Compile Data Set for Download or QSAR

Found 319 hits with Last Name = 'fontenot' and Initial = 'j'   

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)
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50108782 (CHEMBL3596639) Show SMILES CN(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CCCCC1)-c1cc(ccc1Cl)C(N)=O Show InChI InChI=1S/C26H24Cl2FN3O2/c1-31(26(34)24-20(28)6-5-7-21(24)29)22-11-9-16(15-23(22)32-12-3-2-4-13-32)18-14-17(25(30)33)8-10-19(18)27/h5-11,14-15H,2-4,12-13H2,1H3,(H2,30,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inverse agonist activity at human recombinant GST-tagged RORgammat ligand binding domain assessed as effect on receptor-biotin tagged TRAP220 co-acti...				Bioorg Med Chem Lett 25: 2991-7 (2015) Article DOI: 10.1016/j.bmcl.2015.05.026 BindingDB Entry DOI: 10.7270/Q2ZP47XQ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50105928 (CHEMBL3598047) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1S/C27H29ClFN5O2/c1-15(2)34-23(12-25(31-34)30-16(3)35)17-8-9-22(24(11-17)33-13-18-10-19(18)14-33)32(4)27(36)26-20(28)6-5-7-21(26)29/h5-9,11-12,15,18-19H,10,13-14H2,1-4H3,(H,30,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50108775 (CHEMBL3596638) Show SMILES CCN(CC)c1cc(ccc1N(C)C(=O)c1c(F)cccc1Cl)-c1cc(ccc1Cl)C(N)=O Show InChI InChI=1S/C25H24Cl2FN3O2/c1-4-31(5-2)22-14-15(17-13-16(24(29)32)9-11-18(17)26)10-12-21(22)30(3)25(33)23-19(27)7-6-8-20(23)28/h6-14H,4-5H2,1-3H3,(H2,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inverse agonist activity at human recombinant GST-tagged RORgammat ligand binding domain assessed as effect on receptor-biotin tagged TRAP220 co-acti...				Bioorg Med Chem Lett 25: 2991-7 (2015) Article DOI: 10.1016/j.bmcl.2015.05.026 BindingDB Entry DOI: 10.7270/Q2ZP47XQ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50106011 (CHEMBL3598077) Show SMILES CC(C)c1nc(NC(C)=O)sc1-c1cnc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CCCCC1 Show InChI InChI=1S/C26H29ClFN5O2S/c1-15(2)22-23(36-26(31-22)30-16(3)34)17-13-20(33-11-6-5-7-12-33)24(29-14-17)32(4)25(35)21-18(27)9-8-10-19(21)28/h8-10,13-15H,5-7,11-12H2,1-4H3,(H,30,31,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50105992 (CHEMBL3598061) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)CO)nn1C(C)C Show InChI InChI=1S/C27H29ClFN5O3/c1-15(2)34-22(11-24(31-34)30-25(36)14-35)16-7-8-21(23(10-16)33-12-17-9-18(17)13-33)32(3)27(37)26-19(28)5-4-6-20(26)29/h4-8,10-11,15,17-18,35H,9,12-14H2,1-3H3,(H,30,31,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50105981 (CHEMBL3598052) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(Cl)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1S/C27H29Cl2N5O2/c1-15(2)34-23(12-25(31-34)30-16(3)35)17-8-9-22(24(11-17)33-13-18-10-19(18)14-33)32(4)27(36)26-20(28)6-5-7-21(26)29/h5-9,11-12,15,18-19H,10,13-14H2,1-4H3,(H,30,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50105930 (CHEMBL3598049) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CCCCC1)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1S/C27H31ClFN5O2/c1-17(2)34-23(16-25(31-34)30-18(3)35)19-11-12-22(24(15-19)33-13-6-5-7-14-33)32(4)27(36)26-20(28)9-8-10-21(26)29/h8-12,15-17H,5-7,13-14H2,1-4H3,(H,30,31,35)/i4D3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50105982 (CHEMBL3598053) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(C)cccc1F)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1S/C28H32FN5O2/c1-16(2)34-24(13-26(31-34)30-18(4)35)19-9-10-23(25(12-19)33-14-20-11-21(20)15-33)32(5)28(36)27-17(3)7-6-8-22(27)29/h6-10,12-13,16,20-21H,11,14-15H2,1-5H3,(H,30,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50105985 (CHEMBL3598055) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC=O)nn1C(C)C Show InChI InChI=1S/C26H27ClFN5O2/c1-15(2)33-22(11-24(30-33)29-14-34)16-7-8-21(23(10-16)32-12-17-9-18(17)13-32)31(3)26(35)25-19(27)5-4-6-20(25)28/h4-8,10-11,14-15,17-18H,9,12-13H2,1-3H3,(H,29,30,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50105988 (CHEMBL3598056) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)CC)nn1C(C)C Show InChI InChI=1S/C28H31ClFN5O2/c1-5-26(36)31-25-13-23(35(32-25)16(2)3)17-9-10-22(24(12-17)34-14-18-11-19(18)15-34)33(4)28(37)27-20(29)7-6-8-21(27)30/h6-10,12-13,16,18-19H,5,11,14-15H2,1-4H3,(H,31,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50105933 (CHEMBL3598051) Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1ccc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CC2CC2C1 Show InChI InChI=1S/C27H29ClFN5O2/c1-15(2)34-23(12-25(31-34)30-16(3)35)17-8-9-22(24(11-17)33-13-18-10-19(18)14-33)32(4)27(36)26-20(28)6-5-7-21(26)29/h5-9,11-12,15,18-19H,10,13-14H2,1-4H3,(H,30,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50105990 (CHEMBL3598057) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)C2CC2)nn1C(C)C Show InChI InChI=1S/C29H31ClFN5O2/c1-16(2)36-24(13-26(33-36)32-28(37)17-7-8-17)18-9-10-23(25(12-18)35-14-19-11-20(19)15-35)34(3)29(38)27-21(30)5-4-6-22(27)31/h4-6,9-10,12-13,16-17,19-20H,7-8,11,14-15H2,1-3H3,(H,32,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50106002 (CHEMBL3598070) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C1CCCC1 Show InChI InChI=1S/C29H31ClFN5O2/c1-17(37)32-27-14-25(36(33-27)21-6-3-4-7-21)18-10-11-24(26(13-18)35-15-19-12-20(19)16-35)34(2)29(38)28-22(30)8-5-9-23(28)31/h5,8-11,13-14,19-21H,3-4,6-7,12,15-16H2,1-2H3,(H,32,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50106003 (CHEMBL3598071) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C1CCC1 Show InChI InChI=1S/C28H29ClFN5O2/c1-16(36)31-26-13-24(35(32-26)20-5-3-6-20)17-9-10-23(25(12-17)34-14-18-11-19(18)15-34)33(2)28(37)27-21(29)7-4-8-22(27)30/h4,7-10,12-13,18-20H,3,5-6,11,14-15H2,1-2H3,(H,31,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50105995 (CHEMBL3598063) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)NC)nn1C(C)C Show InChI InChI=1S/C27H30ClFN6O2/c1-15(2)35-22(12-24(32-35)31-27(37)30-3)16-8-9-21(23(11-16)34-13-17-10-18(17)14-34)33(4)26(36)25-19(28)6-5-7-20(25)29/h5-9,11-12,15,17-18H,10,13-14H2,1-4H3,(H2,30,31,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50106009 (CHEMBL3598076) Show SMILES CC(C)n1nc(NC(C)=O)cc1-c1cnc(N(C)C(=O)c2c(F)cccc2Cl)c(c1)N1CCCCC1 Show InChI InChI=1S/C26H30ClFN6O2/c1-16(2)34-21(14-23(31-34)30-17(3)35)18-13-22(33-11-6-5-7-12-33)25(29-15-18)32(4)26(36)24-19(27)9-8-10-20(24)28/h8-10,13-16H,5-7,11-12H2,1-4H3,(H,30,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50106007 (CHEMBL3598074) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1CC1CC1 Show InChI InChI=1S/C28H29ClFN5O2/c1-16(36)31-26-12-24(35(32-26)13-17-6-7-17)18-8-9-23(25(11-18)34-14-19-10-20(19)15-34)33(2)28(37)27-21(29)4-3-5-22(27)30/h3-5,8-9,11-12,17,19-20H,6-7,10,13-15H2,1-2H3,(H,31,32,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50106008 (CHEMBL3598075) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C(C)C1CC1 Show InChI InChI=1S/C29H31ClFN5O2/c1-16(18-7-8-18)36-25(13-27(33-36)32-17(2)37)19-9-10-24(26(12-19)35-14-20-11-21(20)15-35)34(3)29(38)28-22(30)5-4-6-23(28)31/h4-6,9-10,12-13,16,18,20-21H,7-8,11,14-15H2,1-3H3,(H,32,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50105929 (CHEMBL3598048) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CCCC1)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1S/C26H29ClFN5O2/c1-16(2)33-22(15-24(30-33)29-17(3)34)18-10-11-21(23(14-18)32-12-5-6-13-32)31(4)26(35)25-19(27)8-7-9-20(25)28/h7-11,14-16H,5-6,12-13H2,1-4H3,(H,29,30,34)/i4D3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					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))	BDBM50105984 (CHEMBL3598054) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ncc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1S/C26H28ClFN6O2/c1-14(2)34-21(10-23(31-34)30-15(3)35)16-9-22(33-12-17-8-18(17)13-33)25(29-11-16)32(4)26(36)24-19(27)6-5-7-20(24)28/h5-7,9-11,14,17-18H,8,12-13H2,1-4H3,(H,30,31,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50105998 (CHEMBL3598065) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)N2CC(O)C2)nn1C(C)C Show InChI InChI=1S/C29H32ClFN6O3/c1-16(2)37-24(11-26(33-37)32-29(40)36-14-20(38)15-36)17-7-8-23(25(10-17)35-12-18-9-19(18)13-35)34(3)28(39)27-21(30)5-4-6-22(27)31/h4-8,10-11,16,18-20,38H,9,12-15H2,1-3H3,(H,32,33,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50108770 (CHEMBL3596635) Show SMILES CN(C(=O)c1c(F)cccc1Cl)c1ncc(cc1OCC1CCC1)-c1cc(ccc1Cl)C(N)=O Show InChI InChI=1S/C25H22Cl2FN3O3/c1-31(25(33)22-19(27)6-3-7-20(22)28)24-21(34-13-14-4-2-5-14)11-16(12-30-24)17-10-15(23(29)32)8-9-18(17)26/h3,6-12,14H,2,4-5,13H2,1H3,(H2,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inverse agonist activity at human recombinant GST-tagged RORgammat ligand binding domain assessed as effect on receptor-biotin tagged TRAP220 co-acti...				Bioorg Med Chem Lett 25: 2991-7 (2015) Article DOI: 10.1016/j.bmcl.2015.05.026 BindingDB Entry DOI: 10.7270/Q2ZP47XQ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50108770 (CHEMBL3596635) Show SMILES CN(C(=O)c1c(F)cccc1Cl)c1ncc(cc1OCC1CCC1)-c1cc(ccc1Cl)C(N)=O Show InChI InChI=1S/C25H22Cl2FN3O3/c1-31(25(33)22-19(27)6-3-7-20(22)28)24-21(34-13-14-4-2-5-14)11-16(12-30-24)17-10-15(23(29)32)8-9-18(17)26/h3,6-12,14H,2,4-5,13H2,1H3,(H2,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inverse agonist activity at human recombinant GST-tagged RORgammat ligand binding domain assessed as effect on receptor-biotin tagged TRAP220 co-acti...				Bioorg Med Chem Lett 25: 2991-7 (2015) Article DOI: 10.1016/j.bmcl.2015.05.026 BindingDB Entry DOI: 10.7270/Q2ZP47XQ
					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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50108898 (CHEMBL3596629) Show SMILES CCCOc1cc(ccc1N(C)C(=O)c1c(F)cccc1Cl)-c1cc(ccc1Cl)C(N)=O Show InChI InChI=1S/C24H21Cl2FN2O3/c1-3-11-32-21-13-14(16-12-15(23(28)30)7-9-17(16)25)8-10-20(21)29(2)24(31)22-18(26)5-4-6-19(22)27/h4-10,12-13H,3,11H2,1-2H3,(H2,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inverse agonist activity at human recombinant GST-tagged RORgammat ligand binding domain assessed as effect on receptor-biotin tagged TRAP220 co-acti...				Bioorg Med Chem Lett 25: 2991-7 (2015) Article DOI: 10.1016/j.bmcl.2015.05.026 BindingDB Entry DOI: 10.7270/Q2ZP47XQ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50108900 (CHEMBL3596631) Show SMILES CN(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cc(ccc1Cl)C(N)=O Show InChI InChI=1S/C23H16Cl2F4N2O3/c1-31(22(33)20-16(25)3-2-4-17(20)26)18-8-6-12(10-19(18)34-11-23(27,28)29)14-9-13(21(30)32)5-7-15(14)24/h2-10H,11H2,1H3,(H2,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inverse agonist activity at human recombinant GST-tagged RORgammat ligand binding domain assessed as effect on receptor-biotin tagged TRAP220 co-acti...				Bioorg Med Chem Lett 25: 2991-7 (2015) Article DOI: 10.1016/j.bmcl.2015.05.026 BindingDB Entry DOI: 10.7270/Q2ZP47XQ
					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	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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50105991 (CHEMBL3598060) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)[C@H]2C[C@H](O)C2)nn1C(C)C |r,wU:33.36,wD:35.39,(.26,3.23,;1.33,3.85,;.26,4.46,;1.32,4.88,;2.66,3.08,;2.67,1.54,;3.73,.93,;1.33,.77,;1.33,-.77,;2.4,-1.39,;,-1.54,;-1.33,-.77,;-1.33,.77,;,1.54,;,2.77,;4,3.86,;5.33,3.09,;6.66,3.86,;6.66,5.4,;5.33,6.17,;4,5.4,;2.66,6.17,;1.44,5.49,;.22,6.2,;.22,7.6,;1.43,8.27,;2.65,7.56,;8,6.17,;8.14,7.69,;9.64,8.01,;10.27,9.42,;11.8,9.58,;12.53,8.58,;12.43,10.98,;11.85,12.37,;13.29,12.93,;13.79,14.05,;13.85,11.49,;10.42,6.68,;9.39,5.53,;9.7,4.03,;10.87,3.64,;8.78,3.21,)| Show InChI InChI=1S/C30H33ClFN5O3/c1-16(2)37-25(13-27(34-37)33-29(39)18-10-21(38)11-18)17-7-8-24(26(12-17)36-14-19-9-20(19)15-36)35(3)30(40)28-22(31)5-4-6-23(28)32/h4-8,12-13,16,18-21,38H,9-11,14-15H2,1-3H3,(H,33,34,39)/t18-,19?,20?,21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50106004 (CHEMBL3598072) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(C)=O)nn1CC(C)(C)C Show InChI InChI=1S/C29H33ClFN5O2/c1-17(37)32-26-13-24(36(33-26)16-29(2,3)4)18-9-10-23(25(12-18)35-14-19-11-20(19)15-35)34(5)28(38)27-21(30)7-6-8-22(27)31/h6-10,12-13,19-20H,11,14-16H2,1-5H3,(H,32,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50105932 (CHEMBL3598050) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1-c1ccccc1)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1S/C28H26ClFN4O2/c1-17(2)34-25(16-26(32-34)31-18(3)35)20-13-14-24(21(15-20)19-9-6-5-7-10-19)33(4)28(36)27-22(29)11-8-12-23(27)30/h5-17H,1-4H3,(H,31,32,35)/i4D3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50105997 (CHEMBL3598064) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)N2CC3(COC3)C2)nn1C(C)C Show InChI InChI=1S/C31H34ClFN6O3/c1-18(2)39-25(11-27(35-39)34-30(41)38-14-31(15-38)16-42-17-31)19-7-8-24(26(10-19)37-12-20-9-21(20)13-37)36(3)29(40)28-22(32)5-4-6-23(28)33/h4-8,10-11,18,20-21H,9,12-17H2,1-3H3,(H,34,35,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50105925 (CHEMBL3598044) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC1CCC1)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1S/C27H30ClFN4O3/c1-16(2)33-23(14-25(31-33)30-17(3)34)19-11-12-22(24(13-19)36-15-18-7-5-8-18)32(4)27(35)26-20(28)9-6-10-21(26)29/h6,9-14,16,18H,5,7-8,15H2,1-4H3,(H,30,31,34)/i4D3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50106000 (CHEMBL3598066) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)NCCO)nn1C(C)C Show InChI InChI=1S/C28H32ClFN6O3/c1-16(2)36-23(13-25(33-36)32-28(39)31-9-10-37)17-7-8-22(24(12-17)35-14-18-11-19(18)15-35)34(3)27(38)26-20(29)5-4-6-21(26)30/h4-8,12-13,16,18-19,37H,9-11,14-15H2,1-3H3,(H2,31,32,33,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50108685 (CHEMBL3596633) Show SMILES CN(C(=O)c1c(F)cccc1Cl)c1ncc(cc1OCC(F)(F)F)-c1cc(ccc1Cl)C(N)=O Show InChI InChI=1S/C22H15Cl2F4N3O3/c1-31(21(33)18-15(24)3-2-4-16(18)25)20-17(34-10-22(26,27)28)8-12(9-30-20)13-7-11(19(29)32)5-6-14(13)23/h2-9H,10H2,1H3,(H2,29,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inverse agonist activity at human recombinant GST-tagged RORgammat ligand binding domain assessed as effect on receptor-biotin tagged TRAP220 co-acti...				Bioorg Med Chem Lett 25: 2991-7 (2015) Article DOI: 10.1016/j.bmcl.2015.05.026 BindingDB Entry DOI: 10.7270/Q2ZP47XQ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50106001 (CHEMBL3598068) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1N1CC2CC2C1)-c1cc(NC(=O)OC(C)C)nn1C(C)C Show InChI InChI=1S/C29H33ClFN5O3/c1-16(2)36-24(13-26(33-36)32-29(38)39-17(3)4)18-9-10-23(25(12-18)35-14-19-11-20(19)15-35)34(5)28(37)27-21(30)7-6-8-22(27)31/h6-10,12-13,16-17,19-20H,11,14-15H2,1-5H3,(H,32,33,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50108899 (CHEMBL3596630) Show SMILES CCCCOc1cc(ccc1N(C)C(=O)c1c(F)cccc1Cl)-c1cc(ccc1Cl)C(N)=O Show InChI InChI=1S/C25H23Cl2FN2O3/c1-3-4-12-33-22-14-15(17-13-16(24(29)31)8-10-18(17)26)9-11-21(22)30(2)25(32)23-19(27)6-5-7-20(23)28/h5-11,13-14H,3-4,12H2,1-2H3,(H2,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inverse agonist activity at human recombinant GST-tagged RORgammat ligand binding domain assessed as effect on receptor-biotin tagged TRAP220 co-acti...				Bioorg Med Chem Lett 25: 2991-7 (2015) Article DOI: 10.1016/j.bmcl.2015.05.026 BindingDB Entry DOI: 10.7270/Q2ZP47XQ
					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
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50105924 (CHEMBL3598043) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cc(NC(C)=O)nn1C(C)C Show InChI InChI=1S/C24H23ClF4N4O3/c1-13(2)33-19(11-21(31-33)30-14(3)34)15-8-9-18(20(10-15)36-12-24(27,28)29)32(4)23(35)22-16(25)6-5-7-17(22)26/h5-11,13H,12H2,1-4H3,(H,30,31,34)/i4D3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50105919 (CHEMBL3596632) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cc(ccc1Cl)C(N)=O Show InChI InChI=1S/C23H16Cl2F4N2O3/c1-31(22(33)20-16(25)3-2-4-17(20)26)18-8-6-12(10-19(18)34-11-23(27,28)29)14-9-13(21(30)32)5-7-15(14)24/h2-10H,11H2,1H3,(H2,30,32)/i1D3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Idec Inc. Curated by ChEMBL					Assay Description Inverse agonist activity at human recombinant GST-tagged RORgammat ligand binding domain assessed as effect on receptor-biotin tagged TRAP220 co-acti...				Bioorg Med Chem Lett 25: 2991-7 (2015) Article DOI: 10.1016/j.bmcl.2015.05.026 BindingDB Entry DOI: 10.7270/Q2ZP47XQ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM50105919 (CHEMBL3596632) Show SMILES [2H]C([2H])([2H])N(C(=O)c1c(F)cccc1Cl)c1ccc(cc1OCC(F)(F)F)-c1cc(ccc1Cl)C(N)=O Show InChI InChI=1S/C23H16Cl2F4N2O3/c1-31(22(33)20-16(25)3-2-4-17(20)26)18-8-6-12(10-19(18)34-11-23(27,28)29)14-9-13(21(30)32)5-7-15(14)24/h2-10H,11H2,1H3,(H2,30,32)/i1D3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Biogen Curated by ChEMBL					Assay Description Binding affinity to GST-tagged RORgamma LBD (unknown origin) assessed as inhibition of interaction with co-activatior peptide TRAP220 preincubated fo...				Bioorg Med Chem Lett 25: 2985-90 (2015) Article DOI: 10.1016/j.bmcl.2015.05.028 BindingDB Entry DOI: 10.7270/Q2X3508H
					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

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