BDBM50384401 CHEMBL2031470

SMILES: C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1

InChI Key: InChIKey=XOHLGPHQMURXNY-OAHLLOKOSA-N

Data: 2 KI  5 IC50  1 EC50

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 8 hits for monomerid = 50384401   

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))	BDBM50384401 (CHEMBL2031470) Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1 |r| Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 22: 4198-202 (2012) Article DOI: 10.1016/j.bmcl.2012.04.001 BindingDB Entry DOI: 10.7270/Q2QR4Z52
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50384401 (CHEMBL2031470) Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1 |r| Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 22: 4198-202 (2012) Article DOI: 10.1016/j.bmcl.2012.04.001 BindingDB Entry DOI: 10.7270/Q2QR4Z52
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50384401 (CHEMBL2031470) Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1 |r| Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 22: 4198-202 (2012) Article DOI: 10.1016/j.bmcl.2012.04.001 BindingDB Entry DOI: 10.7270/Q2QR4Z52
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50384401 (CHEMBL2031470) Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1 |r| Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C19				Bioorg Med Chem Lett 22: 4198-202 (2012) Article DOI: 10.1016/j.bmcl.2012.04.001 BindingDB Entry DOI: 10.7270/Q2QR4Z52
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50384401 (CHEMBL2031470) Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1 |r| Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 22: 4198-202 (2012) Article DOI: 10.1016/j.bmcl.2012.04.001 BindingDB Entry DOI: 10.7270/Q2QR4Z52
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50384401 (CHEMBL2031470) Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1 |r| Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 22: 4198-202 (2012) Article DOI: 10.1016/j.bmcl.2012.04.001 BindingDB Entry DOI: 10.7270/Q2QR4Z52
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50384401 (CHEMBL2031470) Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1 |r| Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.70	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inverse agonist activity at human H3 receptor by [35S]GTPgamma binding assay				Bioorg Med Chem Lett 22: 4198-202 (2012) Article DOI: 10.1016/j.bmcl.2012.04.001 BindingDB Entry DOI: 10.7270/Q2QR4Z52
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50384401 (CHEMBL2031470) Show SMILES C[C@@H]1CCCN1CCCOc1ccc-2c(CCc3cc(=O)n(C)nc-23)c1 |r| Show InChI InChI=1S/C21H27N3O2/c1-15-5-3-10-24(15)11-4-12-26-18-8-9-19-16(13-18)6-7-17-14-20(25)23(2)22-21(17)19/h8-9,13-15H,3-7,10-12H2,1-2H3/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP1A2				Bioorg Med Chem Lett 22: 4198-202 (2012) Article DOI: 10.1016/j.bmcl.2012.04.001 BindingDB Entry DOI: 10.7270/Q2QR4Z52
					More data for this Ligand-Target Pair