BDBM50068039 1-{3-[(5-Bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)-amino]-propyl}-3-[3-(1H-imidazol-4-yl)-propyl]-thiourea::CHEMBL103769

SMILES: Clc1ccc(CN(CCCNC(=S)NCCCc2cnc[nH]2)c2ccc(Br)cn2)cc1Cl

InChI Key: InChIKey=UREJDUPKGMFJRU-UHFFFAOYSA-N

Data: 4 KI  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 6 hits for monomerid = 50068039   

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
Somatostatin receptor type 4 (Homo sapiens (Human))	BDBM50068039 (1-{3-[(5-Bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)...) Show SMILES Clc1ccc(CN(CCCNC(=S)NCCCc2cnc[nH]2)c2ccc(Br)cn2)cc1Cl Show InChI InChI=1S/C22H25BrCl2N6S/c23-17-5-7-21(29-12-17)31(14-16-4-6-19(24)20(25)11-16)10-2-9-28-22(32)27-8-1-3-18-13-26-15-30-18/h4-7,11-13,15H,1-3,8-10,14H2,(H,26,30)(H2,27,28,32)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institut Henri Beaufour Curated by ChEMBL					Assay Description Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cells expressing cloned human SRIF receptor (sst-4) subtype				J Med Chem 44: 2990-3000 (2001) BindingDB Entry DOI: 10.7270/Q2DB82JT
					More data for this Ligand-Target Pair
Somatostatin receptor type 4 (Homo sapiens (Human))	BDBM50068039 (1-{3-[(5-Bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)...) Show SMILES Clc1ccc(CN(CCCNC(=S)NCCCc2cnc[nH]2)c2ccc(Br)cn2)cc1Cl Show InChI InChI=1S/C22H25BrCl2N6S/c23-17-5-7-21(29-12-17)31(14-16-4-6-19(24)20(25)11-16)10-2-9-28-22(32)27-8-1-3-18-13-26-15-30-18/h4-7,11-13,15H,1-3,8-10,14H2,(H,26,30)(H2,27,28,32)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Louisiana University Curated by ChEMBL					Assay Description In vitro binding affinity at somatostatin receptor 4 in transfected BHK cells using [125 I]Tyr11-SRIF-14 as radioligand				J Med Chem 41: 4693-705 (1998) Article DOI: 10.1021/jm980118e BindingDB Entry DOI: 10.7270/Q2TT4RNG
					More data for this Ligand-Target Pair
Somatostatin receptor type 4 (Homo sapiens (Human))	BDBM50068039 (1-{3-[(5-Bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)...) Show SMILES Clc1ccc(CN(CCCNC(=S)NCCCc2cnc[nH]2)c2ccc(Br)cn2)cc1Cl Show InChI InChI=1S/C22H25BrCl2N6S/c23-17-5-7-21(29-12-17)31(14-16-4-6-19(24)20(25)11-16)10-2-9-28-22(32)27-8-1-3-18-13-26-15-30-18/h4-7,11-13,15H,1-3,8-10,14H2,(H,26,30)(H2,27,28,32)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Binding affinity to human SST4 receptor				Medchemcomm 3: 56-60 (2012) Article DOI: 10.1039/c1md00200g BindingDB Entry DOI: 10.7270/Q2XP77XJ
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM50068039 (1-{3-[(5-Bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)...) Show SMILES Clc1ccc(CN(CCCNC(=S)NCCCc2cnc[nH]2)c2ccc(Br)cn2)cc1Cl Show InChI InChI=1S/C22H25BrCl2N6S/c23-17-5-7-21(29-12-17)31(14-16-4-6-19(24)20(25)11-16)10-2-9-28-22(32)27-8-1-3-18-13-26-15-30-18/h4-7,11-13,15H,1-3,8-10,14H2,(H,26,30)(H2,27,28,32)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	621	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northeast Louisiana University Curated by ChEMBL					Assay Description In vitro binding affinity at somatostatin 2 receptor in transfected HEK 293 cell using [125 I]Tyr11-SRIF-14 as radioligand				J Med Chem 41: 4693-705 (1998) Article DOI: 10.1021/jm980118e BindingDB Entry DOI: 10.7270/Q2TT4RNG
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50068039 (1-{3-[(5-Bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)...) Show SMILES Clc1ccc(CN(CCCNC(=S)NCCCc2cnc[nH]2)c2ccc(Br)cn2)cc1Cl Show InChI InChI=1S/C22H25BrCl2N6S/c23-17-5-7-21(29-12-17)31(14-16-4-6-19(24)20(25)11-16)10-2-9-28-22(32)27-8-1-3-18-13-26-15-30-18/h4-7,11-13,15H,1-3,8-10,14H2,(H,26,30)(H2,27,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translation Sciences Curated by ChEMBL					Assay Description Inhibition of wild type glucocerebrosidase in human spleen homogenate using 4-methylumbellifereno-Glc as substrate incubated for 5 mins prior to subs...				J Med Chem 55: 5734-48 (2012) Article DOI: 10.1021/jm300063b BindingDB Entry DOI: 10.7270/Q2H70GZ1
					More data for this Ligand-Target Pair
Lysosomal acid glucosylceramidase (Homo sapiens (Human))	BDBM50068039 (1-{3-[(5-Bromo-pyridin-2-yl)-(3,4-dichloro-benzyl)...) Show SMILES Clc1ccc(CN(CCCNC(=S)NCCCc2cnc[nH]2)c2ccc(Br)cn2)cc1Cl Show InChI InChI=1S/C22H25BrCl2N6S/c23-17-5-7-21(29-12-17)31(14-16-4-6-19(24)20(25)11-16)10-2-9-28-22(32)27-8-1-3-18-13-26-15-30-18/h4-7,11-13,15H,1-3,8-10,14H2,(H,26,30)(H2,27,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translation Sciences Curated by ChEMBL					Assay Description Inhibition of wild type glucocerebrosidase using 4-methylumbellifereno-Glc as substrate incubated for 5 mins prior to substrate addition measured aft...				J Med Chem 55: 5734-48 (2012) Article DOI: 10.1021/jm300063b BindingDB Entry DOI: 10.7270/Q2H70GZ1
					More data for this Ligand-Target Pair