BDBM50017192 CHEMBL3287368

SMILES: COc1cccc(Cn2cnc3cc(ccc23)C(O)=O)c1

InChI Key: InChIKey=KYTGMQCHVSBDAJ-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50017192   

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
Delta-aminolevulinic acid dehydratase (Wolbachia sp. subsp. Brugia malayi (strain TRS))	BDBM50017192 (CHEMBL3287368) Show SMILES COc1cccc(Cn2cnc3cc(ccc23)C(O)=O)c1 Show InChI InChI=1S/C16H14N2O3/c1-21-13-4-2-3-11(7-13)9-18-10-17-14-8-12(16(19)20)5-6-15(14)18/h2-8,10H,9H2,1H3,(H,19,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.05E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of Bonn Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged Wolbachia PBGS using 5-ALA as substrate				J Med Chem 57: 2498-510 (2014) Article DOI: 10.1021/jm401785n BindingDB Entry DOI: 10.7270/Q2QZ2CJ8
					More data for this Ligand-Target Pair
Delta-aminolevulinic acid dehydratase (Vibrio cholerae serotype O1 (strain M66-2))	BDBM50017192 (CHEMBL3287368) Show SMILES COc1cccc(Cn2cnc3cc(ccc23)C(O)=O)c1 Show InChI InChI=1S/C16H14N2O3/c1-21-13-4-2-3-11(7-13)9-18-10-17-14-8-12(16(19)20)5-6-15(14)18/h2-8,10H,9H2,1H3,(H,19,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+6	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of Bonn Curated by ChEMBL					Assay Description Inhibition of Vibrio cholerae recombinant PBGS expressed in Escherichia coli using 5-ALA as substrate				J Med Chem 57: 2498-510 (2014) Article DOI: 10.1021/jm401785n BindingDB Entry DOI: 10.7270/Q2QZ2CJ8
					More data for this Ligand-Target Pair
Delta-aminolevulinic acid dehydratase, chloroplastic (Pisum sativum)	BDBM50017192 (CHEMBL3287368) Show SMILES COc1cccc(Cn2cnc3cc(ccc23)C(O)=O)c1 Show InChI InChI=1S/C16H14N2O3/c1-21-13-4-2-3-11(7-13)9-18-10-17-14-8-12(16(19)20)5-6-15(14)18/h2-8,10H,9H2,1H3,(H,19,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.55E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of Bonn Curated by ChEMBL					Assay Description Inhibition of Pisum sativum PBGS using 5-ALA as substrate				J Med Chem 57: 2498-510 (2014) Article DOI: 10.1021/jm401785n BindingDB Entry DOI: 10.7270/Q2QZ2CJ8
					More data for this Ligand-Target Pair
Porphobilinogen synthase (Homo sapiens (Human))	BDBM50017192 (CHEMBL3287368) Show SMILES COc1cccc(Cn2cnc3cc(ccc23)C(O)=O)c1 Show InChI InChI=1S/C16H14N2O3/c1-21-13-4-2-3-11(7-13)9-18-10-17-14-8-12(16(19)20)5-6-15(14)18/h2-8,10H,9H2,1H3,(H,19,20)	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	1.56E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of Bonn Curated by ChEMBL					Assay Description Inhibition of human PBGS using 5-ALA as substrate				J Med Chem 57: 2498-510 (2014) Article DOI: 10.1021/jm401785n BindingDB Entry DOI: 10.7270/Q2QZ2CJ8
					More data for this Ligand-Target Pair
Delta-aminolevulinic acid dehydratase (Drosophila melanogaster)	BDBM50017192 (CHEMBL3287368) Show SMILES COc1cccc(Cn2cnc3cc(ccc23)C(O)=O)c1 Show InChI InChI=1S/C16H14N2O3/c1-21-13-4-2-3-11(7-13)9-18-10-17-14-8-12(16(19)20)5-6-15(14)18/h2-8,10H,9H2,1H3,(H,19,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of Bonn Curated by ChEMBL					Assay Description Inhibition of Drosophila melanogaster recombinant PBGS using 5-ALA as substrate				J Med Chem 57: 2498-510 (2014) Article DOI: 10.1021/jm401785n BindingDB Entry DOI: 10.7270/Q2QZ2CJ8
					More data for this Ligand-Target Pair