BDBM50108390 4-Amino-5-chloro-2-methoxy-N-(2-methyl-2-aza-bicyclo[2.2.2]oct-5-yl)-benzamide::CHEMBL56994

SMILES: COc1cc(N)c(Cl)cc1C(=O)NC1CC2CCC1CN2C

InChI Key: InChIKey=KAVKRBZLNSOOJY-UHFFFAOYSA-N

Data: 2 KI  3 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 5 hits for monomerid = 50108390   

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
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50108390 (4-Amino-5-chloro-2-methoxy-N-(2-methyl-2-aza-bicyc...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CC2CCC1CN2C |TLB:12:13:20.19:17.16,21:20:13.14:17.16| Show InChI InChI=1S/C16H22ClN3O2/c1-20-8-9-3-4-10(20)5-14(9)19-16(21)11-6-12(17)13(18)7-15(11)22-2/h6-7,9-10,14H,3-5,8,18H2,1-2H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Alcal£ Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 in rat was evaluated				Bioorg Med Chem Lett 12: 189-92 (2001) BindingDB Entry DOI: 10.7270/Q20R9PX0
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50108390 (4-Amino-5-chloro-2-methoxy-N-(2-methyl-2-aza-bicyc...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CC2CCC1CN2C |TLB:12:13:20.19:17.16,21:20:13.14:17.16| Show InChI InChI=1S/C16H22ClN3O2/c1-20-8-9-3-4-10(20)5-14(9)19-16(21)11-6-12(17)13(18)7-15(11)22-2/h6-7,9-10,14H,3-5,8,18H2,1-2H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	842	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Alcal£ Curated by ChEMBL					Assay Description Binding affinity towards D2 receptor in rat was evaluated				Bioorg Med Chem Lett 12: 189-92 (2001) BindingDB Entry DOI: 10.7270/Q20R9PX0
					More data for this Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM50108390 (4-Amino-5-chloro-2-methoxy-N-(2-methyl-2-aza-bicyc...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CC2CCC1CN2C |TLB:12:13:20.19:17.16,21:20:13.14:17.16| Show InChI InChI=1S/C16H22ClN3O2/c1-20-8-9-3-4-10(20)5-14(9)19-16(21)11-6-12(17)13(18)7-15(11)22-2/h6-7,9-10,14H,3-5,8,18H2,1-2H3,(H,19,21)	PDB UniProtKB/SwissProt 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
Universidad de Alcal£ Curated by ChEMBL					Assay Description Binding affinity towards 5-HT3 receptor in rat was evaluated				Bioorg Med Chem Lett 12: 189-92 (2001) BindingDB Entry DOI: 10.7270/Q20R9PX0
					More data for this Ligand-Target Pair
HTR4 (GUINEA PIG)	BDBM50108390 (4-Amino-5-chloro-2-methoxy-N-(2-methyl-2-aza-bicyc...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CC2CCC1CN2C |TLB:12:13:20.19:17.16,21:20:13.14:17.16| Show InChI InChI=1S/C16H22ClN3O2/c1-20-8-9-3-4-10(20)5-14(9)19-16(21)11-6-12(17)13(18)7-15(11)22-2/h6-7,9-10,14H,3-5,8,18H2,1-2H3,(H,19,21)	UniProtKB/SwissProt 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
Universidad de Alcal£ Curated by ChEMBL					Assay Description Binding affinity towards 5-HT4 receptor in striatum membranes of guinea-pig brain was evaluated				Bioorg Med Chem Lett 12: 189-92 (2001) BindingDB Entry DOI: 10.7270/Q20R9PX0
					More data for this Ligand-Target Pair
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor (Rattus norvegicus-RAT)	BDBM50108390 (4-Amino-5-chloro-2-methoxy-N-(2-methyl-2-aza-bicyc...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)NC1CC2CCC1CN2C |TLB:12:13:20.19:17.16,21:20:13.14:17.16| Show InChI InChI=1S/C16H22ClN3O2/c1-20-8-9-3-4-10(20)5-14(9)19-16(21)11-6-12(17)13(18)7-15(11)22-2/h6-7,9-10,14H,3-5,8,18H2,1-2H3,(H,19,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Alcal£ Curated by ChEMBL					Assay Description Binding affinity towards 5-hydroxytryptamine 4 receptor in striatum membranes of guinea-pig brain was evaluated				Bioorg Med Chem Lett 12: 189-92 (2001) BindingDB Entry DOI: 10.7270/Q20R9PX0
					More data for this Ligand-Target Pair