4 (Homo sapiens (Human))	BDBM50548191 (CHEMBL4793665) Show SMILES CCN1CCC(CC1)c1ncc(s1)-c1cnc(N)c(OCc2ccncc2)c1 Show InChI	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	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human GCK using MBP as substrate by [gamma-33P]-ATP assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548196 (CHEMBL4753188) Show SMILES Nc1ncc(-c2cnn(c2)C2CCNCC2)c2ccc(nc12)-c1cccc(F)c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548191 (CHEMBL4793665) Show SMILES CCN1CCC(CC1)c1ncc(s1)-c1cnc(N)c(OCc2ccncc2)c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548195 (CHEMBL4782885) Show SMILES Nc1ncc(-c2cnn(c2)C2CCNCC2)c2cc(oc12)-c1cccc(F)c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50510309 (CHEMBL4568440) Show SMILES CCC(Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl Show InChI InChI=1S/C22H24Cl2FN5O/c1-2-18(20-16(23)3-4-17(25)21(20)24)31-19-9-13(10-28-22(19)26)14-11-29-30(12-14)15-5-7-27-8-6-15/h3-4,9-12,15,18,27H,2,5-8H2,1H3,(H2,26,28)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50510309 (CHEMBL4568440) Show SMILES CCC(Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl Show InChI InChI=1S/C22H24Cl2FN5O/c1-2-18(20-16(23)3-4-17(25)21(20)24)31-19-9-13(10-28-22(19)26)14-11-29-30(12-14)15-5-7-27-8-6-15/h3-4,9-12,15,18,27H,2,5-8H2,1H3,(H2,26,28)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548222 (CHEMBL4790577) Show SMILES Nc1ncc(cc1NCc1c(Cl)ccc(F)c1Cl)-c1cnn(c1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548211 (CHEMBL4788727) Show SMILES Nc1ncc(cc1OCc1ccncc1)-c1cnn(c1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548193 (CHEMBL4785602) Show SMILES Nc1ncc(cc1OC1CCCCC1)-c1cnc(s1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50510315 (CHEMBL518323) Show SMILES Nc1ncc(cc1OCc1c(Cl)ccc(F)c1Cl)-c1cnn(c1)C1CCNCC1 Show InChI InChI=1S/C20H20Cl2FN5O/c21-16-1-2-17(23)19(22)15(16)11-29-18-7-12(8-26-20(18)24)13-9-27-28(10-13)14-3-5-25-6-4-14/h1-2,7-10,14,25H,3-6,11H2,(H2,24,26)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50306682 ((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...) Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548215 (CHEMBL4757394) Show SMILES Nc1ncc(cc1OCC1CCCCC1)-c1cnn(c1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548216 (CHEMBL4790293) Show SMILES Nc1ncc(cc1OC1CCCCC1)-c1cnn(c1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548197 (CHEMBL4761177) Show SMILES Nc1ncc(cc1OCC1CCCCC1)-c1cnc(s1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548212 (CHEMBL4742776) Show SMILES Nc1ncc(cc1OCc1ccnnc1)-c1cnn(c1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548191 (CHEMBL4793665) Show SMILES CCN1CCC(CC1)c1ncc(s1)-c1cnc(N)c(OCc2ccncc2)c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) transfected in human 293T cells co-transfected with GFP-fused PKCtheta assessed as reduction in PKCtheta phosphory...				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548228 (CHEMBL4755070) Show SMILES Nc1ncc(cc1C#Cc1ccccc1)-c1cnn(c1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548200 (CHEMBL4757177) Show SMILES C[C@@H](Oc1nc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548225 (CHEMBL4782953) Show SMILES Nc1ncc(cc1COc1ccccc1)-c1cnn(c1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548229 (CHEMBL4744805) Show SMILES Nc1ncc(-c2cnn(c2)C2CCNCC2)c2ccc(cc12)-c1cccc(F)c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548202 (CHEMBL4751159) Show SMILES Nc1ncc(cc1OCc1ccccc1C(F)(F)F)-c1cnn(c1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548218 (CHEMBL4778070) Show SMILES Nc1ncc(cc1OCc1ccccc1Cl)-c1cnn(c1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548223 (CHEMBL4780336) Show SMILES Nc1ncc(cc1OCc1ccccc1)-c1cnn(c1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548201 (CHEMBL4757014) Show SMILES COc1ccccc1COc1cc(cnc1N)-c1cnn(c1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548227 (CHEMBL4782872) Show SMILES Nc1ncc(cc1C(=O)Nc1ccccc1)-c1cnn(c1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548197 (CHEMBL4761177) Show SMILES Nc1ncc(cc1OCC1CCCCC1)-c1cnc(s1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	258	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) transfected in human 293T cells co-transfected with GFP-fused PKCtheta assessed as reduction in PKCtheta phosphory...				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548192 (CHEMBL4749141) Show SMILES Nc1ncc(cc1OCc1ccncc1)-c1cnc(s1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	278	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) transfected in human 293T cells co-transfected with GFP-fused PKCtheta assessed as reduction in PKCtheta phosphory...				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548224 (CHEMBL4743396) Show SMILES Nc1ncc(cc1CCc1ccccc1)-c1cnn(c1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548203 (CHEMBL4788337) Show SMILES Nc1ncc(cc1OCc1cccc(Cl)c1)-c1cnn(c1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548214 (CHEMBL4741426) Show SMILES Cn1cncc1COc1cc(cnc1N)-c1cnn(c1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548192 (CHEMBL4749141) Show SMILES Nc1ncc(cc1OCc1ccncc1)-c1cnc(s1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	434	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK in human T cells assessed as reduction in PKCtheta phosphorylation by Western blot analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548196 (CHEMBL4753188) Show SMILES Nc1ncc(-c2cnn(c2)C2CCNCC2)c2ccc(nc12)-c1cccc(F)c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) transfected in human 293T cells co-transfected with GFP-fused PKCtheta assessed as reduction in PKCtheta phosphory...				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548205 (CHEMBL4793638) Show SMILES Nc1ncc(cc1OCc1cccc(c1)C(F)(F)F)-c1cnn(c1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548204 (CHEMBL4749926) Show SMILES COc1cccc(COc2cc(cnc2N)-c2cnn(c2)C2CCNCC2)c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	564	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548193 (CHEMBL4785602) Show SMILES Nc1ncc(cc1OC1CCCCC1)-c1cnc(s1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	645	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) transfected in human 293T cells co-transfected with GFP-fused PKCtheta assessed as reduction in PKCtheta phosphory...				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50352564 (CHEMBL1825141) Show SMILES C[C@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r| Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m0/s1	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548191 (CHEMBL4793665) Show SMILES CCN1CCC(CC1)c1ncc(s1)-c1cnc(N)c(OCc2ccncc2)c1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	711	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK in human T cells assessed as reduction in PKCtheta phosphorylation by Western blot analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548209 (CHEMBL4785806) Show SMILES Nc1ncc(cc1OCc1ccccn1)-c1cnn(c1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548226 (CHEMBL4800136) Show SMILES Nc1ncc(cc1CNc1ccccc1)-c1cnn(c1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548213 (CHEMBL4787335) Show SMILES Cn1cc(COc2cc(cnc2N)-c2cnn(c2)C2CCNCC2)cn1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548207 (CHEMBL4755176) Show SMILES COc1ccc(COc2cc(cnc2N)-c2cnn(c2)C2CCNCC2)cc1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548210 (CHEMBL4786008) Show SMILES Nc1ncc(cc1OCc1cccnc1)-c1cnn(c1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	890	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) by alphascreen assay				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50510309 (CHEMBL4568440) Show SMILES CCC(Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl Show InChI InChI=1S/C22H24Cl2FN5O/c1-2-18(20-16(23)3-4-17(25)21(20)24)31-19-9-13(10-28-22(19)26)14-11-29-30(12-14)15-5-7-27-8-6-15/h3-4,9-12,15,18,27H,2,5-8H2,1H3,(H2,26,28)	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) transfected in human 293T cells co-transfected with GFP-fused PKCtheta assessed as reduction in PKCtheta phosphory...				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548194 (CHEMBL4762312) Show SMILES Nc1ncc(-c2cnn(c2)C2CCNCC2)c2cc(oc12)-c1c(Cl)ccc(F)c1Cl Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK (unknown origin) transfected in human 293T cells co-transfected with GFP-fused PKCtheta assessed as reduction in PKCtheta phosphory...				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3 (Homo sapiens (Human))	BDBM50548193 (CHEMBL4785602) Show SMILES Nc1ncc(cc1OC1CCCCC1)-c1cnc(s1)C1CCNCC1 Show InChI	PDB NCI pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of GLK in human T cells assessed as reduction in PKCtheta phosphorylation by Western blot analysis				Citation and Details Article DOI: 10.1016/j.bmcl.2018.03.032 BindingDB Entry DOI: 10.7270/Q2X3522N
					More data for this Ligand-Target Pair

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