BDBM50166562 4-Bromo-N-[4-(quinazolin-2-ylaminomethyl)-cyclohexylmethyl]-2-trifluoromethoxy-benzenesulfonamide::CHEMBL425012

SMILES: FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)NCC1CCC(CNc2ncc3ccccc3n2)CC1

InChI Key: InChIKey=BKDDSROSFZKQTN-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50166562   

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
Neuropeptide Y receptor type 5 ( NPY Y5) (Homo sapiens (Human))	BDBM50166562 (4-Bromo-N-[4-(quinazolin-2-ylaminomethyl)-cyclohex...) Show SMILES FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)NCC1CCC(CNc2ncc3ccccc3n2)CC1 |(6.79,-3.41,;8.33,-3.41,;9.87,-3.41,;8.33,-4.95,;8.38,-1.87,;9.73,-1.15,;11.04,-1.96,;12.39,-1.22,;13.71,-2.03,;12.44,.33,;11.13,1.12,;9.78,.39,;8.47,1.2,;9.22,2.53,;7.37,.11,;7.14,1.97,;5.81,1.21,;4.48,2,;3.13,1.23,;1.8,2.01,;1.83,3.54,;.5,4.31,;-.84,3.56,;-2.16,4.31,;-2.17,5.87,;-3.52,6.65,;-4.85,5.87,;-6.2,6.62,;-7.53,5.87,;-7.53,4.31,;-6.2,3.54,;-4.85,4.31,;-3.51,3.54,;3.16,4.31,;4.49,3.54,)| Show InChI InChI=1S/C23H24BrF3N4O3S/c24-18-9-10-21(20(11-18)34-23(25,26)27)35(32,33)30-13-16-7-5-15(6-8-16)12-28-22-29-14-17-3-1-2-4-19(17)31-22/h1-4,9-11,14-16,30H,5-8,12-13H2,(H,28,29,31)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibitory activity against constitutively activated human Neuropeptide Y receptor Y5 stransiently expressed in COS-1 cells using [125I]-PYY				Bioorg Med Chem Lett 15: 2565-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.052 BindingDB Entry DOI: 10.7270/Q2Z89BXQ
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor (Homo sapiens (Human))	BDBM50166562 (4-Bromo-N-[4-(quinazolin-2-ylaminomethyl)-cyclohex...) Show SMILES FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)NCC1CCC(CNc2ncc3ccccc3n2)CC1 |(6.79,-3.41,;8.33,-3.41,;9.87,-3.41,;8.33,-4.95,;8.38,-1.87,;9.73,-1.15,;11.04,-1.96,;12.39,-1.22,;13.71,-2.03,;12.44,.33,;11.13,1.12,;9.78,.39,;8.47,1.2,;9.22,2.53,;7.37,.11,;7.14,1.97,;5.81,1.21,;4.48,2,;3.13,1.23,;1.8,2.01,;1.83,3.54,;.5,4.31,;-.84,3.56,;-2.16,4.31,;-2.17,5.87,;-3.52,6.65,;-4.85,5.87,;-6.2,6.62,;-7.53,5.87,;-7.53,4.31,;-6.2,3.54,;-4.85,4.31,;-3.51,3.54,;3.16,4.31,;4.49,3.54,)| Show InChI InChI=1S/C23H24BrF3N4O3S/c24-18-9-10-21(20(11-18)34-23(25,26)27)35(32,33)30-13-16-7-5-15(6-8-16)12-28-22-29-14-17-3-1-2-4-19(17)31-22/h1-4,9-11,14-16,30H,5-8,12-13H2,(H,28,29,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibitory activity against mutated constitutively activated human Melanin concentrating hormone receptor 1 (CA-MCH-R1) stably expressed in HEK293 ce...				Bioorg Med Chem Lett 15: 2565-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.052 BindingDB Entry DOI: 10.7270/Q2Z89BXQ
					More data for this Ligand-Target Pair
Melanin-concentrating hormone receptor (Homo sapiens (Human))	BDBM50166562 (4-Bromo-N-[4-(quinazolin-2-ylaminomethyl)-cyclohex...) Show SMILES FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)NCC1CCC(CNc2ncc3ccccc3n2)CC1 |(6.79,-3.41,;8.33,-3.41,;9.87,-3.41,;8.33,-4.95,;8.38,-1.87,;9.73,-1.15,;11.04,-1.96,;12.39,-1.22,;13.71,-2.03,;12.44,.33,;11.13,1.12,;9.78,.39,;8.47,1.2,;9.22,2.53,;7.37,.11,;7.14,1.97,;5.81,1.21,;4.48,2,;3.13,1.23,;1.8,2.01,;1.83,3.54,;.5,4.31,;-.84,3.56,;-2.16,4.31,;-2.17,5.87,;-3.52,6.65,;-4.85,5.87,;-6.2,6.62,;-7.53,5.87,;-7.53,4.31,;-6.2,3.54,;-4.85,4.31,;-3.51,3.54,;3.16,4.31,;4.49,3.54,)| Show InChI InChI=1S/C23H24BrF3N4O3S/c24-18-9-10-21(20(11-18)34-23(25,26)27)35(32,33)30-13-16-7-5-15(6-8-16)12-28-22-29-14-17-3-1-2-4-19(17)31-22/h1-4,9-11,14-16,30H,5-8,12-13H2,(H,28,29,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibitory activity against mutated constitutively activated human Melanin concentrating hormone receptor 1 (CA-MCH-R1) stably expressed in HEK293 ce...				Bioorg Med Chem Lett 15: 2565-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.052 BindingDB Entry DOI: 10.7270/Q2Z89BXQ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50166562 (4-Bromo-N-[4-(quinazolin-2-ylaminomethyl)-cyclohex...) Show SMILES FC(F)(F)Oc1cc(Br)ccc1S(=O)(=O)NCC1CCC(CNc2ncc3ccccc3n2)CC1 |(6.79,-3.41,;8.33,-3.41,;9.87,-3.41,;8.33,-4.95,;8.38,-1.87,;9.73,-1.15,;11.04,-1.96,;12.39,-1.22,;13.71,-2.03,;12.44,.33,;11.13,1.12,;9.78,.39,;8.47,1.2,;9.22,2.53,;7.37,.11,;7.14,1.97,;5.81,1.21,;4.48,2,;3.13,1.23,;1.8,2.01,;1.83,3.54,;.5,4.31,;-.84,3.56,;-2.16,4.31,;-2.17,5.87,;-3.52,6.65,;-4.85,5.87,;-6.2,6.62,;-7.53,5.87,;-7.53,4.31,;-6.2,3.54,;-4.85,4.31,;-3.51,3.54,;3.16,4.31,;4.49,3.54,)| Show InChI InChI=1S/C23H24BrF3N4O3S/c24-18-9-10-21(20(11-18)34-23(25,26)27)35(32,33)30-13-16-7-5-15(6-8-16)12-28-22-29-14-17-3-1-2-4-19(17)31-22/h1-4,9-11,14-16,30H,5-8,12-13H2,(H,28,29,31)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Taisho Pharmaceutical Co. Ltd Curated by ChEMBL					Assay Description Inhibitory activity against constitutively activated human Alpha-2A adrenergic receptor transiently expressed in COS-1 cells using [3H]-MK912				Bioorg Med Chem Lett 15: 2565-9 (2005) Article DOI: 10.1016/j.bmcl.2005.03.052 BindingDB Entry DOI: 10.7270/Q2Z89BXQ
					More data for this Ligand-Target Pair