BDBM50124575 CHEMBL3623735

SMILES: OC(=O)c1ccccc1Nc1cccc(c1)S(F)(F)(F)(F)F

InChI Key: InChIKey=AOSAIHVVLGCXQM-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

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 = 50124575   

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
Acid-sensing ion channel 5 (Rattus norvegicus)	BDBM50124575 (CHEMBL3623735) Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)S(F)(F)(F)(F)F Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-5-3-4-9(8-10)19-12-7-2-1-6-11(12)13(20)21/h1-8,19H,(H,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.40E+6	n/a	n/a	n/a	n/a
RWTH Aachen University Curated by ChEMBL					Assay Description Binding affinity to rat bile acid-sensitive ion channel expressed in xenopus oocytes				Bioorg Med Chem Lett 25: 4437-40 (2015) BindingDB Entry DOI: 10.7270/Q2M04786
					More data for this Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) (Homo sapiens (Human))	BDBM50124575 (CHEMBL3623735) Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)S(F)(F)(F)(F)F Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-5-3-4-9(8-10)19-12-7-2-1-6-11(12)13(20)21/h1-8,19H,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
RWTH Aachen University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) using S-tetralol as substrate				Bioorg Med Chem Lett 25: 4437-40 (2015) BindingDB Entry DOI: 10.7270/Q2M04786
					More data for this Ligand-Target Pair
Cyclooxygenase (Homo sapiens (Human))	BDBM50124575 (CHEMBL3623735) Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)S(F)(F)(F)(F)F Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-5-3-4-9(8-10)19-12-7-2-1-6-11(12)13(20)21/h1-8,19H,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
RWTH Aachen University Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin) using arachidonic acid substrate by colorimetric assay				Bioorg Med Chem Lett 25: 4437-40 (2015) BindingDB Entry DOI: 10.7270/Q2M04786
					More data for this Ligand-Target Pair
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50124575 (CHEMBL3623735) Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)S(F)(F)(F)(F)F Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-5-3-4-9(8-10)19-12-7-2-1-6-11(12)13(20)21/h1-8,19H,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
RWTH Aachen University Curated by ChEMBL					Assay Description Inhibition of COX1 (unknown origin) using arachidonic acid substrate by colorimetric assay				Bioorg Med Chem Lett 25: 4437-40 (2015) BindingDB Entry DOI: 10.7270/Q2M04786
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50124575 (CHEMBL3623735) Show SMILES OC(=O)c1ccccc1Nc1cccc(c1)S(F)(F)(F)(F)F Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-5-3-4-9(8-10)19-12-7-2-1-6-11(12)13(20)21/h1-8,19H,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
RWTH Aachen University Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C2 (unknown origin) using S-tetralol as substrate				Bioorg Med Chem Lett 25: 4437-40 (2015) BindingDB Entry DOI: 10.7270/Q2M04786
					More data for this Ligand-Target Pair