BDBM50079579 CHEMBL3417505

SMILES: C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C

InChI Key: InChIKey=ADTARRIQWGUIIA-BULQSVBWSA-N

Data: 2 KI  6 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 8 hits for monomerid = 50079579   

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))	BDBM50079579 (CHEMBL3417505) Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C |r,t:11| Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Teva Global R&D. Curated by ChEMBL					Assay Description Binding affinity to human histamine H3 receptor				Eur J Med Chem 95: 349-56 (2015) Article DOI: 10.1016/j.ejmech.2015.03.054 BindingDB Entry DOI: 10.7270/Q2C24Z4M
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50079579 (CHEMBL3417505) Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C |r,t:11| Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Teva Global R&D. Curated by ChEMBL					Assay Description Binding affinity to rat histamine H3 receptor				Eur J Med Chem 95: 349-56 (2015) Article DOI: 10.1016/j.ejmech.2015.03.054 BindingDB Entry DOI: 10.7270/Q2C24Z4M
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50079579 (CHEMBL3417505) Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C |r,t:11| Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/m0/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
Teva Global R&D. Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				Eur J Med Chem 95: 349-56 (2015) Article DOI: 10.1016/j.ejmech.2015.03.054 BindingDB Entry DOI: 10.7270/Q2C24Z4M
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50079579 (CHEMBL3417505) Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C |r,t:11| Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/m0/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
Teva Global R&D. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 (unknown origin)				Eur J Med Chem 95: 349-56 (2015) Article DOI: 10.1016/j.ejmech.2015.03.054 BindingDB Entry DOI: 10.7270/Q2C24Z4M
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50079579 (CHEMBL3417505) Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C |r,t:11| Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/m0/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	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Teva Global R&D. Curated by ChEMBL					Assay Description Inhibition of human ERG by patch clamp technique				Eur J Med Chem 95: 349-56 (2015) Article DOI: 10.1016/j.ejmech.2015.03.054 BindingDB Entry DOI: 10.7270/Q2C24Z4M
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50079579 (CHEMBL3417505) Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C |r,t:11| Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/m0/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
Teva Global R&D. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				Eur J Med Chem 95: 349-56 (2015) Article DOI: 10.1016/j.ejmech.2015.03.054 BindingDB Entry DOI: 10.7270/Q2C24Z4M
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50079579 (CHEMBL3417505) Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C |r,t:11| Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/m0/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
Teva Global R&D. Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				Eur J Med Chem 95: 349-56 (2015) Article DOI: 10.1016/j.ejmech.2015.03.054 BindingDB Entry DOI: 10.7270/Q2C24Z4M
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50079579 (CHEMBL3417505) Show SMILES C[C@H](COc1ccc(cc1)C1=NNC(=O)C2CC12)CN1CCC[C@H]1C |r,t:11| Show InChI InChI=1S/C20H27N3O2/c1-13(11-23-9-3-4-14(23)2)12-25-16-7-5-15(6-8-16)19-17-10-18(17)20(24)22-21-19/h5-8,13-14,17-18H,3-4,9-12H2,1-2H3,(H,22,24)/t13-,14+,17?,18?/m0/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
Teva Global R&D. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				Eur J Med Chem 95: 349-56 (2015) Article DOI: 10.1016/j.ejmech.2015.03.054 BindingDB Entry DOI: 10.7270/Q2C24Z4M
					More data for this Ligand-Target Pair