BDBM50289986 4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5-chloro-2-methoxy-benzamide; hydrochloride::CHEMBL558226::SC-52491

SMILES: COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2

InChI Key: InChIKey=MRKYTIJPEALHEE-UHFFFAOYSA-N

Data: 1 KI  8 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 10 hits for monomerid = 50289986   

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 3A (Homo sapiens (Human))	BDBM50289986 (4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21| Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity for the 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 7: 2149-2154 (1997) Article DOI: 10.1016/S0960-894X(97)00408-3 BindingDB Entry DOI: 10.7270/Q27S7NSJ
					More data for this Ligand-Target Pair
Neurokinin 1 receptor (Homo sapiens (Human))	BDBM50289986 (4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21| Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against Tachykinin receptor 1				Bioorg Med Chem Lett 7: 2149-2154 (1997) Article DOI: 10.1016/S0960-894X(97)00408-3 BindingDB Entry DOI: 10.7270/Q27S7NSJ
					More data for this Ligand-Target Pair
HTR4 (RAT)	BDBM50289986 (4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21| Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	n/a	51	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Agonist activity against serotonin 5-HT4 receptor in rat tunica muscularis mucosae assay				Bioorg Med Chem Lett 7: 2149-2154 (1997) Article DOI: 10.1016/S0960-894X(97)00408-3 BindingDB Entry DOI: 10.7270/Q27S7NSJ
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Homo sapiens (Human))	BDBM50289986 (4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21| Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against 5-hydroxytryptamine 2 receptor				Bioorg Med Chem Lett 7: 2149-2154 (1997) Article DOI: 10.1016/S0960-894X(97)00408-3 BindingDB Entry DOI: 10.7270/Q27S7NSJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50289986 (4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21| Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against Dopamine D2 receptor				Bioorg Med Chem Lett 7: 2149-2154 (1997) Article DOI: 10.1016/S0960-894X(97)00408-3 BindingDB Entry DOI: 10.7270/Q27S7NSJ
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50289986 (4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21| Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against Dopamine D1 receptor				Bioorg Med Chem Lett 7: 2149-2154 (1997) Article DOI: 10.1016/S0960-894X(97)00408-3 BindingDB Entry DOI: 10.7270/Q27S7NSJ
					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Rattus norvegicus (rat))	BDBM50289986 (4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21| Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against adrenergic alpha-2 receptor				Bioorg Med Chem Lett 7: 2149-2154 (1997) Article DOI: 10.1016/S0960-894X(97)00408-3 BindingDB Entry DOI: 10.7270/Q27S7NSJ
					More data for this Ligand-Target Pair
Adrenergic receptor beta (Homo sapiens (Human))	BDBM50289986 (4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21| Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against Beta adrenergic receptor				Bioorg Med Chem Lett 7: 2149-2154 (1997) Article DOI: 10.1016/S0960-894X(97)00408-3 BindingDB Entry DOI: 10.7270/Q27S7NSJ
					More data for this Ligand-Target Pair
Adrenergic alpha1B (Homo sapiens (Human))	BDBM50289986 (4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21| Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against adrenergic alpha-1 receptor				Bioorg Med Chem Lett 7: 2149-2154 (1997) Article DOI: 10.1016/S0960-894X(97)00408-3 BindingDB Entry DOI: 10.7270/Q27S7NSJ
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (RAT)	BDBM50289986 (4-Amino-N-(1-aza-tricyclo[3.3.1.0*3,7*]non-4-yl)-5...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1C2CC3CN(CC13)C2 |THB:17:16:13:18.19.21,15:16:19:13.14.21| Show InChI InChI=1S/C16H20ClN3O2/c1-22-14-4-13(18)12(17)3-10(14)16(21)19-15-9-2-8-5-20(6-9)7-11(8)15/h3-4,8-9,11,15H,2,5-7,18H2,1H3,(H,19,21)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for inhibitory activity against Muscarinic acetylcholine receptor				Bioorg Med Chem Lett 7: 2149-2154 (1997) Article DOI: 10.1016/S0960-894X(97)00408-3 BindingDB Entry DOI: 10.7270/Q27S7NSJ
					More data for this Ligand-Target Pair