Compile Data Set for Download or QSAR

Found 28 hits with Last Name = 'mangalindan' and Initial = 'gc'   

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 1 (Homo sapiens (Human))	BDBM50059889 ((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...) Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1				J Med Chem 45: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9XCD
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50059889 ((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...) Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of MEK1 phosphorylation by activated human recombinant Raf				J Med Chem 45: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9XCD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50108776 (4-(2-Amino-5-oxo-3,5-dihydro-imidazol-4-ylidene)-2...) Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:3.3,t:1| Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1				J Med Chem 45: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9XCD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM7491 ((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...) Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:7.19,t:1| Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1				J Med Chem 45: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9XCD
					More data for this Ligand-Target Pair
Protein kinase C zeta type (Homo sapiens (Human))	BDBM50252375 (CHEMBL446072 | Spheciosterol sulfate C) Show SMILES C[C@H](CCC(C)C(C)(C)C(C)=C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](OS([O-])(=O)=O)[C@H]4[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)C3=CC[C@]12C)OS([O-])(=O)=O |r,c:40| Show InChI InChI=1S/C32H54O13S3/c1-18(2)29(5,6)20(4)11-10-19(3)21-12-14-32(9)23-16-24(43-46(34,35)36)26-27(33)28(45-48(40,41)42)25(44-47(37,38)39)17-30(26,7)22(23)13-15-31(21,32)8/h13,19-21,23-28,33H,1,10-12,14-17H2,2-9H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)/p-3/t19-,20?,21-,23-,24+,25+,26+,27-,28-,30-,31-,32+/m1/s1	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	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of PKCzeta (unknown origin) by TR-FRET based lanthascreen assay				J Nat Prod 71: 1213-7 (2008) Article DOI: 10.1021/np8001628 BindingDB Entry DOI: 10.7270/Q25H7G17
					More data for this Ligand-Target Pair
Protein kinase C zeta type (Homo sapiens (Human))	BDBM50252374 (CHEMBL475118 | Spheciosterol sulfate B) Show SMILES CC(C)C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](OS([O-])(=O)=O)[C@H]4[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)C3=CC[C@]12C)OS([O-])(=O)=O)C(C)=C |r,c:36| Show InChI InChI=1S/C31H52O13S3/c1-17(2)20(18(3)4)10-9-19(5)21-11-13-31(8)23-15-24(42-45(33,34)35)26-27(32)28(44-47(39,40)41)25(43-46(36,37)38)16-29(26,6)22(23)12-14-30(21,31)7/h12,18-21,23-28,32H,1,9-11,13-16H2,2-8H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)/p-3/t19-,20?,21-,23-,24+,25+,26+,27-,28-,29-,30-,31+/m1/s1	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	530	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of PKCzeta (unknown origin) by TR-FRET based lanthascreen assay				J Nat Prod 71: 1213-7 (2008) Article DOI: 10.1021/np8001628 BindingDB Entry DOI: 10.7270/Q25H7G17
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50108774 (2-Bromo-6,7-dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,...) Show SMILES Brc1cc2c([nH]1)C(=O)NCCC2=O Show InChI InChI=1S/C8H7BrN2O2/c9-6-3-4-5(12)1-2-10-8(13)7(4)11-6/h3,11H,1-2H2,(H,10,13)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	539	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1				J Med Chem 45: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9XCD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50363645 (DEBROMOHYMENIALDISINE) Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	824	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1				J Med Chem 45: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9XCD
					More data for this Ligand-Target Pair
Protein kinase C zeta type (Homo sapiens (Human))	BDBM50252376 (CHEMBL455091 | Topsentiasterol sulfate E) Show SMILES CC(C)C1(CC[C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4C[C@H](OS([O-])(=O)=O)[C@H]5[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](C[C@]5(C)C4=CC[C@]23C)OS([O-])(=O)=O)CC1C |r,c:36| Show InChI InChI=1S/C31H52O13S3/c1-17(2)31(15-19(31)4)13-8-18(3)20-9-11-30(7)22-14-23(42-45(33,34)35)25-26(32)27(44-47(39,40)41)24(43-46(36,37)38)16-28(25,5)21(22)10-12-29(20,30)6/h10,17-20,22-27,32H,8-9,11-16H2,1-7H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)/p-3/t18-,19?,20-,22-,23+,24+,25+,26-,27-,28-,29-,30+,31?/m1/s1	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	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of PKCzeta (unknown origin) by TR-FRET based lanthascreen assay				J Nat Prod 71: 1213-7 (2008) Article DOI: 10.1021/np8001628 BindingDB Entry DOI: 10.7270/Q25H7G17
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM59117 (CHEMBL151430 | Hymenialdisine, 11b) Show SMILES Nc1ncc([nH]1)C1CCNC(=O)c2[nH]c(Br)c(Br)c12 Show InChI InChI=1S/C11H11Br2N5O/c12-7-6-4(5-3-16-11(14)17-5)1-2-15-10(19)8(6)18-9(7)13/h3-4,18H,1-2H2,(H,15,19)(H3,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1				J Med Chem 45: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9XCD
					More data for this Ligand-Target Pair
Protein kinase C zeta type (Homo sapiens (Human))	BDBM50252373 (CHEMBL447723 | Spheciosterol sulfate A) Show SMILES CCC(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](OS([O-])(=O)=O)[C@H]4[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)C3=CC[C@]12C)OS([O-])(=O)=O)C(C)=C |r,c:35| Show InChI InChI=1S/C30H50O13S3/c1-8-19(17(2)3)10-9-18(4)20-11-13-30(7)22-15-23(41-44(32,33)34)25-26(31)27(43-46(38,39)40)24(42-45(35,36)37)16-28(25,5)21(22)12-14-29(20,30)6/h12,18-20,22-27,31H,2,8-11,13-16H2,1,3-7H3,(H,32,33,34)(H,35,36,37)(H,38,39,40)/p-3/t18-,19?,20-,22-,23+,24+,25+,26-,27-,28-,29-,30+/m1/s1	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	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of PKCzeta (unknown origin) by TR-FRET based lanthascreen assay				J Nat Prod 71: 1213-7 (2008) Article DOI: 10.1021/np8001628 BindingDB Entry DOI: 10.7270/Q25H7G17
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50220547 (4,5-Dibromo-1H-pyrrole-2-carboxylic acid [3-(2-ami...) Show SMILES Nc1ncc(C=CCNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1 |w:6.6| Show InChI InChI=1S/C11H11Br2N5O/c12-7-4-8(18-9(7)13)10(19)15-3-1-2-6-5-16-11(14)17-6/h1-2,4-5,18H,3H2,(H,15,19)(H3,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of MEK1 phosphorylation by activated human recombinant Raf				J Med Chem 45: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9XCD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50220547 (4,5-Dibromo-1H-pyrrole-2-carboxylic acid [3-(2-ami...) Show SMILES Nc1ncc(C=CCNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1 |w:6.6| Show InChI InChI=1S/C11H11Br2N5O/c12-7-4-8(18-9(7)13)10(19)15-3-1-2-6-5-16-11(14)17-6/h1-2,4-5,18H,3H2,(H,15,19)(H3,14,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1				J Med Chem 45: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9XCD
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50363645 (DEBROMOHYMENIALDISINE) Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]ccc12 |w:7.8,t:1| Show InChI InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of MEK1 phosphorylation by activated human recombinant Raf				J Med Chem 45: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9XCD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50108777 (6,7-Dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,8-dione ...) Show SMILES O=C1CCNC(=O)c2[nH]ccc12 Show InChI InChI=1S/C8H8N2O2/c11-6-2-4-10-8(12)7-5(6)1-3-9-7/h1,3,9H,2,4H2,(H,10,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1				J Med Chem 45: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9XCD
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM7491 ((4Z)-4-(2-amino-5-oxo-3,5-dihydro-4H-imidazol-4-yl...) Show SMILES NC1=NC(=O)C(N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:7.19,t:1| Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of MEK1 phosphorylation by activated human recombinant Raf				J Med Chem 45: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9XCD
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50108777 (6,7-Dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,8-dione ...) Show SMILES O=C1CCNC(=O)c2[nH]ccc12 Show InChI InChI=1S/C8H8N2O2/c11-6-2-4-10-8(12)7-5(6)1-3-9-7/h1,3,9H,2,4H2,(H,10,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of MEK1 phosphorylation by activated human recombinant Raf				J Med Chem 45: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9XCD
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM59117 (CHEMBL151430 | Hymenialdisine, 11b) Show SMILES Nc1ncc([nH]1)C1CCNC(=O)c2[nH]c(Br)c(Br)c12 Show InChI InChI=1S/C11H11Br2N5O/c12-7-6-4(5-3-16-11(14)17-5)1-2-15-10(19)8(6)18-9(7)13/h3-4,18H,1-2H2,(H,15,19)(H3,14,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of MEK1 phosphorylation by activated human recombinant Raf				J Med Chem 45: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9XCD
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50108774 (2-Bromo-6,7-dihydro-1H,5H-pyrrolo[2,3-c]azepine-4,...) Show SMILES Brc1cc2c([nH]1)C(=O)NCCC2=O Show InChI InChI=1S/C8H7BrN2O2/c9-6-3-4-5(12)1-2-10-8(13)7(4)11-6/h3,11H,1-2H2,(H,10,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of MEK1 phosphorylation by activated human recombinant Raf				J Med Chem 45: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9XCD
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50108773 (4,5-Dibromo-1H-pyrrole-2-carboxylic acid amide | 4...) Show SMILES NC(=O)c1cc(Br)c(Br)[nH]1 Show InChI InChI=1S/C5H4Br2N2O/c6-2-1-3(5(8)10)9-4(2)7/h1,9H,(H2,8,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of MEK1 phosphorylation by activated human recombinant Raf				J Med Chem 45: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9XCD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50108773 (4,5-Dibromo-1H-pyrrole-2-carboxylic acid amide | 4...) Show SMILES NC(=O)c1cc(Br)c(Br)[nH]1 Show InChI InChI=1S/C5H4Br2N2O/c6-2-1-3(5(8)10)9-4(2)7/h1,9H,(H2,8,10)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1				J Med Chem 45: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9XCD
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50108776 (4-(2-Amino-5-oxo-3,5-dihydro-imidazol-4-ylidene)-2...) Show SMILES NC1=NC(C(=O)N1)=C1CCNC(=O)c2[nH]c(Br)cc12 |w:3.3,t:1| Show InChI InChI=1S/C11H10BrN5O2/c12-6-3-5-4(7-10(19)17-11(13)16-7)1-2-14-9(18)8(5)15-6/h3,15H,1-2H2,(H,14,18)(H3,13,16,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of MEK1 phosphorylation by activated human recombinant Raf				J Med Chem 45: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9XCD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50108771 (2'-amino-3'-methoxyflavone | 2-(2-Amino-3-methoxy-...) Show SMILES COc1cccc(c1N)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of Mitogen-activated protein kinase (MAPK)phosphorylation by activated MEK-1				J Med Chem 45: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9XCD
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50108771 (2'-amino-3'-methoxyflavone | 2-(2-Amino-3-methoxy-...) Show SMILES COc1cccc(c1N)-c1cc(=O)c2ccccc2o1 Show InChI InChI=1S/C16H13NO3/c1-19-14-8-4-6-11(16(14)17)15-9-12(18)10-5-2-3-7-13(10)20-15/h2-9H,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of MEK1 phosphorylation by activated human recombinant Raf				J Med Chem 45: 529-32 (2002) BindingDB Entry DOI: 10.7270/Q2FQ9XCD
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM50252373 (CHEMBL447723 | Spheciosterol sulfate A) Show SMILES CCC(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](OS([O-])(=O)=O)[C@H]4[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)C3=CC[C@]12C)OS([O-])(=O)=O)C(C)=C |r,c:35| Show InChI InChI=1S/C30H50O13S3/c1-8-19(17(2)3)10-9-18(4)20-11-13-30(7)22-15-23(41-44(32,33)34)25-26(31)27(43-46(38,39)40)24(42-45(35,36)37)16-28(25,5)21(22)12-14-29(20,30)6/h12,18-20,22-27,31H,2,8-11,13-16H2,1,3-7H3,(H,32,33,34)(H,35,36,37)(H,38,39,40)/p-3/t18-,19?,20-,22-,23+,24+,25+,26-,27-,28-,29-,30+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of IL1-induced NFkappaB P65 activation in human osteoarthritic primary chondrocytes preincubated 2 hrs before addition of IL1 by ELISA				J Nat Prod 71: 1213-7 (2008) Article DOI: 10.1021/np8001628 BindingDB Entry DOI: 10.7270/Q25H7G17
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM50252376 (CHEMBL455091 | Topsentiasterol sulfate E) Show SMILES CC(C)C1(CC[C@@H](C)[C@H]2CC[C@@]3(C)[C@@H]4C[C@H](OS([O-])(=O)=O)[C@H]5[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](C[C@]5(C)C4=CC[C@]23C)OS([O-])(=O)=O)CC1C |r,c:36| Show InChI InChI=1S/C31H52O13S3/c1-17(2)31(15-19(31)4)13-8-18(3)20-9-11-30(7)22-14-23(42-45(33,34)35)25-26(32)27(44-47(39,40)41)24(43-46(36,37)38)16-28(25,5)21(22)10-12-29(20,30)6/h10,17-20,22-27,32H,8-9,11-16H2,1-7H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)/p-3/t18-,19?,20-,22-,23+,24+,25+,26-,27-,28-,29-,30+,31?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of IL1-induced NFkappaB P65 activation in human osteoarthritic primary chondrocytes preincubated 2 hrs before addition of IL1 by ELISA				J Nat Prod 71: 1213-7 (2008) Article DOI: 10.1021/np8001628 BindingDB Entry DOI: 10.7270/Q25H7G17
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM50252375 (CHEMBL446072 | Spheciosterol sulfate C) Show SMILES C[C@H](CCC(C)C(C)(C)C(C)=C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](OS([O-])(=O)=O)[C@H]4[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)C3=CC[C@]12C)OS([O-])(=O)=O |r,c:40| Show InChI InChI=1S/C32H54O13S3/c1-18(2)29(5,6)20(4)11-10-19(3)21-12-14-32(9)23-16-24(43-46(34,35)36)26-27(33)28(45-48(40,41)42)25(44-47(37,38)39)17-30(26,7)22(23)13-15-31(21,32)8/h13,19-21,23-28,33H,1,10-12,14-17H2,2-9H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)/p-3/t19-,20?,21-,23-,24+,25+,26+,27-,28-,30-,31-,32+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of IL1-induced NFkappaB P65 activation in human osteoarthritic primary chondrocytes preincubated 2 hrs before addition of IL1 by ELISA				J Nat Prod 71: 1213-7 (2008) Article DOI: 10.1021/np8001628 BindingDB Entry DOI: 10.7270/Q25H7G17
					More data for this Ligand-Target Pair
Transcription factor p65 (Homo sapiens (Human))	BDBM50252374 (CHEMBL475118 | Spheciosterol sulfate B) Show SMILES CC(C)C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3C[C@H](OS([O-])(=O)=O)[C@H]4[C@@H](O)[C@H](OS([O-])(=O)=O)[C@H](C[C@]4(C)C3=CC[C@]12C)OS([O-])(=O)=O)C(C)=C |r,c:36| Show InChI InChI=1S/C31H52O13S3/c1-17(2)20(18(3)4)10-9-19(5)21-11-13-31(8)23-15-24(42-45(33,34)35)26-27(32)28(44-47(39,40)41)25(43-46(36,37)38)16-29(26,6)22(23)12-14-30(21,31)7/h12,18-21,23-28,32H,1,9-11,13-16H2,2-8H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)/p-3/t19-,20?,21-,23-,24+,25+,26+,27-,28-,29-,30-,31+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of IL1-induced NFkappaB P65 activation in human osteoarthritic primary chondrocytes preincubated 2 hrs before addition of IL1 by ELISA				J Nat Prod 71: 1213-7 (2008) Article DOI: 10.1021/np8001628 BindingDB Entry DOI: 10.7270/Q25H7G17
					More data for this Ligand-Target Pair