Compile Data Set for Download or QSAR

Found 50 hits Enz. Inhib. hit(s) with all data for entry = 50046881   

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
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134989 (CHEMBL3746640) Show SMILES NC(=O)c1c(Oc2cccc(CNS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C20H16F3IN4O4S/c21-13-7-11(24)4-5-15(13)28-19-17(20(25)29)16(8-14(22)18(19)23)32-12-3-1-2-10(6-12)9-27-33(26,30)31/h1-8,27-28H,9H2,(H2,25,29)(H2,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 in human HeLa-MaTu matched pair cells assessed as reduction in ERK phosphorylation				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134989 (CHEMBL3746640) Show SMILES NC(=O)c1c(Oc2cccc(CNS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C20H16F3IN4O4S/c21-13-7-11(24)4-5-15(13)28-19-17(20(25)29)16(8-14(22)18(19)23)32-12-3-1-2-10(6-12)9-27-33(26,30)31/h1-8,27-28H,9H2,(H2,25,29)(H2,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 in human HeLa-MaTu-ADR matched pair cells assessed as reduction in ERK phosphorylation				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134978 (CHEMBL3747294) Show SMILES CN(C)S(=O)(=O)Nc1cccc(Oc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C21H18F3IN4O4S/c1-29(2)34(31,32)28-12-4-3-5-13(9-12)33-17-10-15(23)19(24)20(18(17)21(26)30)27-16-7-6-11(25)8-14(16)22/h3-10,27-28H,1-2H3,(H2,26,30)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134968 (CHEMBL3746569) Show SMILES NCCS(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C21H19F2IN4O4S/c22-12-8-18(27-17-5-4-13(24)10-16(17)23)20(21(26)29)19(9-12)32-15-3-1-2-14(11-15)28-33(30,31)7-6-25/h1-5,8-11,27-28H,6-7,25H2,(H2,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134971 (CHEMBL3747066) Show SMILES CCS(=O)(=O)Nc1cccc(Oc2cc(F)c(F)c(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C21H17F3IN3O4S/c1-2-33(30,31)28-12-4-3-5-13(9-12)32-17-10-15(23)19(24)20(18(17)21(26)29)27-16-7-6-11(25)8-14(16)22/h3-10,27-28H,2H2,1H3,(H2,26,29)	PDB MMDB 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
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134976 (CHEMBL3746736) Show SMILES NC(=O)c1c(Oc2cccc(NS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C19H14F3IN4O4S/c20-12-6-9(23)4-5-14(12)26-18-16(19(24)28)15(8-13(21)17(18)22)31-11-3-1-2-10(7-11)27-32(25,29)30/h1-8,26-27H,(H2,24,28)(H2,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM104963 (CHEMBL507361 | US11147816, PD0325901 | US11701360,...) Show SMILES OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F |r| Show InChI InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134986 (CHEMBL3746559) Show SMILES NC(=O)c1c(Oc2ccc(F)c(NS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C19H13F4IN4O4S/c20-10-3-2-9(6-14(10)28-33(26,30)31)32-15-7-12(22)17(23)18(16(15)19(25)29)27-13-4-1-8(24)5-11(13)21/h1-7,27-28H,(H2,25,29)(H2,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50135016 (CHEMBL3747047) Show SMILES Cc1c(NS(N)(=O)=O)cccc1Oc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1C(N)=O Show InChI InChI=1S/C20H16F3IN4O4S/c1-9-13(28-33(26,30)31)3-2-4-15(9)32-16-8-12(22)18(23)19(17(16)20(25)29)27-14-6-5-10(24)7-11(14)21/h2-8,27-28H,1H3,(H2,25,29)(H2,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134925 (CHEMBL2376666) Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(NS(N)(=O)=O)c1 Show InChI InChI=1S/C19H15F2IN4O4S/c20-10-6-16(25-15-5-4-11(22)8-14(15)21)18(19(23)27)17(7-10)30-13-3-1-2-12(9-13)26-31(24,28)29/h1-9,25-26H,(H2,23,27)(H2,24,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50355497 (AZD-6244 | CHEMBL1614701) Show SMILES Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO Show InChI InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 in human HeLa-MaTu matched pair cells assessed as reduction in ERK phosphorylation				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134973 (CHEMBL3746467) Show SMILES CCS(=O)(=O)Nc1cccc(Oc2c(F)c(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C21H17F3IN3O4S/c1-2-33(30,31)28-12-4-3-5-13(9-12)32-20-18(21(26)29)17(10-15(23)19(20)24)27-16-7-6-11(25)8-14(16)22/h3-10,27-28H,2H2,1H3,(H2,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134927 (CHEMBL3747136) Show SMILES CCNS(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C21H19F2IN4O4S/c1-2-26-33(30,31)28-14-4-3-5-15(11-14)32-19-9-12(22)8-18(20(19)21(25)29)27-17-7-6-13(24)10-16(17)23/h3-11,26-28H,2H2,1H3,(H2,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134938 (CHEMBL3747256) Show SMILES Cc1c(NS(N)(=O)=O)cccc1Oc1cc(F)cc(Nc2ccc(I)cc2F)c1C(N)=O Show InChI InChI=1S/C20H17F2IN4O4S/c1-10-14(27-32(25,29)30)3-2-4-17(10)31-18-8-11(21)7-16(19(18)20(24)28)26-15-6-5-12(23)9-13(15)22/h2-9,26-27H,1H3,(H2,24,28)(H2,25,29,30)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134939 (CHEMBL3747359) Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(NS(N)(=O)=O)c1Cl Show InChI InChI=1S/C19H14ClF2IN4O4S/c20-18-13(27-32(25,29)30)2-1-3-15(18)31-16-7-9(21)6-14(17(16)19(24)28)26-12-5-4-10(23)8-11(12)22/h1-8,26-27H,(H2,24,28)(H2,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134926 (CHEMBL2376663) Show SMILES CN(C)S(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C21H19F2IN4O4S/c1-28(2)33(30,31)27-14-4-3-5-15(11-14)32-19-9-12(22)8-18(20(19)21(25)29)26-17-7-6-13(24)10-16(17)23/h3-11,26-27H,1-2H3,(H2,25,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134989 (CHEMBL3746640) Show SMILES NC(=O)c1c(Oc2cccc(CNS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C20H16F3IN4O4S/c21-13-7-11(24)4-5-15(13)28-19-17(20(25)29)16(8-14(22)18(19)23)32-12-3-1-2-10(6-12)9-27-33(26,30)31/h1-8,27-28H,9H2,(H2,25,29)(H2,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134996 (CHEMBL3746031) Show SMILES NC(=O)c1c(Oc2cccc(CS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C20H15F3IN3O4S/c21-13-7-11(24)4-5-15(13)27-19-17(20(25)28)16(8-14(22)18(19)23)31-12-3-1-2-10(6-12)9-32(26,29)30/h1-8,27H,9H2,(H2,25,28)(H2,26,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50135003 (CHEMBL3746103) Show SMILES NC(=O)c1c(Oc2ccc(F)c(NS(N)(=O)=O)c2F)cc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C19H12F5IN4O4S/c20-8-2-4-12(16(24)17(8)29-34(27,31)32)33-13-6-10(22)15(23)18(14(13)19(26)30)28-11-3-1-7(25)5-9(11)21/h1-6,28-29H,(H2,26,30)(H2,27,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50355497 (AZD-6244 | CHEMBL1614701) Show SMILES Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO Show InChI InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134965 (CHEMBL2376667) Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(CS(N)(=O)=O)c1 Show InChI InChI=1S/C20H16F2IN3O4S/c21-12-7-17(26-16-5-4-13(23)9-15(16)22)19(20(24)27)18(8-12)30-14-3-1-2-11(6-14)10-31(25,28)29/h1-9,26H,10H2,(H2,24,27)(H2,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134940 (CHEMBL3746537) Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(NS(N)(=O)=O)c1Br Show InChI InChI=1S/C19H14BrF2IN4O4S/c20-18-13(27-32(25,29)30)2-1-3-15(18)31-16-7-9(21)6-14(17(16)19(24)28)26-12-5-4-10(23)8-11(12)22/h1-8,26-27H,(H2,24,28)(H2,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134969 (CHEMBL3746923) Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(CNS(N)(=O)=O)c1 Show InChI InChI=1S/C20H17F2IN4O4S/c21-12-7-17(27-16-5-4-13(23)9-15(16)22)19(20(24)28)18(8-12)31-14-3-1-2-11(6-14)10-26-32(25,29)30/h1-9,26-27H,10H2,(H2,24,28)(H2,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134961 (CHEMBL3746142) Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccccc1NS(N)(=O)=O Show InChI InChI=1S/C19H15F2IN4O4S/c20-10-7-15(25-13-6-5-11(22)9-12(13)21)18(19(23)27)17(8-10)30-16-4-2-1-3-14(16)26-31(24,28)29/h1-9,25-26H,(H2,23,27)(H2,24,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134970 (CHEMBL3747516) Show SMILES CC(NS(N)(=O)=O)c1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C21H19F2IN4O4S/c1-11(28-33(26,30)31)12-3-2-4-15(7-12)32-19-9-13(22)8-18(20(19)21(25)29)27-17-6-5-14(24)10-16(17)23/h2-11,27-28H,1H3,(H2,25,29)(H2,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134928 (CHEMBL3747368) Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccc(F)c(NS(N)(=O)=O)c1 Show InChI InChI=1S/C19H14F3IN4O4S/c20-9-5-16(26-14-4-1-10(23)7-13(14)22)18(19(24)28)17(6-9)31-11-2-3-12(21)15(8-11)27-32(25,29)30/h1-8,26-27H,(H2,24,28)(H2,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134962 (CHEMBL3746158) Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(F)c1NS(N)(=O)=O Show InChI InChI=1S/C19H14F3IN4O4S/c20-9-6-14(26-13-5-4-10(23)8-12(13)22)17(19(24)28)16(7-9)31-15-3-1-2-11(21)18(15)27-32(25,29)30/h1-8,26-27H,(H2,24,28)(H2,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134929 (CHEMBL3746516) Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccc(F)c(NS(N)(=O)=O)c1F Show InChI InChI=1S/C19H13F4IN4O4S/c20-8-5-13(27-12-3-1-9(24)7-11(12)22)16(19(25)29)15(6-8)32-14-4-2-10(21)18(17(14)23)28-33(26,30)31/h1-7,27-28H,(H2,25,29)(H2,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134937 (CHEMBL3746203) Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccc2OCCN(c2c1)S(N)(=O)=O Show InChI InChI=1S/C21H17F2IN4O5S/c22-11-7-16(27-15-3-1-12(24)9-14(15)23)20(21(25)29)19(8-11)33-13-2-4-18-17(10-13)28(5-6-32-18)34(26,30)31/h1-4,7-10,27H,5-6H2,(H2,25,29)(H2,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	127	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134930 (CHEMBL3747610) Show SMILES Cc1ccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)cc1NS(N)(=O)=O Show InChI InChI=1S/C20H17F2IN4O4S/c1-10-2-4-13(9-16(10)27-32(25,29)30)31-18-7-11(21)6-17(19(18)20(24)28)26-15-5-3-12(23)8-14(15)22/h2-9,26-27H,1H3,(H2,24,28)(H2,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	262	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134932 (CHEMBL3745994) Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccc(Cl)c(NS(N)(=O)=O)c1 Show InChI InChI=1S/C19H14ClF2IN4O4S/c20-12-3-2-11(8-15(12)27-32(25,29)30)31-17-6-9(21)5-16(18(17)19(24)28)26-14-4-1-10(23)7-13(14)22/h1-8,26-27H,(H2,24,28)(H2,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	345	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134964 (CHEMBL3747708) Show SMILES Cc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1NS(N)(=O)=O Show InChI InChI=1S/C20H17F2IN4O4S/c1-10-3-2-4-16(19(10)27-32(25,29)30)31-17-8-11(21)7-15(18(17)20(24)28)26-14-6-5-12(23)9-13(14)22/h2-9,26-27H,1H3,(H2,24,28)(H2,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	379	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50134961 (CHEMBL3746142) Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccccc1NS(N)(=O)=O Show InChI InChI=1S/C19H15F2IN4O4S/c20-10-7-15(25-13-6-5-11(22)9-12(13)21)18(19(23)27)17(8-10)30-16-4-2-1-3-14(16)26-31(24,28)29/h1-9,25-26H,(H2,23,27)(H2,24,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50134925 (CHEMBL2376666) Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(NS(N)(=O)=O)c1 Show InChI InChI=1S/C19H15F2IN4O4S/c20-10-6-16(25-15-5-4-11(22)8-14(15)21)18(19(23)27)17(7-10)30-13-3-1-2-12(9-13)26-31(24,28)29/h1-9,25-26H,(H2,23,27)(H2,24,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134933 (CHEMBL3747637) Show SMILES COc1ccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)cc1NS(N)(=O)=O Show InChI InChI=1S/C20H17F2IN4O5S/c1-31-17-5-3-12(9-15(17)27-33(25,29)30)32-18-7-10(21)6-16(19(18)20(24)28)26-14-4-2-11(23)8-13(14)22/h2-9,26-27H,1H3,(H2,24,28)(H2,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	592	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50134939 (CHEMBL3747359) Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(NS(N)(=O)=O)c1Cl Show InChI InChI=1S/C19H14ClF2IN4O4S/c20-18-13(27-32(25,29)30)2-1-3-15(18)31-16-7-9(21)6-14(17(16)19(24)28)26-12-5-4-10(23)8-11(12)22/h1-8,26-27H,(H2,24,28)(H2,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50134938 (CHEMBL3747256) Show SMILES Cc1c(NS(N)(=O)=O)cccc1Oc1cc(F)cc(Nc2ccc(I)cc2F)c1C(N)=O Show InChI InChI=1S/C20H17F2IN4O4S/c1-10-14(27-32(25,29)30)3-2-4-17(10)31-18-8-11(21)7-16(19(18)20(24)28)26-15-6-5-12(23)9-13(15)22/h2-9,26-27H,1H3,(H2,24,28)(H2,25,29,30)	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	700	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134941 (CHEMBL3747496) Show SMILES Cc1ccc(NS(N)(=O)=O)cc1Oc1cc(F)cc(Nc2ccc(I)cc2F)c1C(N)=O Show InChI InChI=1S/C20H17F2IN4O4S/c1-10-2-4-13(27-32(25,29)30)9-17(10)31-18-7-11(21)6-16(19(18)20(24)28)26-15-5-3-12(23)8-14(15)22/h2-9,26-27H,1H3,(H2,24,28)(H2,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	899	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134960 (CHEMBL3746690) Show SMILES COc1cc(NS(N)(=O)=O)cc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C20H17F2IN4O5S/c1-31-13-7-12(27-33(25,29)30)8-14(9-13)32-18-5-10(21)4-17(19(18)20(24)28)26-16-3-2-11(23)6-15(16)22/h2-9,26-27H,1H3,(H2,24,28)(H2,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	941	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50134965 (CHEMBL2376667) Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(CS(N)(=O)=O)c1 Show InChI InChI=1S/C20H16F2IN3O4S/c21-12-7-17(26-16-5-4-13(23)9-15(16)22)19(20(24)27)18(8-12)30-14-3-1-2-11(6-14)10-31(25,28)29/h1-9,26H,10H2,(H2,24,27)(H2,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50134935 (CHEMBL3746213) Show SMILES CCOc1ccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)cc1NS(N)(=O)=O Show InChI InChI=1S/C21H19F2IN4O5S/c1-2-32-18-6-4-13(10-16(18)28-34(26,30)31)33-19-8-11(22)7-17(20(19)21(25)29)27-15-5-3-12(24)9-14(15)23/h3-10,27-28H,2H2,1H3,(H2,25,29)(H2,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 (unknown origin) using biotinylated ERK1 as substrate incubated for 2 hrs by fluorescence analysis				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50134996 (CHEMBL3746031) Show SMILES NC(=O)c1c(Oc2cccc(CS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C20H15F3IN3O4S/c21-13-7-11(24)4-5-15(13)27-19-17(20(25)28)16(8-14(22)18(19)23)31-12-3-1-2-10(6-12)9-32(26,29)30/h1-8,27H,9H2,(H2,25,28)(H2,26,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50134969 (CHEMBL3746923) Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(CNS(N)(=O)=O)c1 Show InChI InChI=1S/C20H17F2IN4O4S/c21-12-7-17(27-16-5-4-13(23)9-15(16)22)19(20(24)28)18(8-12)31-14-3-1-2-11(6-14)10-26-32(25,29)30/h1-9,26-27H,10H2,(H2,24,28)(H2,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50355497 (AZD-6244 | CHEMBL1614701) Show SMILES Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO Show InChI InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of MEK1 in human HeLa-MaTu-ADR matched pair cells assessed as reduction in ERK phosphorylation				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50134928 (CHEMBL3747368) Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccc(F)c(NS(N)(=O)=O)c1 Show InChI InChI=1S/C19H14F3IN4O4S/c20-9-5-16(26-14-4-1-10(23)7-13(14)22)18(19(24)28)17(6-9)31-11-2-3-12(21)15(8-11)27-32(25,29)30/h1-8,26-27H,(H2,24,28)(H2,25,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50134986 (CHEMBL3746559) Show SMILES NC(=O)c1c(Oc2ccc(F)c(NS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C19H13F4IN4O4S/c20-10-3-2-9(6-14(10)28-33(26,30)31)32-15-7-12(22)17(23)18(16(15)19(25)29)27-13-4-1-8(24)5-11(13)21/h1-7,27-28H,(H2,25,29)(H2,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM50134925 (CHEMBL2376666) Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(NS(N)(=O)=O)c1 Show InChI InChI=1S/C19H15F2IN4O4S/c20-10-6-16(25-15-5-4-11(22)8-14(15)21)18(19(23)27)17(7-10)30-13-3-1-2-12(9-13)26-31(24,28)29/h1-9,25-26H,(H2,23,27)(H2,24,28,29)	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	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 1				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50134989 (CHEMBL3746640) Show SMILES NC(=O)c1c(Oc2cccc(CNS(N)(=O)=O)c2)cc(F)c(F)c1Nc1ccc(I)cc1F Show InChI InChI=1S/C20H16F3IN4O4S/c21-13-7-11(24)4-5-15(13)28-19-17(20(25)29)16(8-14(22)18(19)23)32-12-3-1-2-10(6-12)9-27-33(26,30)31/h1-8,27-28H,9H2,(H2,25,29)(H2,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50134968 (CHEMBL3746569) Show SMILES NCCS(=O)(=O)Nc1cccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)c1 Show InChI InChI=1S/C21H19F2IN4O4S/c22-12-8-18(27-17-5-4-13(24)10-16(17)23)20(21(26)29)19(9-12)32-15-3-1-2-14(11-15)28-33(30,31)7-6-25/h1-5,8-11,27-28H,6-7,25H2,(H2,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50134929 (CHEMBL3746516) Show SMILES NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1ccc(F)c(NS(N)(=O)=O)c1F Show InChI InChI=1S/C19H13F4IN4O4S/c20-8-5-13(27-12-3-1-9(24)7-11(12)22)16(19(25)29)15(6-8)32-14-4-2-10(21)18(17(14)23)28-33(26,30)31/h1-7,27-28H,(H2,25,29)(H2,26,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare AG Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2				Bioorg Med Chem Lett 26: 186-93 (2015) Article DOI: 10.1016/j.bmcl.2015.11.004 BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair