BDBM50017183 CHEMBL3287359

SMILES: OC(=O)c1ccc2n(Cc3cccc(c3)C(F)(F)F)cnc2c1

InChI Key: InChIKey=JAFOSQHHACGWOK-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 = 50017183   

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))	BDBM50017183 (CHEMBL3287359) Show SMILES OC(=O)c1ccc2n(Cc3cccc(c3)C(F)(F)F)cnc2c1 Show InChI InChI=1S/C16H11F3N2O2/c17-16(18,19)12-3-1-2-10(6-12)8-21-9-20-13-7-11(15(22)23)4-5-14(13)21/h1-7,9H,8H2,(H,22,23)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	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 (Drosophila melanogaster)	BDBM50017183 (CHEMBL3287359) Show SMILES OC(=O)c1ccc2n(Cc3cccc(c3)C(F)(F)F)cnc2c1 Show InChI InChI=1S/C16H11F3N2O2/c17-16(18,19)12-3-1-2-10(6-12)8-21-9-20-13-7-11(15(22)23)4-5-14(13)21/h1-7,9H,8H2,(H,22,23)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+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
Delta-aminolevulinic acid dehydratase, chloroplastic (Pisum sativum)	BDBM50017183 (CHEMBL3287359) Show SMILES OC(=O)c1ccc2n(Cc3cccc(c3)C(F)(F)F)cnc2c1 Show InChI InChI=1S/C16H11F3N2O2/c17-16(18,19)12-3-1-2-10(6-12)8-21-9-20-13-7-11(15(22)23)4-5-14(13)21/h1-7,9H,8H2,(H,22,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.85E+4	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
Delta-aminolevulinic acid dehydratase (Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 /...)	BDBM50017183 (CHEMBL3287359) Show SMILES OC(=O)c1ccc2n(Cc3cccc(c3)C(F)(F)F)cnc2c1 Show InChI InChI=1S/C16H11F3N2O2/c17-16(18,19)12-3-1-2-10(6-12)8-21-9-20-13-7-11(15(22)23)4-5-14(13)21/h1-7,9H,8H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital of Bonn Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PAO1 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
Delta-aminolevulinic acid dehydratase (Homo sapiens (Human))	BDBM50017183 (CHEMBL3287359) Show SMILES OC(=O)c1ccc2n(Cc3cccc(c3)C(F)(F)F)cnc2c1 Show InChI InChI=1S/C16H11F3N2O2/c17-16(18,19)12-3-1-2-10(6-12)8-21-9-20-13-7-11(15(22)23)4-5-14(13)21/h1-7,9H,8H2,(H,22,23)	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	1.97E+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