BDBM50153531 3-(2,6-Dichloro-phenyl)-5-(2-[1,3]dioxan-2-yl-ethyl)-isoxazole-4-carboxylic acid (4-diethylamino-cyclohexyl)-amide::CHEMBL184093

SMILES: CCN(CC)[C@H]1CC[C@@H](CC1)NC(=O)c1c(CCC2OCCCO2)onc1-c1c(Cl)cccc1Cl

InChI Key: InChIKey=RSFWAAPPGVXXRL-IYARVYRRSA-N

Data: 2 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 2 hits for monomerid = 50153531   

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
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50153531 (3-(2,6-Dichloro-phenyl)-5-(2-[1,3]dioxan-2-yl-ethy...) Show SMILES CCN(CC)[C@H]1CC[C@@H](CC1)NC(=O)c1c(CCC2OCCCO2)onc1-c1c(Cl)cccc1Cl |wU:8.11,wD:5.4,(8.75,-.96,;7.28,-.47,;6.14,-1.52,;6.45,-3.02,;7.92,-3.51,;4.67,-1.03,;4.35,.47,;2.88,.95,;1.75,-.05,;2.06,-1.59,;3.52,-2.05,;.29,.39,;-.86,-.63,;-.53,-2.15,;-2.33,-.17,;-2.8,1.31,;-1.91,2.54,;-2.54,3.94,;-1.63,5.2,;-2.26,6.6,;-1.35,7.82,;.17,7.66,;.8,6.28,;-.09,5.06,;-4.33,1.28,;-4.82,-.17,;-3.56,-1.07,;-3.56,-2.61,;-2.21,-3.38,;-.68,-3.38,;-2.21,-4.92,;-3.56,-5.7,;-4.89,-4.92,;-4.89,-3.38,;-6.22,-2.61,)| Show InChI InChI=1S/C26H35Cl2N3O4/c1-3-31(4-2)18-11-9-17(10-12-18)29-26(32)24-21(13-14-22-33-15-6-16-34-22)35-30-25(24)23-19(27)7-5-8-20(23)28/h5,7-8,17-18,22H,3-4,6,9-16H2,1-2H3,(H,29,32)/t17-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Ability to inhibit ghrelin induced increase in intracellular [Ca2+] in CHO-K cells				Bioorg Med Chem Lett 14: 5223-6 (2004) Article DOI: 10.1016/j.bmcl.2004.06.060 BindingDB Entry DOI: 10.7270/Q2Z60NJD
					More data for this Ligand-Target Pair
Growth hormone secretagogue receptor type 1 (Homo sapiens (Human))	BDBM50153531 (3-(2,6-Dichloro-phenyl)-5-(2-[1,3]dioxan-2-yl-ethy...) Show SMILES CCN(CC)[C@H]1CC[C@@H](CC1)NC(=O)c1c(CCC2OCCCO2)onc1-c1c(Cl)cccc1Cl |wU:8.11,wD:5.4,(8.75,-.96,;7.28,-.47,;6.14,-1.52,;6.45,-3.02,;7.92,-3.51,;4.67,-1.03,;4.35,.47,;2.88,.95,;1.75,-.05,;2.06,-1.59,;3.52,-2.05,;.29,.39,;-.86,-.63,;-.53,-2.15,;-2.33,-.17,;-2.8,1.31,;-1.91,2.54,;-2.54,3.94,;-1.63,5.2,;-2.26,6.6,;-1.35,7.82,;.17,7.66,;.8,6.28,;-.09,5.06,;-4.33,1.28,;-4.82,-.17,;-3.56,-1.07,;-3.56,-2.61,;-2.21,-3.38,;-.68,-3.38,;-2.21,-4.92,;-3.56,-5.7,;-4.89,-4.92,;-4.89,-3.38,;-6.22,-2.61,)| Show InChI InChI=1S/C26H35Cl2N3O4/c1-3-31(4-2)18-11-9-17(10-12-18)29-26(32)24-21(13-14-22-33-15-6-16-34-22)35-30-25(24)23-19(27)7-5-8-20(23)28/h5,7-8,17-18,22H,3-4,6,9-16H2,1-2H3,(H,29,32)/t17-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Ability to displace [125I]-ghrelin from cloned human GHS-R expressed in CHO-K cells was determined (Kd of ghrelin is 0.4 nM)				Bioorg Med Chem Lett 14: 5223-6 (2004) Article DOI: 10.1016/j.bmcl.2004.06.060 BindingDB Entry DOI: 10.7270/Q2Z60NJD
					More data for this Ligand-Target Pair