BDBM50108773 4,5-Dibromo-1H-pyrrole-2-carboxylic acid amide::4,5-dibromopyrrole-2-carbamide::4,5-dibromopyrrole-2-carboxamide::CHEMBL356164

SMILES: NC(=O)c1cc(Br)c(Br)[nH]1

InChI Key: InChIKey=VTWHNVAKXBNGFV-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 = 50108773   

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
Cystathionine beta-synthase (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 UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.56E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Utah Curated by ChEMBL					Assay Description Inhibition of full-length wild-type cystathionine beta-synthase (unknown origin) assessed as inhibition of H2S production by fluorescence assay in pr...				Bioorg Med Chem Lett 25: 1064-6 (2015) Article DOI: 10.1016/j.bmcl.2015.01.013 BindingDB Entry DOI: 10.7270/Q2MW2JT9
					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 UniProtKB/TrEMBL 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))	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 UniProtKB/TrEMBL 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