BDBM50138120 CHEMBL3753093

SMILES: CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1

InChI Key: InChIKey=MLNZYIQIFPHNKO-UHFFFAOYSA-N

Data: 2 KI  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 5 hits for monomerid = 50138120   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50138120 (CHEMBL3753093) Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C22H35N3O2/c1-16(2)24-13-10-21(11-14-24)27-20-7-5-18(6-8-20)22(26)23-19-9-12-25(15-19)17(3)4/h5-8,16-17,19,21H,9-15H2,1-4H3,(H,23,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd Curated by ChEMBL					Assay Description Binding affinity to recombinant human H3 receptor				Eur J Med Chem 108: 655-62 (2016) BindingDB Entry DOI: 10.7270/Q2F191KF
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50138120 (CHEMBL3753093) Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C22H35N3O2/c1-16(2)24-13-10-21(11-14-24)27-20-7-5-18(6-8-20)22(26)23-19-9-12-25(15-19)17(3)4/h5-8,16-17,19,21H,9-15H2,1-4H3,(H,23,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd Curated by ChEMBL					Assay Description Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor				Eur J Med Chem 108: 655-62 (2016) BindingDB Entry DOI: 10.7270/Q2F191KF
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50138120 (CHEMBL3753093) Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C22H35N3O2/c1-16(2)24-13-10-21(11-14-24)27-20-7-5-18(6-8-20)22(26)23-19-9-12-25(15-19)17(3)4/h5-8,16-17,19,21H,9-15H2,1-4H3,(H,23,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 after 2 mins by LC-MS/MS analysis				Eur J Med Chem 108: 655-62 (2016) BindingDB Entry DOI: 10.7270/Q2F191KF
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50138120 (CHEMBL3753093) Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C22H35N3O2/c1-16(2)24-13-10-21(11-14-24)27-20-7-5-18(6-8-20)22(26)23-19-9-12-25(15-19)17(3)4/h5-8,16-17,19,21H,9-15H2,1-4H3,(H,23,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 after 12 mins by LC-MS/MS analysis				Eur J Med Chem 108: 655-62 (2016) BindingDB Entry DOI: 10.7270/Q2F191KF
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50138120 (CHEMBL3753093) Show SMILES CC(C)N1CCC(C1)NC(=O)c1ccc(OC2CCN(CC2)C(C)C)cc1 Show InChI InChI=1S/C22H35N3O2/c1-16(2)24-13-10-21(11-14-24)27-20-7-5-18(6-8-20)22(26)23-19-9-12-25(15-19)17(3)4/h5-8,16-17,19,21H,9-15H2,1-4H3,(H,23,26)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	324	n/a	n/a	n/a	n/a	n/a	n/a
Suven Life Sciences Ltd Curated by ChEMBL					Assay Description Antagonist activity at recombinant human H3 receptor expressed on CHO-K1 cells assessed as cAMP level by luciferase gene reporter assay				Eur J Med Chem 108: 655-62 (2016) BindingDB Entry DOI: 10.7270/Q2F191KF
					More data for this Ligand-Target Pair