Compile Data Set for Download or QSAR

Found 96 hits with Last Name = 'fontenot' and Initial = 'jd'   

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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161155 (CHEMBL3793229) Show SMILES Cc1ccc(cc1C)S(=O)(=O)N(CC(F)(F)F)c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl Show InChI InChI=1S/C18H18ClN3O/c1-22-8-7-12-9-14(19)16-17(21-18(23)20-16)15(12)13(10-22)11-5-3-2-4-6-11/h2-6,9,13H,7-8,10H2,1H3,(H2,20,21,23)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161156 (CHEMBL3793914) Show SMILES Cn1ccc2c(cccc12)S(=O)(=O)N(CC(F)(F)F)c1ccc2N(CCCc2c1)C(=O)c1cccs1 Show InChI InChI=1S/C20H20ClN3S/c1-24-9-8-12-10-14(21)18-19(23-20(25)22-18)16(12)17-13-5-3-2-4-11(13)6-7-15(17)24/h2-5,10,15,17H,6-9H2,1H3,(H2,22,23,25)/t15-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161154 (CHEMBL3793036) Show SMILES Cn1ccc2c(cccc12)S(=O)(=O)N(CC(F)(F)F)c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H19ClN2OS/c1-23-9-8-12-10-14(21)18-19(25-20(24)22-18)16(12)17-13-5-3-2-4-11(13)6-7-15(17)23/h2-5,10,15,17H,6-9H2,1H3,(H,22,24)/t15-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161145 (CHEMBL3793667) Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H11ClF9NO3S/c18-11-2-1-3-13(8-11)32(30,31)28(9-14(19,20)21)12-6-4-10(5-7-12)15(29,16(22,23)24)17(25,26)27/h1-8,29H,9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					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))	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))	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))	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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161157 (CHEMBL3792836) Show SMILES Cc1ccc(cc1C)S(=O)(=O)N(CC(F)(F)F)c1ccc2N(CCCc2c1)C(=O)c1cccs1 Show InChI InChI=1S/C17H16ClN3/c18-15-8-12-6-7-19-9-13(11-4-2-1-3-5-11)16(12)14-10-20-21-17(14)15/h1-5,8,10,13,19H,6-7,9H2,(H,20,21)/t13-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM19993 (CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...) Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	204	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161110 (CHEMBL3792639) Show SMILES Cc1cc(O)ccc1-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc2n(C)ccc12 Show InChI InChI=1S/C24H21F3N2O3S/c1-16-14-19(30)10-11-20(16)17-6-8-18(9-7-17)29(15-24(25,26)27)33(31,32)23-5-3-4-22-21(23)12-13-28(22)2/h3-14,30H,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50108881 (CHEMBL3596591) Show SMILES NC(=O)c1ccc(Cl)c(c1)-c1ccc2N(CCCc2c1)C(=O)c1c(F)cccc1Cl Show InChI InChI=1S/C23H17Cl2FN2O2/c24-17-8-6-15(22(27)29)12-16(17)13-7-9-20-14(11-13)3-2-10-28(20)23(30)21-18(25)4-1-5-19(21)26/h1,4-9,11-12H,2-3,10H2,(H2,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161109 (CHEMBL3793855) Show SMILES Cc1cc(O)ccc1-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C21H17ClF3NO3S/c1-14-11-18(27)9-10-20(14)15-5-7-17(8-6-15)26(13-21(23,24)25)30(28,29)19-4-2-3-16(22)12-19/h2-12,27H,13H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161107 (CHEMBL3793430) Show SMILES Cc1cc2nccn2cc1-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C22H17ClF3N3O2S/c1-15-11-21-27-9-10-28(21)13-20(15)16-5-7-18(8-6-16)29(14-22(24,25)26)32(30,31)19-4-2-3-17(23)12-19/h2-13H,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50161106 (CHEMBL3792498) Show SMILES Cc1cc(CO)ccc1-c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1cccc2n(C)ccc12 Show InChI InChI=1S/C25H23F3N2O3S/c1-17-14-18(15-31)6-11-21(17)19-7-9-20(10-8-19)30(16-25(26,27)28)34(32,33)24-5-3-4-23-22(24)12-13-29(23)2/h3-14,31H,15-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Inverse agonist activity at recombinant human GST-tagged ROR-gamma receptor ligand binding domain assessed as inhibition of receptor and co-activator...				Bioorg Med Chem Lett 26: 2459-63 (2016) Article DOI: 10.1016/j.bmcl.2016.03.109 BindingDB Entry DOI: 10.7270/Q2QC05DC
					More data for this Ligand-Target Pair

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