Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'brown' and Initial = 'nf'   

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 8 (Homo sapiens (Human))	BDBM50392983 (CHEMBL2152383) Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H]2[C@H]3C[C@H]4C[C@@H]2C[C@](O)(C4)C3)c(=O)c2cccnc2n1-c1ccccc1 |r,TLB:26:23:20:16.17.18,THB:18:17:22:20.19.25,18:19:16.17.26:22,15:16:22:20.19.25,24:23:20:16.17.18| Show InChI InChI=1S/C34H33N3O5/c1-42-33(40)29-27(30(38)26-8-5-13-35-31(26)37(29)25-6-3-2-4-7-25)16-20-9-11-22(12-10-20)32(39)36-28-23-14-21-15-24(28)19-34(41,17-21)18-23/h2-13,21,23-24,28,41H,14-19H2,1H3,(H,36,39)/t21-,23-,24+,28-,34-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA Curated by ChEMBL					Assay Description Inhibition of JNK1 after 30 mins by TR-FRET assay				ACS Med Chem Lett 3: 764-768 (2012) Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50392984 (CHEMBL2152384) Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H](CO)C(C)(C)C)c(=O)c2cccnc2n1-c1ccccc1 |r| Show InChI InChI=1S/C30H31N3O5/c1-30(2,3)24(18-34)32-28(36)20-14-12-19(13-15-20)17-23-25(29(37)38-4)33(21-9-6-5-7-10-21)27-22(26(23)35)11-8-16-31-27/h5-16,24,34H,17-18H2,1-4H3,(H,32,36)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
TBA Curated by ChEMBL					Assay Description Inhibition of JNK1 after 30 mins by TR-FRET assay				ACS Med Chem Lett 3: 764-768 (2012) Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50392990 (CHEMBL2152390) Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H]2CC[C@H](O)CC2)c(=O)c2ccc(C)nc2n1-c1ccccc1 |r,wU:16.16,wD:19.20,(1.04,-20.36,;-.3,-19.58,;-.29,-18.04,;1.04,-17.28,;-1.62,-17.27,;-1.62,-15.72,;-.28,-14.95,;-.29,-13.41,;1.04,-12.64,;1.04,-11.1,;-.3,-10.34,;-1.63,-11.12,;-1.62,-12.65,;-.3,-8.8,;1.03,-8.02,;-1.64,-8.03,;-1.64,-6.49,;-2.98,-5.73,;-2.98,-4.19,;-1.65,-3.42,;-1.65,-1.88,;-.31,-4.19,;-.31,-5.72,;-2.97,-14.93,;-2.97,-13.39,;-4.31,-15.71,;-5.64,-14.95,;-6.97,-15.72,;-6.97,-17.26,;-8.31,-18.03,;-5.64,-18.03,;-4.31,-17.27,;-2.97,-18.04,;-2.97,-19.57,;-4.31,-20.34,;-4.32,-21.88,;-2.98,-22.65,;-1.64,-21.88,;-1.65,-20.34,)| Show InChI InChI=1S/C31H31N3O5/c1-19-8-17-25-28(36)26(27(31(38)39-2)34(29(25)32-19)23-6-4-3-5-7-23)18-20-9-11-21(12-10-20)30(37)33-22-13-15-24(35)16-14-22/h3-12,17,22,24,35H,13-16,18H2,1-2H3,(H,33,37)/t22-,24-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JNK1 after 30 mins by TR-FRET assay				ACS Med Chem Lett 3: 764-768 (2012) Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50392982 (CHEMBL2152382) Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)NCCO)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C27H23ClN2O5/c1-35-27(34)24-22(15-17-7-9-18(10-8-17)26(33)29-13-14-31)25(32)21-12-11-19(28)16-23(21)30(24)20-5-3-2-4-6-20/h2-12,16,31H,13-15H2,1H3,(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JNK1 after 30 mins by TR-FRET assay				ACS Med Chem Lett 3: 764-768 (2012) Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50392986 (CHEMBL2152386) Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)NCC(C)(C)O)c(=O)c2cccnc2n1-c1ccccc1 Show InChI InChI=1S/C28H27N3O5/c1-28(2,35)17-30-26(33)19-13-11-18(12-14-19)16-22-23(27(34)36-3)31(20-8-5-4-6-9-20)25-21(24(22)32)10-7-15-29-25/h4-15,35H,16-17H2,1-3H3,(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JNK1 after 30 mins by TR-FRET assay				ACS Med Chem Lett 3: 764-768 (2012) Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50392988 (CHEMBL2152388) Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)NC(C)(C)CO)c(=O)c2cccnc2n1-c1ccccc1 Show InChI InChI=1S/C28H27N3O5/c1-28(2,17-32)30-26(34)19-13-11-18(12-14-19)16-22-23(27(35)36-3)31(20-8-5-4-6-9-20)25-21(24(22)33)10-7-15-29-25/h4-15,32H,16-17H2,1-3H3,(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JNK1 after 30 mins by TR-FRET assay				ACS Med Chem Lett 3: 764-768 (2012) Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50392989 (CHEMBL2152389) Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)NC2(CO)CC2)c(=O)c2cccnc2n1-c1ccccc1 Show InChI InChI=1S/C28H25N3O5/c1-36-27(35)23-22(16-18-9-11-19(12-10-18)26(34)30-28(17-32)13-14-28)24(33)21-8-5-15-29-25(21)31(23)20-6-3-2-4-7-20/h2-12,15,32H,13-14,16-17H2,1H3,(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JNK1 after 30 mins by TR-FRET assay				ACS Med Chem Lett 3: 764-768 (2012) Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50392985 (CHEMBL2152385) Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@@H]2[C@H]3C[C@H]4C[C@@H]2C[C@](O)(C4)C3)c(=O)c2cccnc2n1-c1ccccc1 |r,TLB:26:23:20:16.17.18,THB:18:17:22:20.19.25,18:19:16.17.26:22,15:16:22:20.19.25,24:23:20:16.17.18| Show InChI InChI=1S/C34H33N3O5/c1-42-33(40)29-27(30(38)26-8-5-13-35-31(26)37(29)25-6-3-2-4-7-25)16-20-9-11-22(12-10-20)32(39)36-28-23-14-21-15-24(28)19-34(41,17-21)18-23/h2-13,21,23-24,28,41H,14-19H2,1H3,(H,36,39)/t21-,23-,24+,28+,34-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JNK1 after 30 mins by TR-FRET assay				ACS Med Chem Lett 3: 764-768 (2012) Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50392992 (CHEMBL2152392) Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H]2[C@H]3C[C@H]4C[C@@H]2C[C@](N)(C4)C3)c(=O)c2cccnc2n1-c1ccccc1 |r,TLB:26:23:20:16.17.18,THB:18:17:22:20.19.25,18:19:16.17.26:22,15:16:22:20.19.25,24:23:20:16.17.18| Show InChI InChI=1S/C34H34N4O4/c1-42-33(41)29-27(30(39)26-8-5-13-36-31(26)38(29)25-6-3-2-4-7-25)16-20-9-11-22(12-10-20)32(40)37-28-23-14-21-15-24(28)19-34(35,17-21)18-23/h2-13,21,23-24,28H,14-19,35H2,1H3,(H,37,40)/t21-,23-,24+,28-,34-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JNK1 after 30 mins by TR-FRET assay				ACS Med Chem Lett 3: 764-768 (2012) Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50392987 (CHEMBL2152387) Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H]2CC[C@H](O)CC2)c(=O)c2cccnc2n1-c1ccccc1 |r,wU:16.16,wD:19.20,(13.6,-20.56,;12.27,-19.79,;12.27,-18.25,;13.61,-17.48,;10.94,-17.47,;10.94,-15.92,;12.28,-15.15,;12.27,-13.61,;13.61,-12.85,;13.61,-11.31,;12.28,-10.54,;10.94,-11.31,;10.95,-12.85,;12.28,-9,;13.61,-8.23,;10.94,-8.23,;10.94,-6.69,;9.61,-5.93,;9.61,-4.38,;10.95,-3.61,;10.95,-2.07,;12.28,-4.39,;12.28,-5.92,;9.59,-15.13,;9.59,-13.59,;8.25,-15.91,;6.92,-15.15,;5.59,-15.92,;5.59,-17.47,;6.92,-18.24,;8.25,-17.47,;9.59,-18.24,;9.59,-19.78,;8.25,-20.54,;8.24,-22.08,;9.58,-22.86,;10.92,-22.08,;10.91,-20.55,)| Show InChI InChI=1S/C30H29N3O5/c1-38-30(37)26-25(27(35)24-8-5-17-31-28(24)33(26)22-6-3-2-4-7-22)18-19-9-11-20(12-10-19)29(36)32-21-13-15-23(34)16-14-21/h2-12,17,21,23,34H,13-16,18H2,1H3,(H,32,36)/t21-,23-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JNK1 after 30 mins by TR-FRET assay				ACS Med Chem Lett 3: 764-768 (2012) Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50392991 (CHEMBL2152391) Show SMILES COC(=O)c1c(Cc2ccc(cc2)S(C)(=O)=O)c(=O)c2cccnc2n1-c1ccccc1 Show InChI InChI=1S/C24H20N2O5S/c1-31-24(28)21-20(15-16-10-12-18(13-11-16)32(2,29)30)22(27)19-9-6-14-25-23(19)26(21)17-7-4-3-5-8-17/h3-14H,15H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	91	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JNK1 after 30 mins by TR-FRET assay				ACS Med Chem Lett 3: 764-768 (2012) Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50273776 (1-Methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-...) Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cccnc1 Show InChI InChI=1S/C15H14N2O/c1-17-14-6-4-11(13-3-2-8-16-10-13)9-12(14)5-7-15(17)18/h2-4,6,8-10H,5,7H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP19A1 (unknown origin)				Bioorg Med Chem Lett 28: 979-984 (2018) Article DOI: 10.1016/j.bmcl.2017.12.015 BindingDB Entry DOI: 10.7270/Q2XG9TQK
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50273776 (1-Methyl-6-pyridin-3-yl-3,4-dihydroquinolin-2(1H)-...) Show SMILES CN1C(=O)CCc2cc(ccc12)-c1cccnc1 Show InChI InChI=1S/C15H14N2O/c1-17-14-6-4-11(13-3-2-8-16-10-13)9-12(14)5-7-15(17)18/h2-4,6,8-10H,5,7H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP17A1 (unknown origin)				Bioorg Med Chem Lett 28: 979-984 (2018) Article DOI: 10.1016/j.bmcl.2017.12.015 BindingDB Entry DOI: 10.7270/Q2XG9TQK
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50047262 ((R)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-y...) Show SMILES N#Cc1ccc(cc1)[C@H]1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	794	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP19A1 (unknown origin)				Bioorg Med Chem Lett 28: 979-984 (2018) Article DOI: 10.1016/j.bmcl.2017.12.015 BindingDB Entry DOI: 10.7270/Q2XG9TQK
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50444549 (CHEMBL3099695) Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N |r| Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP19A1 (unknown origin)				Bioorg Med Chem Lett 28: 979-984 (2018) Article DOI: 10.1016/j.bmcl.2017.12.015 BindingDB Entry DOI: 10.7270/Q2XG9TQK
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50444549 (CHEMBL3099695) Show SMILES Fc1cc(ccc1[C@H]1CCc2cncn12)C#N |r| Show InChI InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP17A1 (unknown origin)				Bioorg Med Chem Lett 28: 979-984 (2018) Article DOI: 10.1016/j.bmcl.2017.12.015 BindingDB Entry DOI: 10.7270/Q2XG9TQK
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50047262 ((R)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-y...) Show SMILES N#Cc1ccc(cc1)[C@H]1CCCc2cncn12 Show InChI InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	<2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP17A1 (unknown origin)				Bioorg Med Chem Lett 28: 979-984 (2018) Article DOI: 10.1016/j.bmcl.2017.12.015 BindingDB Entry DOI: 10.7270/Q2XG9TQK
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50454115 (CHEMBL4207348) Show SMILES CC1(C)Cc2noc(Cc3ccc(cc3)C(=O)N3CC[C@@H](O)C3)c2C(=O)C1 |r| Show InChI InChI=1S/C21H24N2O4/c1-21(2)10-16-19(17(25)11-21)18(27-22-16)9-13-3-5-14(6-4-13)20(26)23-8-7-15(24)12-23/h3-6,15,24H,7-12H2,1-2H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP19A1 (unknown origin)				Bioorg Med Chem Lett 28: 979-984 (2018) Article DOI: 10.1016/j.bmcl.2017.12.015 BindingDB Entry DOI: 10.7270/Q2XG9TQK
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50454114 (CHEMBL4211193) Show SMILES CC1(C)Cc2noc(Cc3ccc(cc3)C(N)=O)c2C(=O)C1 Show InChI InChI=1S/C17H18N2O3/c1-17(2)8-12-15(13(20)9-17)14(22-19-12)7-10-3-5-11(6-4-10)16(18)21/h3-6H,7-9H2,1-2H3,(H2,18,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP19A1 (unknown origin)				Bioorg Med Chem Lett 28: 979-984 (2018) Article DOI: 10.1016/j.bmcl.2017.12.015 BindingDB Entry DOI: 10.7270/Q2XG9TQK
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50454120 (CHEMBL4214618) Show SMILES CN(CCO)C(=O)c1ccc(Cc2onc3CC(C)(C)CC(=O)c23)cc1 Show InChI InChI=1S/C20H24N2O4/c1-20(2)11-15-18(16(24)12-20)17(26-21-15)10-13-4-6-14(7-5-13)19(25)22(3)8-9-23/h4-7,23H,8-12H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP17A1 (unknown origin)				Bioorg Med Chem Lett 28: 979-984 (2018) Article DOI: 10.1016/j.bmcl.2017.12.015 BindingDB Entry DOI: 10.7270/Q2XG9TQK
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50454116 (CHEMBL4207995) Show SMILES CC1(C)Cc2noc(Cc3ccccc3)c2C(=O)C1 Show InChI InChI=1S/C16H17NO2/c1-16(2)9-12-15(13(18)10-16)14(19-17-12)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP19A1 (unknown origin)				Bioorg Med Chem Lett 28: 979-984 (2018) Article DOI: 10.1016/j.bmcl.2017.12.015 BindingDB Entry DOI: 10.7270/Q2XG9TQK
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50454120 (CHEMBL4214618) Show SMILES CN(CCO)C(=O)c1ccc(Cc2onc3CC(C)(C)CC(=O)c23)cc1 Show InChI InChI=1S/C20H24N2O4/c1-20(2)11-15-18(16(24)12-20)17(26-21-15)10-13-4-6-14(7-5-13)19(25)22(3)8-9-23/h4-7,23H,8-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP19A1 (unknown origin)				Bioorg Med Chem Lett 28: 979-984 (2018) Article DOI: 10.1016/j.bmcl.2017.12.015 BindingDB Entry DOI: 10.7270/Q2XG9TQK
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50454119 (CHEMBL4212918) Show SMILES CN1CCN(CC1=O)C(=O)c1ccc(Cc2onc3CC(C)(C)CC(=O)c23)cc1 Show InChI InChI=1S/C22H25N3O4/c1-22(2)11-16-20(17(26)12-22)18(29-23-16)10-14-4-6-15(7-5-14)21(28)25-9-8-24(3)19(27)13-25/h4-7H,8-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP19A1 (unknown origin)				Bioorg Med Chem Lett 28: 979-984 (2018) Article DOI: 10.1016/j.bmcl.2017.12.015 BindingDB Entry DOI: 10.7270/Q2XG9TQK
					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50454113 (CHEMBL4212612) Show SMILES COc1ccc(Cc2onc3CC(C)(C)CC(=O)c23)cc1 Show InChI InChI=1S/C17H19NO3/c1-17(2)9-13-16(14(19)10-17)15(21-18-13)8-11-4-6-12(20-3)7-5-11/h4-7H,8-10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP19A1 (unknown origin)				Bioorg Med Chem Lett 28: 979-984 (2018) Article DOI: 10.1016/j.bmcl.2017.12.015 BindingDB Entry DOI: 10.7270/Q2XG9TQK
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50454118 (CHEMBL1490952) Show SMILES CC1(C)Cc2noc(c2C(=O)C1)-c1ccccc1 Show InChI InChI=1S/C15H15NO2/c1-15(2)8-11-13(12(17)9-15)14(18-16-11)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP17A1 (unknown origin)				Bioorg Med Chem Lett 28: 979-984 (2018) Article DOI: 10.1016/j.bmcl.2017.12.015 BindingDB Entry DOI: 10.7270/Q2XG9TQK
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50454117 (CHEMBL4211126) Show SMILES CC1(C)Cc2noc(Cc3ccc(cc3)S(C)(=O)=O)c2C(=O)C1 Show InChI InChI=1S/C17H19NO4S/c1-17(2)9-13-16(14(19)10-17)15(22-18-13)8-11-4-6-12(7-5-11)23(3,20)21/h4-7H,8-10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP17A1 (unknown origin)				Bioorg Med Chem Lett 28: 979-984 (2018) Article DOI: 10.1016/j.bmcl.2017.12.015 BindingDB Entry DOI: 10.7270/Q2XG9TQK
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50454116 (CHEMBL4207995) Show SMILES CC1(C)Cc2noc(Cc3ccccc3)c2C(=O)C1 Show InChI InChI=1S/C16H17NO2/c1-16(2)9-12-15(13(18)10-16)14(19-17-12)8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP17A1 (unknown origin)				Bioorg Med Chem Lett 28: 979-984 (2018) Article DOI: 10.1016/j.bmcl.2017.12.015 BindingDB Entry DOI: 10.7270/Q2XG9TQK
					More data for this Ligand-Target Pair
Steroid 17-alpha-hydroxylase/17,20 lyase (Homo sapiens (Human))	BDBM50454113 (CHEMBL4212612) Show SMILES COc1ccc(Cc2onc3CC(C)(C)CC(=O)c23)cc1 Show InChI InChI=1S/C17H19NO3/c1-17(2)9-13-16(14(19)10-17)15(21-18-13)8-11-4-6-12(20-3)7-5-11/h4-7H,8-10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of CYP17A1 (unknown origin)				Bioorg Med Chem Lett 28: 979-984 (2018) Article DOI: 10.1016/j.bmcl.2017.12.015 BindingDB Entry DOI: 10.7270/Q2XG9TQK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50392985 (CHEMBL2152385) Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@@H]2[C@H]3C[C@H]4C[C@@H]2C[C@](O)(C4)C3)c(=O)c2cccnc2n1-c1ccccc1 |r,TLB:26:23:20:16.17.18,THB:18:17:22:20.19.25,18:19:16.17.26:22,15:16:22:20.19.25,24:23:20:16.17.18| Show InChI InChI=1S/C34H33N3O5/c1-42-33(40)29-27(30(38)26-8-5-13-35-31(26)37(29)25-6-3-2-4-7-25)16-20-9-11-22(12-10-20)32(39)36-28-23-14-21-15-24(28)19-34(41,17-21)18-23/h2-13,21,23-24,28,41H,14-19H2,1H3,(H,36,39)/t21-,23-,24+,28+,34-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JNK1-mediated c-jun phosphorylation in TNF-alpha stimulated human HK-2 cells after 30 mins by TR-FRET assay				ACS Med Chem Lett 3: 764-768 (2012) Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50392986 (CHEMBL2152386) Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)NCC(C)(C)O)c(=O)c2cccnc2n1-c1ccccc1 Show InChI InChI=1S/C28H27N3O5/c1-28(2,35)17-30-26(33)19-13-11-18(12-14-19)16-22-23(27(34)36-3)31(20-8-5-4-6-9-20)25-21(24(22)32)10-7-15-29-25/h4-15,35H,16-17H2,1-3H3,(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JNK1-mediated c-jun phosphorylation in TNF-alpha stimulated human HK-2 cells after 30 mins by TR-FRET assay				ACS Med Chem Lett 3: 764-768 (2012) Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50392982 (CHEMBL2152382) Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)NCCO)c(=O)c2ccc(Cl)cc2n1-c1ccccc1 Show InChI InChI=1S/C27H23ClN2O5/c1-35-27(34)24-22(15-17-7-9-18(10-8-17)26(33)29-13-14-31)25(32)21-12-11-19(28)16-23(21)30(24)20-5-3-2-4-6-20/h2-12,16,31H,13-15H2,1H3,(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JNK1-mediated c-jun phosphorylation in TNF-alpha stimulated human HK-2 cells after 30 mins by TR-FRET assay				ACS Med Chem Lett 3: 764-768 (2012) Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50392987 (CHEMBL2152387) Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H]2CC[C@H](O)CC2)c(=O)c2cccnc2n1-c1ccccc1 |r,wU:16.16,wD:19.20,(13.6,-20.56,;12.27,-19.79,;12.27,-18.25,;13.61,-17.48,;10.94,-17.47,;10.94,-15.92,;12.28,-15.15,;12.27,-13.61,;13.61,-12.85,;13.61,-11.31,;12.28,-10.54,;10.94,-11.31,;10.95,-12.85,;12.28,-9,;13.61,-8.23,;10.94,-8.23,;10.94,-6.69,;9.61,-5.93,;9.61,-4.38,;10.95,-3.61,;10.95,-2.07,;12.28,-4.39,;12.28,-5.92,;9.59,-15.13,;9.59,-13.59,;8.25,-15.91,;6.92,-15.15,;5.59,-15.92,;5.59,-17.47,;6.92,-18.24,;8.25,-17.47,;9.59,-18.24,;9.59,-19.78,;8.25,-20.54,;8.24,-22.08,;9.58,-22.86,;10.92,-22.08,;10.91,-20.55,)| Show InChI InChI=1S/C30H29N3O5/c1-38-30(37)26-25(27(35)24-8-5-17-31-28(24)33(26)22-6-3-2-4-7-22)18-19-9-11-20(12-10-19)29(36)32-21-13-15-23(34)16-14-21/h2-12,17,21,23,34H,13-16,18H2,1H3,(H,32,36)/t21-,23-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JNK1-mediated c-jun phosphorylation in TNF-alpha stimulated human HK-2 cells after 30 mins by TR-FRET assay				ACS Med Chem Lett 3: 764-768 (2012) Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50392990 (CHEMBL2152390) Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H]2CC[C@H](O)CC2)c(=O)c2ccc(C)nc2n1-c1ccccc1 |r,wU:16.16,wD:19.20,(1.04,-20.36,;-.3,-19.58,;-.29,-18.04,;1.04,-17.28,;-1.62,-17.27,;-1.62,-15.72,;-.28,-14.95,;-.29,-13.41,;1.04,-12.64,;1.04,-11.1,;-.3,-10.34,;-1.63,-11.12,;-1.62,-12.65,;-.3,-8.8,;1.03,-8.02,;-1.64,-8.03,;-1.64,-6.49,;-2.98,-5.73,;-2.98,-4.19,;-1.65,-3.42,;-1.65,-1.88,;-.31,-4.19,;-.31,-5.72,;-2.97,-14.93,;-2.97,-13.39,;-4.31,-15.71,;-5.64,-14.95,;-6.97,-15.72,;-6.97,-17.26,;-8.31,-18.03,;-5.64,-18.03,;-4.31,-17.27,;-2.97,-18.04,;-2.97,-19.57,;-4.31,-20.34,;-4.32,-21.88,;-2.98,-22.65,;-1.64,-21.88,;-1.65,-20.34,)| Show InChI InChI=1S/C31H31N3O5/c1-19-8-17-25-28(36)26(27(31(38)39-2)34(29(25)32-19)23-6-4-3-5-7-23)18-20-9-11-21(12-10-20)30(37)33-22-13-15-24(35)16-14-22/h3-12,17,22,24,35H,13-16,18H2,1-2H3,(H,33,37)/t22-,24-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JNK1-mediated c-jun phosphorylation in TNF-alpha stimulated human HK-2 cells after 30 mins by TR-FRET assay				ACS Med Chem Lett 3: 764-768 (2012) Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50392989 (CHEMBL2152389) Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)NC2(CO)CC2)c(=O)c2cccnc2n1-c1ccccc1 Show InChI InChI=1S/C28H25N3O5/c1-36-27(35)23-22(16-18-9-11-19(12-10-18)26(34)30-28(17-32)13-14-28)24(33)21-8-5-15-29-25(21)31(23)20-6-3-2-4-7-20/h2-12,15,32H,13-14,16-17H2,1H3,(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JNK1-mediated c-jun phosphorylation in TNF-alpha stimulated human HK-2 cells after 30 mins by TR-FRET assay				ACS Med Chem Lett 3: 764-768 (2012) Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50392984 (CHEMBL2152384) Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H](CO)C(C)(C)C)c(=O)c2cccnc2n1-c1ccccc1 |r| Show InChI InChI=1S/C30H31N3O5/c1-30(2,3)24(18-34)32-28(36)20-14-12-19(13-15-20)17-23-25(29(37)38-4)33(21-9-6-5-7-10-21)27-22(26(23)35)11-8-16-31-27/h5-16,24,34H,17-18H2,1-4H3,(H,32,36)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JNK1-mediated c-jun phosphorylation in TNF-alpha stimulated human HK-2 cells after 30 mins by TR-FRET assay				ACS Med Chem Lett 3: 764-768 (2012) Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50392983 (CHEMBL2152383) Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H]2[C@H]3C[C@H]4C[C@@H]2C[C@](O)(C4)C3)c(=O)c2cccnc2n1-c1ccccc1 |r,TLB:26:23:20:16.17.18,THB:18:17:22:20.19.25,18:19:16.17.26:22,15:16:22:20.19.25,24:23:20:16.17.18| Show InChI InChI=1S/C34H33N3O5/c1-42-33(40)29-27(30(38)26-8-5-13-35-31(26)37(29)25-6-3-2-4-7-25)16-20-9-11-22(12-10-20)32(39)36-28-23-14-21-15-24(28)19-34(41,17-21)18-23/h2-13,21,23-24,28,41H,14-19H2,1H3,(H,36,39)/t21-,23-,24+,28-,34-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JNK1-mediated c-jun phosphorylation in TNF-alpha stimulated human HK-2 cells after 30 mins by TR-FRET assay				ACS Med Chem Lett 3: 764-768 (2012) Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50392992 (CHEMBL2152392) Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)N[C@H]2[C@H]3C[C@H]4C[C@@H]2C[C@](N)(C4)C3)c(=O)c2cccnc2n1-c1ccccc1 |r,TLB:26:23:20:16.17.18,THB:18:17:22:20.19.25,18:19:16.17.26:22,15:16:22:20.19.25,24:23:20:16.17.18| Show InChI InChI=1S/C34H34N4O4/c1-42-33(41)29-27(30(39)26-8-5-13-36-31(26)38(29)25-6-3-2-4-7-25)16-20-9-11-22(12-10-20)32(40)37-28-23-14-21-15-24(28)19-34(35,17-21)18-23/h2-13,21,23-24,28H,14-19,35H2,1H3,(H,37,40)/t21-,23-,24+,28-,34-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	2.19E+4	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JNK1-mediated c-jun phosphorylation in TNF-alpha stimulated human HK-2 cells after 30 mins by TR-FRET assay				ACS Med Chem Lett 3: 764-768 (2012) Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mitogen-activated protein kinase 8 (Homo sapiens (Human))	BDBM50392988 (CHEMBL2152388) Show SMILES COC(=O)c1c(Cc2ccc(cc2)C(=O)NC(C)(C)CO)c(=O)c2cccnc2n1-c1ccccc1 Show InChI InChI=1S/C28H27N3O5/c1-28(2,17-32)30-26(34)19-13-11-18(12-14-19)16-22-23(27(35)36-3)31(20-8-5-4-6-9-20)25-21(24(22)33)10-7-15-29-25/h4-15,32H,16-17H2,1-3H3,(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of JNK1-mediated c-jun phosphorylation in TNF-alpha stimulated human HK-2 cells after 30 mins by TR-FRET assay				ACS Med Chem Lett 3: 764-768 (2012) Article DOI: 10.1021/ml300175c BindingDB Entry DOI: 10.7270/Q22808P8
					More data for this Ligand-Target Pair