BDBM50166559 Butane-1-sulfonic acid {4-[(4-dimethylamino-quinazolin-2-ylamino)-methyl]-cyclohexylmethyl}-amide::CHEMBL193666

SMILES: CCCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1

InChI Key: InChIKey=RCMYMJSBSVKJNP-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50166559   

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
Melanin-concentrating hormone receptor (Homo sapiens (Human))	BDBM50166559 (Butane-1-sulfonic acid {4-[(4-dimethylamino-quinaz...) Show SMILES CCCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1 |(14.22,-3.39,;12.86,-4.13,;11.56,-3.32,;10.2,-4.04,;8.89,-3.24,;7.78,-4.32,;9.64,-1.9,;7.56,-2.46,;6.21,-3.23,;4.88,-2.45,;4.9,-.91,;3.57,-.12,;2.24,-.89,;.91,-.12,;-.44,-.89,;-1.75,-.12,;-1.77,1.44,;-3.12,2.21,;-3.12,3.75,;-4.52,4.4,;-1.82,4.59,;-4.45,1.42,;-5.78,2.19,;-7.11,1.42,;-7.11,-.12,;-5.78,-.89,;-4.45,-.12,;-3.1,-.89,;2.22,-2.43,;3.55,-3.2,)| Show InChI InChI=1S/C22H35N5O2S/c1-4-5-14-30(28,29)24-16-18-12-10-17(11-13-18)15-23-22-25-20-9-7-6-8-19(20)21(26-22)27(2)3/h6-9,17-18,24H,4-5,10-16H2,1-3H3,(H,23,25,26)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50166559 (Butane-1-sulfonic acid {4-[(4-dimethylamino-quinaz...) Show SMILES CCCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1 |(14.22,-3.39,;12.86,-4.13,;11.56,-3.32,;10.2,-4.04,;8.89,-3.24,;7.78,-4.32,;9.64,-1.9,;7.56,-2.46,;6.21,-3.23,;4.88,-2.45,;4.9,-.91,;3.57,-.12,;2.24,-.89,;.91,-.12,;-.44,-.89,;-1.75,-.12,;-1.77,1.44,;-3.12,2.21,;-3.12,3.75,;-4.52,4.4,;-1.82,4.59,;-4.45,1.42,;-5.78,2.19,;-7.11,1.42,;-7.11,-.12,;-5.78,-.89,;-4.45,-.12,;-3.1,-.89,;2.22,-2.43,;3.55,-3.2,)| Show InChI InChI=1S/C22H35N5O2S/c1-4-5-14-30(28,29)24-16-18-12-10-17(11-13-18)15-23-22-25-20-9-7-6-8-19(20)21(26-22)27(2)3/h6-9,17-18,24H,4-5,10-16H2,1-3H3,(H,23,25,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	58	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
Neuropeptide Y receptor type 5 ( NPY Y5) (Homo sapiens (Human))	BDBM50166559 (Butane-1-sulfonic acid {4-[(4-dimethylamino-quinaz...) Show SMILES CCCCS(=O)(=O)NCC1CCC(CNc2nc(N(C)C)c3ccccc3n2)CC1 |(14.22,-3.39,;12.86,-4.13,;11.56,-3.32,;10.2,-4.04,;8.89,-3.24,;7.78,-4.32,;9.64,-1.9,;7.56,-2.46,;6.21,-3.23,;4.88,-2.45,;4.9,-.91,;3.57,-.12,;2.24,-.89,;.91,-.12,;-.44,-.89,;-1.75,-.12,;-1.77,1.44,;-3.12,2.21,;-3.12,3.75,;-4.52,4.4,;-1.82,4.59,;-4.45,1.42,;-5.78,2.19,;-7.11,1.42,;-7.11,-.12,;-5.78,-.89,;-4.45,-.12,;-3.1,-.89,;2.22,-2.43,;3.55,-3.2,)| Show InChI InChI=1S/C22H35N5O2S/c1-4-5-14-30(28,29)24-16-18-12-10-17(11-13-18)15-23-22-25-20-9-7-6-8-19(20)21(26-22)27(2)3/h6-9,17-18,24H,4-5,10-16H2,1-3H3,(H,23,25,26)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.90	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