BDBM50134965 CHEMBL2376667

SMILES: NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1Oc1cccc(CS(N)(=O)=O)c1

InChI Key: InChIKey=SAWIAPXBORSMPV-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50134965   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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) BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase (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 UniProtKB/TrEMBL 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) after 2 hrs by fluorescence assay				Bioorg Med Chem Lett 23: 2384-90 (2013) Article DOI: 10.1016/j.bmcl.2013.02.028 BindingDB Entry DOI: 10.7270/Q2Z89GBR
					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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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) BindingDB Entry DOI: 10.7270/Q26M38NN
					More data for this Ligand-Target Pair