Compile Data Set for Download or QSAR

Found 298 hits with Last Name = 'suto' and Initial = 'mj'   

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
Thrombospondin-1 (Homo sapiens)	BDBM50541838 (CHEMBL4649483) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C17H33N5O5/c1-10(2)8-13(15(19)25)22-16(26)12(6-4-5-7-18)21-17(27)14(9-23)20-11(3)24/h10,12-14,23H,4-9,18H2,1-3H3,(H2,19,25)(H,20,24)(H,21,27)(H,22,26)/t12-,13-,14+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA				ACS Med Chem Lett 11: 1130-1136 (2020) Article DOI: 10.1021/acsmedchemlett.9b00540 BindingDB Entry DOI: 10.7270/Q2M330BV
					More data for this Ligand-Target Pair
Thrombospondin-1 (Homo sapiens)	BDBM50541831 (CHEMBL4644535) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN(C)C)NC(=O)[C@H](CO)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C19H37N5O5/c1-12(2)10-15(17(20)27)23-18(28)14(8-6-7-9-24(4)5)22-19(29)16(11-25)21-13(3)26/h12,14-16,25H,6-11H2,1-5H3,(H2,20,27)(H,21,26)(H,22,29)(H,23,28)/t14-,15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA				ACS Med Chem Lett 11: 1130-1136 (2020) Article DOI: 10.1021/acsmedchemlett.9b00540 BindingDB Entry DOI: 10.7270/Q2M330BV
					More data for this Ligand-Target Pair
Thrombospondin-1 (Homo sapiens)	BDBM50541837 (CHEMBL4642848) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C17H33N5O5/c1-10(2)8-13(15(19)25)22-16(26)12(6-4-5-7-18)21-17(27)14(9-23)20-11(3)24/h10,12-14,23H,4-9,18H2,1-3H3,(H2,19,25)(H,20,24)(H,21,27)(H,22,26)/t12-,13+,14+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA				ACS Med Chem Lett 11: 1130-1136 (2020) Article DOI: 10.1021/acsmedchemlett.9b00540 BindingDB Entry DOI: 10.7270/Q2M330BV
					More data for this Ligand-Target Pair
Thrombospondin-1 (Homo sapiens)	BDBM50541836 (CHEMBL4642780) Show SMILES CC(C)C[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C17H33N5O5/c1-10(2)8-13(15(19)25)22-16(26)12(6-4-5-7-18)21-17(27)14(9-23)20-11(3)24/h10,12-14,23H,4-9,18H2,1-3H3,(H2,19,25)(H,20,24)(H,21,27)(H,22,26)/t12-,13+,14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA				ACS Med Chem Lett 11: 1130-1136 (2020) Article DOI: 10.1021/acsmedchemlett.9b00540 BindingDB Entry DOI: 10.7270/Q2M330BV
					More data for this Ligand-Target Pair
Thrombospondin-1 (Homo sapiens)	BDBM50541828 (CHEMBL4633877) Show SMILES CC(C)C[C@H](N(C)C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C18H35N5O5/c1-11(2)9-15(16(20)26)23(4)18(28)13(7-5-6-8-19)22-17(27)14(10-24)21-12(3)25/h11,13-15,24H,5-10,19H2,1-4H3,(H2,20,26)(H,21,25)(H,22,27)/t13-,14-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA				ACS Med Chem Lett 11: 1130-1136 (2020) Article DOI: 10.1021/acsmedchemlett.9b00540 BindingDB Entry DOI: 10.7270/Q2M330BV
					More data for this Ligand-Target Pair
Thrombospondin-1 (Homo sapiens)	BDBM50541833 (CHEMBL4636492) Show SMILES CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O |r| Show InChI InChI=1S/C19H37N5O5/c1-11(2)10-15(17(27)21-5)24-18(28)14(8-6-7-9-20)23-19(29)16(12(3)25)22-13(4)26/h11-12,14-16,25H,6-10,20H2,1-5H3,(H,21,27)(H,22,26)(H,23,29)(H,24,28)/t12-,14-,15+,16+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA				ACS Med Chem Lett 11: 1130-1136 (2020) Article DOI: 10.1021/acsmedchemlett.9b00540 BindingDB Entry DOI: 10.7270/Q2M330BV
					More data for this Ligand-Target Pair
Thrombospondin-1 (Homo sapiens)	BDBM50541832 (CHEMBL4648099) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)C(=O)N(C)C |r| Show InChI InChI=1S/C19H37N5O5/c1-12(2)10-15(19(29)24(4)5)23-17(27)14(8-6-7-9-20)22-18(28)16(11-25)21-13(3)26/h12,14-16,25H,6-11,20H2,1-5H3,(H,21,26)(H,22,28)(H,23,27)/t14-,15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA				ACS Med Chem Lett 11: 1130-1136 (2020) Article DOI: 10.1021/acsmedchemlett.9b00540 BindingDB Entry DOI: 10.7270/Q2M330BV
					More data for this Ligand-Target Pair
Thrombospondin-1 (Homo sapiens)	BDBM50541830 (CHEMBL4647669) Show SMILES CNCCCC[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C18H35N5O5/c1-11(2)9-14(16(19)26)23-17(27)13(7-5-6-8-20-4)22-18(28)15(10-24)21-12(3)25/h11,13-15,20,24H,5-10H2,1-4H3,(H2,19,26)(H,21,25)(H,22,28)(H,23,27)/t13-,14-,15-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA				ACS Med Chem Lett 11: 1130-1136 (2020) Article DOI: 10.1021/acsmedchemlett.9b00540 BindingDB Entry DOI: 10.7270/Q2M330BV
					More data for this Ligand-Target Pair
Thrombospondin-1 (Homo sapiens)	BDBM50541826 (CHEMBL4644244) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C17H33N5O5/c1-10(2)8-13(15(19)25)22-16(26)12(6-4-5-7-18)21-17(27)14(9-23)20-11(3)24/h10,12-14,23H,4-9,18H2,1-3H3,(H2,19,25)(H,20,24)(H,21,27)(H,22,26)/t12-,13-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA				ACS Med Chem Lett 11: 1130-1136 (2020) Article DOI: 10.1021/acsmedchemlett.9b00540 BindingDB Entry DOI: 10.7270/Q2M330BV
					More data for this Ligand-Target Pair
Thrombospondin-1 (Homo sapiens)	BDBM50541839 (CHEMBL4649293) Show SMILES CC(=O)N[C@@H](CCCN)C(=O)NC(C)(C)C(N)=O |r| Show InChI InChI=1S/C11H22N4O3/c1-7(16)14-8(5-4-6-12)9(17)15-11(2,3)10(13)18/h8H,4-6,12H2,1-3H3,(H2,13,18)(H,14,16)(H,15,17)/t8-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA				ACS Med Chem Lett 11: 1130-1136 (2020) Article DOI: 10.1021/acsmedchemlett.9b00540 BindingDB Entry DOI: 10.7270/Q2M330BV
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50365262 ((+)-JQ1 | (S)-JQ1 (1) | CHEMBL1957266 | JQ1 | US10...) Show SMILES Cc1nnc2[C@H](CC(=O)OC(C)(C)C)N=C(c3c(C)c(C)sc3-n12)c1ccc(Cl)cc1 |r,c:14| Show InChI InChI=1S/C23H25ClN4O2S/c1-12-13(2)31-22-19(12)20(15-7-9-16(24)10-8-15)25-17(11-18(29)30-23(4,5)6)21-27-26-14(3)28(21)22/h7-10,17H,11H2,1-6H3/t17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128696 BindingDB Entry DOI: 10.7270/Q2SX6J8J
					More data for this Ligand-Target Pair
Thrombospondin-1 (Homo sapiens)	BDBM50541827 (CHEMBL4644046) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C18H34N6O5/c1-10(2)8-13(16(21)27)24-17(28)12(6-4-5-7-19)23-18(29)14(9-15(20)26)22-11(3)25/h10,12-14H,4-9,19H2,1-3H3,(H2,20,26)(H2,21,27)(H,22,25)(H,23,29)(H,24,28)/t12-,13-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA				ACS Med Chem Lett 11: 1130-1136 (2020) Article DOI: 10.1021/acsmedchemlett.9b00540 BindingDB Entry DOI: 10.7270/Q2M330BV
					More data for this Ligand-Target Pair
Thrombospondin-1 (Homo sapiens)	BDBM50541834 (CHEMBL4644197) Show SMILES CCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O |r| Show InChI InChI=1S/C18H35N5O5/c1-4-15(25)21-14(10-24)18(28)22-12(7-5-6-8-19)17(27)23-13(16(20)26)9-11(2)3/h11-14,24H,4-10,19H2,1-3H3,(H2,20,26)(H,21,25)(H,22,28)(H,23,27)/t12-,13-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA				ACS Med Chem Lett 11: 1130-1136 (2020) Article DOI: 10.1021/acsmedchemlett.9b00540 BindingDB Entry DOI: 10.7270/Q2M330BV
					More data for this Ligand-Target Pair
Thrombospondin-1 (Homo sapiens)	BDBM50541835 (CHEMBL4645518) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(C)=O)C(N)=O |r| Show InChI InChI=1S/C16H31N5O4/c1-10(2)8-13(15(18)24)21-16(25)12(6-4-5-7-17)20-14(23)9-19-11(3)22/h10,12-13H,4-9,17H2,1-3H3,(H2,18,24)(H,19,22)(H,20,23)(H,21,25)/t12-,13-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA				ACS Med Chem Lett 11: 1130-1136 (2020) Article DOI: 10.1021/acsmedchemlett.9b00540 BindingDB Entry DOI: 10.7270/Q2M330BV
					More data for this Ligand-Target Pair
Thrombospondin-1 (Homo sapiens)	BDBM50541829 (CHEMBL4638959) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CO)NC(C)=O)C(N)=O |r| Show InChI InChI=1S/C19H35N5O6/c1-11(2)9-15(17(20)28)24-18(29)14(7-5-6-8-21-12(3)26)23-19(30)16(10-25)22-13(4)27/h11,14-16,25H,5-10H2,1-4H3,(H2,20,28)(H,21,26)(H,22,27)(H,23,30)(H,24,29)/t14-,15-,16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Inhibition of TSP1 in human myeloma cells assessed reduction in TGFbeta activity incubated for 1 hr by ELISA				ACS Med Chem Lett 11: 1130-1136 (2020) Article DOI: 10.1021/acsmedchemlett.9b00540 BindingDB Entry DOI: 10.7270/Q2M330BV
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM15339 (6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-qui...) Show SMILES Cc1c(nc2ccc(F)cc2c1C(O)=O)-c1ccc(cc1)-c1ccccc1F Show InChI InChI=1S/C23H15F2NO2/c1-13-21(23(27)28)18-12-16(24)10-11-20(18)26-22(13)15-8-6-14(7-9-15)17-4-2-3-5-19(17)25/h2-12H,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length C-terminal MYC/DDk-tagged DHODH using decylubiquinone as substrate measured for 1 hr by DCIP absorbance a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02183 BindingDB Entry DOI: 10.7270/Q2W3814Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Transcription factor Jun (Homo sapiens (Human))	BDBM50092879 (2-Chloro-4-methyl-pyrimidine-5-carboxylic acid (3,...) Show SMILES Cc1nc(Cl)ncc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C14H8ClF6N3O/c1-6-10(5-22-12(15)23-6)11(25)24-9-3-7(13(16,17)18)2-8(4-9)14(19,20)21/h2-5H,1H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells				J Med Chem 43: 3995-4004 (2000) BindingDB Entry DOI: 10.7270/Q26M363N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50399434 (CHEMBL2179387) Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1 Show InChI InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128696 BindingDB Entry DOI: 10.7270/Q2SX6J8J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nuclear factor NF-kappa-B p105 subunit (Homo sapiens (Human))	BDBM50062648 (2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...) Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F Show InChI InChI=1S/C14H5ClF9N3O/c15-11-25-4-8(9(27-11)14(22,23)24)10(28)26-7-2-5(12(16,17)18)1-6(3-7)13(19,20)21/h1-4H,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Jurkat T-Cells stably transfected with an Nuclear factor kappa B transcription factor				J Med Chem 41: 413-9 (1998) Article DOI: 10.1021/jm970671g BindingDB Entry DOI: 10.7270/Q2P55MMZ
					More data for this Ligand-Target Pair
Cyclic AMP-dependent transcription factor ATF-1 (Homo sapiens (Human))	BDBM50062648 (2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...) Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F Show InChI InChI=1S/C14H5ClF9N3O/c15-11-25-4-8(9(27-11)14(22,23)24)10(28)26-7-2-5(12(16,17)18)1-6(3-7)13(19,20)21/h1-4H,(H,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Jurkat T-Cells stably transfected with activating transcription factor 1				J Med Chem 41: 413-9 (1998) Article DOI: 10.1021/jm970671g BindingDB Entry DOI: 10.7270/Q2P55MMZ
					More data for this Ligand-Target Pair
Transcription factor Jun (Homo sapiens (Human))	BDBM50062648 (2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...) Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F Show InChI InChI=1S/C14H5ClF9N3O/c15-11-25-4-8(9(27-11)14(22,23)24)10(28)26-7-2-5(12(16,17)18)1-6(3-7)13(19,20)21/h1-4H,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells				J Med Chem 43: 3995-4004 (2000) BindingDB Entry DOI: 10.7270/Q26M363N
					More data for this Ligand-Target Pair
Transcription factor Jun (Homo sapiens (Human))	BDBM50092877 (2-Fluoro-4-trifluoromethyl-pyrimidine-5-carboxylic...) Show SMILES Fc1ncc(C(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(n1)C(F)(F)F Show InChI InChI=1S/C14H5F10N3O/c15-11-25-4-8(9(27-11)14(22,23)24)10(28)26-7-2-5(12(16,17)18)1-6(3-7)13(19,20)21/h1-4H,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells				J Med Chem 43: 3995-4004 (2000) BindingDB Entry DOI: 10.7270/Q26M363N
					More data for this Ligand-Target Pair
Cyclic AMP-dependent transcription factor ATF-1 (Homo sapiens (Human))	BDBM50062645 (3-[(2-Chloro-4-trifluoromethyl-pyrimidine-5-carbon...) Show SMILES CCCCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F Show InChI InChI=1S/C18H14ClF6N3O3/c1-2-3-4-31-15(30)9-5-10(17(20,21)22)7-11(6-9)27-14(29)12-8-26-16(19)28-13(12)18(23,24)25/h5-8H,2-4H2,1H3,(H,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Jurkat T-Cells stably transfected with activating transcription factor 1				J Med Chem 41: 413-9 (1998) Article DOI: 10.1021/jm970671g BindingDB Entry DOI: 10.7270/Q2P55MMZ
					More data for this Ligand-Target Pair
Cyclic AMP-dependent transcription factor ATF-1 (Homo sapiens (Human))	BDBM50062658 (3-[(2-Chloro-4-trifluoromethyl-pyrimidine-5-carbon...) Show SMILES CCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F Show InChI InChI=1S/C16H10ClF6N3O3/c1-2-29-13(28)7-3-8(15(18,19)20)5-9(4-7)25-12(27)10-6-24-14(17)26-11(10)16(21,22)23/h3-6H,2H2,1H3,(H,25,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Jurkat T-Cells stably transfected with activating transcription factor 1				J Med Chem 41: 413-9 (1998) Article DOI: 10.1021/jm970671g BindingDB Entry DOI: 10.7270/Q2P55MMZ
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit (Homo sapiens (Human))	BDBM50062645 (3-[(2-Chloro-4-trifluoromethyl-pyrimidine-5-carbon...) Show SMILES CCCCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F Show InChI InChI=1S/C18H14ClF6N3O3/c1-2-3-4-31-15(30)9-5-10(17(20,21)22)7-11(6-9)27-14(29)12-8-26-16(19)28-13(12)18(23,24)25/h5-8H,2-4H2,1H3,(H,27,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Jurkat T-Cells stably transfected with an Nuclear factor kappa B transcription factor				J Med Chem 41: 413-9 (1998) Article DOI: 10.1021/jm970671g BindingDB Entry DOI: 10.7270/Q2P55MMZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50600176 (CHEMBL5183863) Show SMILES CN1Cc2cc(NS(=O)(=O)c3cc(ccc3F)C(F)(F)F)ccc2NC1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128696 BindingDB Entry DOI: 10.7270/Q2SX6J8J
					More data for this Ligand-Target Pair
Transcription factor Jun (Homo sapiens (Human))	BDBM50092882 (2,4-Dichloro-pyrimidine-5-carboxylic acid (3,5-bis...) Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2Cl)cc(c1)C(F)(F)F Show InChI InChI=1S/C13H5Cl2F6N3O/c14-9-8(4-22-11(15)24-9)10(25)23-7-2-5(12(16,17)18)1-6(3-7)13(19,20)21/h1-4H,(H,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells				J Med Chem 43: 3995-4004 (2000) BindingDB Entry DOI: 10.7270/Q26M363N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50399434 (CHEMBL2179387) Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1 Show InChI InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128696 BindingDB Entry DOI: 10.7270/Q2SX6J8J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50600183 (CHEMBL5180188) Show SMILES CN1Cc2cc(NS(=O)(=O)c3cccc4cccnc34)ccc2NC1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128696 BindingDB Entry DOI: 10.7270/Q2SX6J8J
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit (Homo sapiens (Human))	BDBM50062658 (3-[(2-Chloro-4-trifluoromethyl-pyrimidine-5-carbon...) Show SMILES CCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F Show InChI InChI=1S/C16H10ClF6N3O3/c1-2-29-13(28)7-3-8(15(18,19)20)5-9(4-7)25-12(27)10-6-24-14(17)26-11(10)16(21,22)23/h3-6H,2H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Jurkat T-Cells stably transfected with an Nuclear factor kappa B transcription factor				J Med Chem 41: 413-9 (1998) Article DOI: 10.1021/jm970671g BindingDB Entry DOI: 10.7270/Q2P55MMZ
					More data for this Ligand-Target Pair
Transcription factor Jun (Homo sapiens (Human))	BDBM50092872 (2-Chloro-4-ethyl-pyrimidine-5-carboxylic acid (3,5...) Show SMILES CCc1nc(Cl)ncc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C15H10ClF6N3O/c1-2-11-10(6-23-13(16)25-11)12(26)24-9-4-7(14(17,18)19)3-8(5-9)15(20,21)22/h3-6H,2H2,1H3,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells				J Med Chem 43: 3995-4004 (2000) BindingDB Entry DOI: 10.7270/Q26M363N
					More data for this Ligand-Target Pair
Transcription factor Jun (Homo sapiens (Human))	BDBM50092890 (2-Chloro-pyrimidine-5-carboxylic acid (3,5-bis-tri...) Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C13H6ClF6N3O/c14-11-21-4-6(5-22-11)10(24)23-9-2-7(12(15,16)17)1-8(3-9)13(18,19)20/h1-5H,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells				J Med Chem 43: 3995-4004 (2000) BindingDB Entry DOI: 10.7270/Q26M363N
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50576030 (CHEMBL4860581) Show SMILES COc1cc2CCCCCc2cc1C(=O)Nc1ccc(cc1)C(C)(C)C#N Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE 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 human recombinant full length C-terminal MYC/DDk-tagged DHODH using decylubiquinone as substrate measured for 1 hr by DCIP absorbance a...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02183 BindingDB Entry DOI: 10.7270/Q2W3814Z
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50600184 (CHEMBL5182381) Show SMILES CN1Cc2cc(NS(=O)(=O)c3ccc(F)c(C)c3)ccc2NC1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128696 BindingDB Entry DOI: 10.7270/Q2SX6J8J
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit (Homo sapiens (Human))	BDBM50062669 (2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...) Show SMILES FC(F)(F)c1ccc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc1 Show InChI InChI=1S/C13H6ClF6N3O/c14-11-21-5-8(9(23-11)13(18,19)20)10(24)22-7-3-1-6(2-4-7)12(15,16)17/h1-5H,(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Jurkat T-Cells stably transfected with an Nuclear factor kappa B transcription factor				J Med Chem 41: 413-9 (1998) Article DOI: 10.1021/jm970671g BindingDB Entry DOI: 10.7270/Q2P55MMZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50600177 (CHEMBL5197705) Show SMILES CN1Cc2cc(NS(=O)(=O)c3ccc4ncsc4c3)ccc2NC1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128696 BindingDB Entry DOI: 10.7270/Q2SX6J8J
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50600178 (CHEMBL5207755) Show SMILES CN1Cc2cc(NS(=O)(=O)c3cc(F)cc(F)c3F)ccc2NC1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128696 BindingDB Entry DOI: 10.7270/Q2SX6J8J
					More data for this Ligand-Target Pair
Transcription factor Jun (Homo sapiens (Human))	BDBM50092883 (2-Chloro-4-phenyl-pyrimidine-5-carboxylic acid (3,...) Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2-c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C19H10ClF6N3O/c20-17-27-9-14(15(29-17)10-4-2-1-3-5-10)16(30)28-13-7-11(18(21,22)23)6-12(8-13)19(24,25)26/h1-9H,(H,28,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells				J Med Chem 43: 3995-4004 (2000) BindingDB Entry DOI: 10.7270/Q26M363N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50600185 (CHEMBL5173109) Show SMILES CN1Cc2cc(NS(=O)(=O)c3ccc(N)cc3)ccc2NC1=O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128696 BindingDB Entry DOI: 10.7270/Q2SX6J8J
					More data for this Ligand-Target Pair
Cyclic AMP-dependent transcription factor ATF-1 (Homo sapiens (Human))	BDBM50062669 (2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...) Show SMILES FC(F)(F)c1ccc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc1 Show InChI InChI=1S/C13H6ClF6N3O/c14-11-21-5-8(9(23-11)13(18,19)20)10(24)22-7-3-1-6(2-4-7)12(15,16)17/h1-5H,(H,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Jurkat T-Cells stably transfected with activating transcription factor 1				J Med Chem 41: 413-9 (1998) Article DOI: 10.1021/jm970671g BindingDB Entry DOI: 10.7270/Q2P55MMZ
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit (Homo sapiens (Human))	BDBM50062661 (2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...) Show SMILES FC(F)(F)c1nc(Cl)ncc1C(=O)Nc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C12H5Cl3F3N3O/c13-5-1-6(14)3-7(2-5)20-10(22)8-4-19-11(15)21-9(8)12(16,17)18/h1-4H,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Jurkat T-Cells stably transfected with an Nuclear factor kappa B transcription factor				J Med Chem 41: 413-9 (1998) Article DOI: 10.1021/jm970671g BindingDB Entry DOI: 10.7270/Q2P55MMZ
					More data for this Ligand-Target Pair
Cyclic AMP-dependent transcription factor ATF-1 (Homo sapiens (Human))	BDBM50062661 (2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...) Show SMILES FC(F)(F)c1nc(Cl)ncc1C(=O)Nc1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C12H5Cl3F3N3O/c13-5-1-6(14)3-7(2-5)20-10(22)8-4-19-11(15)21-9(8)12(16,17)18/h1-4H,(H,20,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Jurkat T-Cells stably transfected with activating transcription factor 1				J Med Chem 41: 413-9 (1998) Article DOI: 10.1021/jm970671g BindingDB Entry DOI: 10.7270/Q2P55MMZ
					More data for this Ligand-Target Pair
Cyclic AMP-dependent transcription factor ATF-1 (Homo sapiens (Human))	BDBM50062663 (2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...) Show SMILES FC(F)(F)c1nc(Cl)ncc1C(=O)Nc1cc(Cl)nc(Cl)n1 Show InChI InChI=1S/C10H3Cl3F3N5O/c11-4-1-5(20-9(13)18-4)19-7(22)3-2-17-8(12)21-6(3)10(14,15)16/h1-2H,(H,18,19,20,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Jurkat T-Cells stably transfected with activating transcription factor 1				J Med Chem 41: 413-9 (1998) Article DOI: 10.1021/jm970671g BindingDB Entry DOI: 10.7270/Q2P55MMZ
					More data for this Ligand-Target Pair
Transcription factor Jun (Homo sapiens (Human))	BDBM50092871 (2-Chloro-4-propyl-pyrimidine-5-carboxylic acid (3,...) Show SMILES CCCc1nc(Cl)ncc1C(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H12ClF6N3O/c1-2-3-12-11(7-24-14(17)26-12)13(27)25-10-5-8(15(18,19)20)4-9(6-10)16(21,22)23/h4-7H,2-3H2,1H3,(H,25,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells				J Med Chem 43: 3995-4004 (2000) BindingDB Entry DOI: 10.7270/Q26M363N
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50600194 (CHEMBL5187326) Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc2[nH]c(=O)n(C)c2c1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmcl.2022.128696 BindingDB Entry DOI: 10.7270/Q2SX6J8J
					More data for this Ligand-Target Pair
Transcription factor Jun (Homo sapiens (Human))	BDBM50092880 (2-Chloro-4-pentafluoroethyl-pyrimidine-5-carboxyli...) Show SMILES FC(F)(F)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)C(F)(F)F)cc(c1)C(F)(F)F Show InChI InChI=1S/C15H5ClF11N3O/c16-11-28-4-8(9(30-11)12(17,18)15(25,26)27)10(31)29-7-2-5(13(19,20)21)1-6(3-7)14(22,23)24/h1-4H,(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit activator protein-1(AP-1) mediated transcriptional activation in human Jurkat T-cells				J Med Chem 43: 3995-4004 (2000) BindingDB Entry DOI: 10.7270/Q26M363N
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit (Homo sapiens (Human))	BDBM50062653 (3-[(2-Chloro-4-trifluoromethyl-pyrimidine-5-carbon...) Show SMILES CCCCCCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F Show InChI InChI=1S/C20H18ClF6N3O3/c1-2-3-4-5-6-33-17(32)11-7-12(19(22,23)24)9-13(8-11)29-16(31)14-10-28-18(21)30-15(14)20(25,26)27/h7-10H,2-6H2,1H3,(H,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Jurkat T-Cells stably transfected with an Nuclear factor kappa B transcription factor				J Med Chem 41: 413-9 (1998) Article DOI: 10.1021/jm970671g BindingDB Entry DOI: 10.7270/Q2P55MMZ
					More data for this Ligand-Target Pair
Cyclic AMP-dependent transcription factor ATF-1 (Homo sapiens (Human))	BDBM50062653 (3-[(2-Chloro-4-trifluoromethyl-pyrimidine-5-carbon...) Show SMILES CCCCCCOC(=O)c1cc(NC(=O)c2cnc(Cl)nc2C(F)(F)F)cc(c1)C(F)(F)F Show InChI InChI=1S/C20H18ClF6N3O3/c1-2-3-4-5-6-33-17(32)11-7-12(19(22,23)24)9-13(8-11)29-16(31)14-10-28-18(21)30-15(14)20(25,26)27/h7-10H,2-6H2,1H3,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Jurkat T-Cells stably transfected with activating transcription factor 1				J Med Chem 41: 413-9 (1998) Article DOI: 10.1021/jm970671g BindingDB Entry DOI: 10.7270/Q2P55MMZ
					More data for this Ligand-Target Pair
DNA gyrase subunit A/B (Escherichia coli (strain K12))	BDBM50230839 (CHEMBL15087) Show SMILES NC1CCN(C1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1 Show InChI InChI=1S/C17H18FN3O3/c18-13-5-11-14(6-15(13)20-4-3-9(19)7-20)21(10-1-2-10)8-12(16(11)22)17(23)24/h5-6,8-10H,1-4,7,19H2,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	754	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition against DNA gyrase				J Med Chem 36: 871-82 (1993) Article DOI: 10.1021/jm00059a012 BindingDB Entry DOI: 10.7270/Q22R3VDP
					More data for this Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit (Homo sapiens (Human))	BDBM50062663 (2-Chloro-4-trifluoromethyl-pyrimidine-5-carboxylic...) Show SMILES FC(F)(F)c1nc(Cl)ncc1C(=O)Nc1cc(Cl)nc(Cl)n1 Show InChI InChI=1S/C10H3Cl3F3N5O/c11-4-1-5(20-9(13)18-4)19-7(22)3-2-17-8(12)21-6(3)10(14,15)16/h1-2H,(H,18,19,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Signal Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Jurkat T-Cells stably transfected with an Nuclear factor kappa B transcription factor				J Med Chem 41: 413-9 (1998) Article DOI: 10.1021/jm970671g BindingDB Entry DOI: 10.7270/Q2P55MMZ
					More data for this Ligand-Target Pair

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