BDBM50385243 CHEMBL2037608

SMILES: COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1

InChI Key: InChIKey=MURCULVYVOMYIO-MRXNPFEDSA-N

Data: 5 KI  5 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 10 hits for monomerid = 50385243   

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))	BDBM50385243 (CHEMBL2037608) Show SMILES COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	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]-Nalpha-methylhistamine from human histamine H3 receptor expressed in CHO cells after 4 hrs by scintillation proximity assay				Bioorg Med Chem 20: 3880-6 (2012) Article DOI: 10.1016/j.bmc.2012.04.028 BindingDB Entry DOI: 10.7270/Q27D2W64
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50385243 (CHEMBL2037608) Show SMILES COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	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]-Nalpha-methylhistamine from rat histamine H3 receptor expressed in CHO-A3 cells after 4 hrs by scintillation proximity assay				Bioorg Med Chem 20: 3880-6 (2012) Article DOI: 10.1016/j.bmc.2012.04.028 BindingDB Entry DOI: 10.7270/Q27D2W64
					More data for this Ligand-Target Pair
Histamine H2 Receptor (Homo sapiens (Human))	BDBM50385243 (CHEMBL2037608) Show SMILES COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Binding affinity to human histamine H2 receptor				Bioorg Med Chem 20: 3880-6 (2012) Article DOI: 10.1016/j.bmc.2012.04.028 BindingDB Entry DOI: 10.7270/Q27D2W64
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50385243 (CHEMBL2037608) Show SMILES COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Binding affinity to human histamine H1 receptor				Bioorg Med Chem 20: 3880-6 (2012) Article DOI: 10.1016/j.bmc.2012.04.028 BindingDB Entry DOI: 10.7270/Q27D2W64
					More data for this Ligand-Target Pair
Histamine H4 receptor (Homo sapiens (Human))	BDBM50385243 (CHEMBL2037608) Show SMILES COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Binding affinity to human histamine H4 receptor				Bioorg Med Chem 20: 3880-6 (2012) Article DOI: 10.1016/j.bmc.2012.04.028 BindingDB Entry DOI: 10.7270/Q27D2W64
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50385243 (CHEMBL2037608) Show SMILES COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/m1/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank 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 20: 3880-6 (2012) Article DOI: 10.1016/j.bmc.2012.04.028 BindingDB Entry DOI: 10.7270/Q27D2W64
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50385243 (CHEMBL2037608) Show SMILES COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/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 20: 3880-6 (2012) Article DOI: 10.1016/j.bmc.2012.04.028 BindingDB Entry DOI: 10.7270/Q27D2W64
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50385243 (CHEMBL2037608) Show SMILES COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/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 20: 3880-6 (2012) Article DOI: 10.1016/j.bmc.2012.04.028 BindingDB Entry DOI: 10.7270/Q27D2W64
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50385243 (CHEMBL2037608) Show SMILES COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/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 20: 3880-6 (2012) Article DOI: 10.1016/j.bmc.2012.04.028 BindingDB Entry DOI: 10.7270/Q27D2W64
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50385243 (CHEMBL2037608) Show SMILES COCn1ncc(cc1=O)-c1ccc(OCCCN2CCC[C@H]2C)cc1 |r| Show InChI InChI=1S/C20H27N3O3/c1-16-5-3-10-22(16)11-4-12-26-19-8-6-17(7-9-19)18-13-20(24)23(15-25-2)21-14-18/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3/t16-/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 20: 3880-6 (2012) Article DOI: 10.1016/j.bmc.2012.04.028 BindingDB Entry DOI: 10.7270/Q27D2W64
					More data for this Ligand-Target Pair