BDBM50403975 CHEMBL315772

SMILES: CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21

InChI Key: InChIKey=JTLCTTWVUAIQHD-UHFFFAOYSA-N

Data: 23 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 23 hits for monomerid = 50403975   

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
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	479	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity against Alpha-2A adrenergic receptor				Bioorg Med Chem Lett 12: 3573-7 (2002) BindingDB Entry DOI: 10.7270/Q26M384X
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	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: 249-53 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1N3V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity against 5-HT1D receptor				Bioorg Med Chem Lett 12: 3573-7 (2002) BindingDB Entry DOI: 10.7270/Q26M384X
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D2L				Bioorg Med Chem Lett 12: 3573-7 (2002) BindingDB Entry DOI: 10.7270/Q26M384X
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D3				Bioorg Med Chem Lett 12: 3573-7 (2002) BindingDB Entry DOI: 10.7270/Q26M384X
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity against Alpha-1A adrenergic receptor				Bioorg Med Chem Lett 12: 3573-7 (2002) BindingDB Entry DOI: 10.7270/Q26M384X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity against 5-HT2C receptor				Bioorg Med Chem Lett 12: 3573-7 (2002) BindingDB Entry DOI: 10.7270/Q26M384X
					More data for this Ligand-Target Pair
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	871	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity against Alpha-3A adrenergic receptor				Bioorg Med Chem Lett 12: 3573-7 (2002) BindingDB Entry DOI: 10.7270/Q26M384X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity against 5-HT1A receptor				Bioorg Med Chem Lett 12: 3573-7 (2002) BindingDB Entry DOI: 10.7270/Q26M384X
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity against Dopamine receptor D4				Bioorg Med Chem Lett 12: 3573-7 (2002) BindingDB Entry DOI: 10.7270/Q26M384X
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity against 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 12: 3573-7 (2002) BindingDB Entry DOI: 10.7270/Q26M384X
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	479	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: 249-53 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1N3V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	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: 249-53 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1N3V
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Binding affinity at human cloned Histamine H1 receptor expressed in CHO cells by [3H]pyrilamine displacement.				Bioorg Med Chem Lett 12: 249-53 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1N3V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1D (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	135	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: 249-53 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1N3V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Binding affinity for rat Dopamine receptor D2				Bioorg Med Chem Lett 12: 249-53 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1N3V
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.60	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: 249-53 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1N3V
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	871	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: 249-53 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1N3V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Binding affinity at human cloned 5-hydroxytryptamine 2C receptor expressed in CHO cells by [3H]mesulergine displacement.				Bioorg Med Chem Lett 12: 249-53 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1N3V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Janssen-Cilag Curated by ChEMBL					Assay Description Binding affinity at human cloned 5-hydroxytryptamine 2A receptor expressed in L929 cells by [125I]R91150 displacement.				Bioorg Med Chem Lett 12: 249-53 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1N3V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.70	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: 249-53 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1N3V
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.550	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: 249-53 (2001) BindingDB Entry DOI: 10.7270/Q2ZW1N3V
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50403975 (CHEMBL315772) Show SMILES CN(C)CC1CC2N(O1)c1cc(Cl)ccc1Cc1ccccc21 Show InChI InChI=1S/C19H21ClN2O/c1-21(2)12-16-11-19-17-6-4-3-5-13(17)9-14-7-8-15(20)10-18(14)22(19)23-16/h3-8,10,16,19H,9,11-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Binding affinity against Histamine H1 receptor				Bioorg Med Chem Lett 12: 3573-7 (2002) BindingDB Entry DOI: 10.7270/Q26M384X
					More data for this Ligand-Target Pair