BDBM50394614 CHEMBL2164579

SMILES: CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3nc(=O)o[nH]3)c12)C(F)(F)F

InChI Key: InChIKey=OWHAXINQHAYRCT-UHFFFAOYSA-N

Data: 1 IC50  3 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 4 hits for monomerid = 50394614   

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
Bombesin receptor subtype-3 (Mus musculus)	BDBM50394614 (CHEMBL2164579) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3nc(=O)o[nH]3)c12)C(F)(F)F Show InChI InChI=1S/C25H22F3N5O4S/c1-24(2,3)15-8-10-16(11-9-15)38(35,36)33-13-14-7-12-19(25(26,27)28)30-21(14)29-18-6-4-5-17(20(18)33)22-31-23(34)37-32-22/h4-12H,13H2,1-3H3,(H,29,30)(H,31,32,34)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	76	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at mouse BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay				ACS Med Chem Lett 3: 252-256 (2012) Article DOI: 10.1021/ml200304j BindingDB Entry DOI: 10.7270/Q2PG1ST9
					More data for this Ligand-Target Pair
Pregnane X receptor (Homo sapiens (Human))	BDBM50394614 (CHEMBL2164579) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3nc(=O)o[nH]3)c12)C(F)(F)F Show InChI InChI=1S/C25H22F3N5O4S/c1-24(2,3)15-8-10-16(11-9-15)38(35,36)33-13-14-7-12-19(25(26,27)28)30-21(14)29-18-6-4-5-17(20(18)33)22-31-23(34)37-32-22/h4-12H,13H2,1-3H3,(H,29,30)(H,31,32,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Activation of PXR				ACS Med Chem Lett 3: 252-256 (2012) Article DOI: 10.1021/ml200304j BindingDB Entry DOI: 10.7270/Q2PG1ST9
					More data for this Ligand-Target Pair
BRS3 (Homo sapiens (Human))	BDBM50394614 (CHEMBL2164579) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3nc(=O)o[nH]3)c12)C(F)(F)F Show InChI InChI=1S/C25H22F3N5O4S/c1-24(2,3)15-8-10-16(11-9-15)38(35,36)33-13-14-7-12-19(25(26,27)28)30-21(14)29-18-6-4-5-17(20(18)33)22-31-23(34)37-32-22/h4-12H,13H2,1-3H3,(H,29,30)(H,31,32,34)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting				ACS Med Chem Lett 3: 252-256 (2012) Article DOI: 10.1021/ml200304j BindingDB Entry DOI: 10.7270/Q2PG1ST9
					More data for this Ligand-Target Pair
BRS3 (Homo sapiens (Human))	BDBM50394614 (CHEMBL2164579) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3nc(=O)o[nH]3)c12)C(F)(F)F Show InChI InChI=1S/C25H22F3N5O4S/c1-24(2,3)15-8-10-16(11-9-15)38(35,36)33-13-14-7-12-19(25(26,27)28)30-21(14)29-18-6-4-5-17(20(18)33)22-31-23(34)37-32-22/h4-12H,13H2,1-3H3,(H,29,30)(H,31,32,34)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	77	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity at human BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay				ACS Med Chem Lett 3: 252-256 (2012) Article DOI: 10.1021/ml200304j BindingDB Entry DOI: 10.7270/Q2PG1ST9
					More data for this Ligand-Target Pair