BDBM50403962 CHEMBL81485

SMILES: CNCC1CC2N(O1)c1ccccc1Cc1ccccc21

InChI Key: InChIKey=LCKBEOTXTNWYRG-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 50403962   

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
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50403962 (CHEMBL81485) Show SMILES CNCC1CC2N(O1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2O/c1-19-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20(18)21-15/h2-9,15,18-19H,10-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Binding affinity for human cloned 5-hydroxytryptamine 1D receptor				Bioorg Med Chem Lett 12: 243-8 (2001) BindingDB Entry DOI: 10.7270/Q23J3F4C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50403962 (CHEMBL81485) Show SMILES CNCC1CC2N(O1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2O/c1-19-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20(18)21-15/h2-9,15,18-19H,10-12H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Binding affinity for human cloned 5-hydroxytryptamine 1A receptor				Bioorg Med Chem Lett 12: 243-8 (2001) BindingDB Entry DOI: 10.7270/Q23J3F4C
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50403962 (CHEMBL81485) Show SMILES CNCC1CC2N(O1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2O/c1-19-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20(18)21-15/h2-9,15,18-19H,10-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	191	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Binding affinity for human cloned Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 12: 243-8 (2001) BindingDB Entry DOI: 10.7270/Q23J3F4C
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50403962 (CHEMBL81485) Show SMILES CNCC1CC2N(O1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2O/c1-19-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20(18)21-15/h2-9,15,18-19H,10-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Binding affinity for human cloned Dopamine receptor D4				Bioorg Med Chem Lett 12: 243-8 (2001) BindingDB Entry DOI: 10.7270/Q23J3F4C
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50403962 (CHEMBL81485) Show SMILES CNCC1CC2N(O1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2O/c1-19-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20(18)21-15/h2-9,15,18-19H,10-12H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	<1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Binding affinity for human cloned Alpha-2C adrenergic receptor				Bioorg Med Chem Lett 12: 243-8 (2001) BindingDB Entry DOI: 10.7270/Q23J3F4C
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50403962 (CHEMBL81485) Show SMILES CNCC1CC2N(O1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2O/c1-19-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20(18)21-15/h2-9,15,18-19H,10-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Binding affinity for human cloned Dopamine receptor D2L				Bioorg Med Chem Lett 12: 243-8 (2001) BindingDB Entry DOI: 10.7270/Q23J3F4C
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50403962 (CHEMBL81485) Show SMILES CNCC1CC2N(O1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2O/c1-19-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20(18)21-15/h2-9,15,18-19H,10-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	339	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Binding affinity for human cloned Dopamine receptor D3				Bioorg Med Chem Lett 12: 243-8 (2001) BindingDB Entry DOI: 10.7270/Q23J3F4C
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50403962 (CHEMBL81485) Show SMILES CNCC1CC2N(O1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2O/c1-19-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20(18)21-15/h2-9,15,18-19H,10-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Binding affinity for human cloned Histamine H1 receptor expressed in CHO cells using [3H]pyrilamine as radioligand				Bioorg Med Chem Lett 12: 243-8 (2001) BindingDB Entry DOI: 10.7270/Q23J3F4C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50403962 (CHEMBL81485) Show SMILES CNCC1CC2N(O1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2O/c1-19-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20(18)21-15/h2-9,15,18-19H,10-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Binding affinity for human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells using [3H]mesulergine as radioligand				Bioorg Med Chem Lett 12: 243-8 (2001) BindingDB Entry DOI: 10.7270/Q23J3F4C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50403962 (CHEMBL81485) Show SMILES CNCC1CC2N(O1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2O/c1-19-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20(18)21-15/h2-9,15,18-19H,10-12H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Binding affinity for human cloned 5-hydroxytryptamine 7 receptor				Bioorg Med Chem Lett 12: 243-8 (2001) BindingDB Entry DOI: 10.7270/Q23J3F4C
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50403962 (CHEMBL81485) Show SMILES CNCC1CC2N(O1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2O/c1-19-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20(18)21-15/h2-9,15,18-19H,10-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Binding affinity for human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells using [125I]R91150 as radioligand				Bioorg Med Chem Lett 12: 243-8 (2001) BindingDB Entry DOI: 10.7270/Q23J3F4C
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50403962 (CHEMBL81485) Show SMILES CNCC1CC2N(O1)c1ccccc1Cc1ccccc21 Show InChI InChI=1S/C18H20N2O/c1-19-12-15-11-18-16-8-4-2-6-13(16)10-14-7-3-5-9-17(14)20(18)21-15/h2-9,15,18-19H,10-12H2,1H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	437	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Binding affinity for human cloned Alpha-2A adrenergic receptor				Bioorg Med Chem Lett 12: 243-8 (2001) BindingDB Entry DOI: 10.7270/Q23J3F4C
					More data for this Ligand-Target Pair