BDBM50099807 CHEMBL54866::N-(9-Benzyl-9-aza-bicyclo[3.3.1]non-3-yl)-5-iodo-2,3-dimethoxy-benzamide

SMILES: COc1cc(I)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)c1OC

InChI Key: InChIKey=RLMCMXONOFRGMR-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 50099807   

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(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50099807 (CHEMBL54866 | N-(9-Benzyl-9-aza-bicyclo[3.3.1]non-...) Show SMILES COc1cc(I)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)c1OC |TLB:10:11:19:14.16.15| Show InChI InChI=1S/C24H29IN2O3/c1-29-22-12-17(25)11-21(23(22)30-2)24(28)26-18-13-19-9-6-10-20(14-18)27(19)15-16-7-4-3-5-8-16/h3-5,7-8,11-12,18-20H,6,9-10,13-15H2,1-2H3,(H,26,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University School of Medicine Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D3 expressed in Sf9 cells using [125I]-IABN the radioligand.				J Med Chem 44: 1815-26 (2001) BindingDB Entry DOI: 10.7270/Q2NK3DBZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50099807 (CHEMBL54866 | N-(9-Benzyl-9-aza-bicyclo[3.3.1]non-...) Show SMILES COc1cc(I)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)c1OC |TLB:10:11:19:14.16.15| Show InChI InChI=1S/C24H29IN2O3/c1-29-22-12-17(25)11-21(23(22)30-2)24(28)26-18-13-19-9-6-10-20(14-18)27(19)15-16-7-4-3-5-8-16/h3-5,7-8,11-12,18-20H,6,9-10,13-15H2,1-2H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University School of Medicine Curated by ChEMBL					Assay Description Binding affinity for dopamine receptor D2 long expressed in Sf9 cells using [125I]-IABN radioligand.				J Med Chem 44: 1815-26 (2001) BindingDB Entry DOI: 10.7270/Q2NK3DBZ
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50099807 (CHEMBL54866 | N-(9-Benzyl-9-aza-bicyclo[3.3.1]non-...) Show SMILES COc1cc(I)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccccc2)c1OC |TLB:10:11:19:14.16.15| Show InChI InChI=1S/C24H29IN2O3/c1-29-22-12-17(25)11-21(23(22)30-2)24(28)26-18-13-19-9-6-10-20(14-18)27(19)15-16-7-4-3-5-8-16/h3-5,7-8,11-12,18-20H,6,9-10,13-15H2,1-2H3,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wake Forest University School of Medicine Curated by ChEMBL					Assay Description Binding affinity for sigma-1 receptor measured on guinea pig brain membranes using [3H]-(+)-pentazocine as radioligand.				J Med Chem 44: 1815-26 (2001) BindingDB Entry DOI: 10.7270/Q2NK3DBZ
					More data for this Ligand-Target Pair