BDBM50220547 4,5-Dibromo-1H-pyrrole-2-carboxylic acid [3-(2-amino-1H-imidazol-4-yl)-allyl]-amide::4,5-Dibromo-1H-pyrrole-2-carboxylic acid [3-(2-amino-3H-imidazol-4-yl)-allyl]-amide::CHEMBL397591::oroidin::oroidin base

SMILES: Nc1ncc(C=CCNC(=O)c2cc(Br)c(Br)[nH]2)[nH]1

InChI Key: InChIKey=QKJAXHBFQSBDAR-UHFFFAOYSA-N

Data: 2 KI  11 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 13 hits for monomerid = 50220547   

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
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	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 UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of London Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FabI in presence of variable crotonyl-coA level				Bioorg Med Chem 15: 6834-45 (2007) Article DOI: 10.1016/j.bmc.2007.07.032 BindingDB Entry DOI: 10.7270/Q2VQ32DZ
					More data for this Ligand-Target Pair
Enoyl-acyl-carrier protein reductase (Plasmodium falciparum)	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 UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of London Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum FabI in presence of variable NADH levels				Bioorg Med Chem 15: 6834-45 (2007) Article DOI: 10.1016/j.bmc.2007.07.032 BindingDB Entry DOI: 10.7270/Q2VQ32DZ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3 (Rattus norvegicus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of rat Kv1.3 expressed in Xenopus laevis oocytes at -90 mV holding potential by two-electrode voltage clamp assay				Eur J Med Chem 139: 232-241 (2017) Article DOI: 10.1016/j.ejmech.2017.08.015 BindingDB Entry DOI: 10.7270/Q2668GT4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5 (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 UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human Kv1.5 expressed in CHO cells at -80 mV holding potential by whole cell automated patch clamp method				Eur J Med Chem 139: 232-241 (2017) Article DOI: 10.1016/j.ejmech.2017.08.015 BindingDB Entry DOI: 10.7270/Q2668GT4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 4 (Rattus norvegicus)	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 UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of rat Kv1.4 expressed in Xenopus laevis oocytes at -90 mV holding potential by two-electrode voltage clamp assay				Eur J Med Chem 139: 232-241 (2017) Article DOI: 10.1016/j.ejmech.2017.08.015 BindingDB Entry DOI: 10.7270/Q2668GT4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3 (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	Article PubMed	n/a	n/a	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human Kv1.3 expressed in CHO cells at -80 mV holding potential by whole cell automated patch clamp method				Eur J Med Chem 139: 232-241 (2017) Article DOI: 10.1016/j.ejmech.2017.08.015 BindingDB Entry DOI: 10.7270/Q2668GT4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 4 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human Kv1.4 expressed in CHO cells at -80 mV holding potential by whole cell automated patch clamp method				Eur J Med Chem 139: 232-241 (2017) Article DOI: 10.1016/j.ejmech.2017.08.015 BindingDB Entry DOI: 10.7270/Q2668GT4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 6 (Rattus norvegicus)	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)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of rat Kv1.6 expressed in Xenopus laevis oocytes at -90 mV holding potential by two-electrode voltage clamp assay				Eur J Med Chem 139: 232-241 (2017) Article DOI: 10.1016/j.ejmech.2017.08.015 BindingDB Entry DOI: 10.7270/Q2668GT4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 6 (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	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human Kv1.6 expressed in CHO cells at -80 mV holding potential by whole cell automated patch clamp method				Eur J Med Chem 139: 232-241 (2017) Article DOI: 10.1016/j.ejmech.2017.08.015 BindingDB Entry DOI: 10.7270/Q2668GT4
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human Kv1.1 expressed in CHO cells at -80 mV holding potential by whole cell automated patch clamp method				Eur J Med Chem 139: 232-241 (2017) Article DOI: 10.1016/j.ejmech.2017.08.015 BindingDB Entry DOI: 10.7270/Q2668GT4
					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 UniProtKB/TrEMBL 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 UniProtKB/TrEMBL 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
Potassium voltage-gated channel subfamily A member 2 (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	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human Kv1.2 expressed in CHO cells at -80 mV holding potential by whole cell automated patch clamp method				Eur J Med Chem 139: 232-241 (2017) Article DOI: 10.1016/j.ejmech.2017.08.015 BindingDB Entry DOI: 10.7270/Q2668GT4
					More data for this Ligand-Target Pair