BDBM50042730 4-Amino-5-chloro-N-[5-(4-fluoro-benzyl)-octahydro-quinolizin-2-yl]-2-methoxy-benzamide::CHEMBL2112608

SMILES: COc1cc(Br)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC

InChI Key: InChIKey=LPJUXGCWOZCVCP-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 = 50042730   

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))	BDBM50042730 (4-Amino-5-chloro-N-[5-(4-fluoro-benzyl)-octahydro-...) Show SMILES COc1cc(Br)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC |TLB:20:19:14.15.16:18.11.12,THB:10:11:14.15.16:19| Show InChI InChI=1S/C24H28BrFN2O3/c1-30-22-11-16(25)10-21(23(22)31-2)24(29)27-18-12-19-4-3-5-20(13-18)28(19)14-15-6-8-17(26)9-7-15/h6-11,18-20H,3-5,12-14H2,1-2H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description Inhibition of [125I]- NCQ 298 binding to D2 receptor of rat striatal tissue				J Med Chem 36: 3707-20 (1994) BindingDB Entry DOI: 10.7270/Q2MK6DH1
					More data for this Ligand-Target Pair
Serotonin 2 (5-HT2) receptor (Rattus norvegicus (rat)-RAT-Rattus norvegicus (Rat...)	BDBM50042730 (4-Amino-5-chloro-N-[5-(4-fluoro-benzyl)-octahydro-...) Show SMILES COc1cc(Br)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC |TLB:20:19:14.15.16:18.11.12,THB:10:11:14.15.16:19| Show InChI InChI=1S/C24H28BrFN2O3/c1-30-22-11-16(25)10-21(23(22)31-2)24(29)27-18-12-19-4-3-5-20(13-18)28(19)14-15-6-8-17(26)9-7-15/h6-11,18-20H,3-5,12-14H2,1-2H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vitro binding affinity on 5-hydroxytryptamine 2 receptor is inhibition of binding of [125I]- I-LSD to P11 cells				J Med Chem 36: 3707-20 (1994) BindingDB Entry DOI: 10.7270/Q2MK6DH1
					More data for this Ligand-Target Pair
Adrenergic receptor alpha-2 (RAT-NEONATAL RAT-Rattus norvegicus (rat))	BDBM50042730 (4-Amino-5-chloro-N-[5-(4-fluoro-benzyl)-octahydro-...) Show SMILES COc1cc(Br)cc(C(=O)NC2CC3CCCC(C2)N3Cc2ccc(F)cc2)c1OC |TLB:20:19:14.15.16:18.11.12,THB:10:11:14.15.16:19| Show InChI InChI=1S/C24H28BrFN2O3/c1-30-22-11-16(25)10-21(23(22)31-2)24(29)27-18-12-19-4-3-5-20(13-18)28(19)14-15-6-8-17(26)9-7-15/h6-11,18-20H,3-5,12-14H2,1-2H3,(H,27,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pennsylvania Curated by ChEMBL					Assay Description In vitro binding affinity on alpha-2 receptor is inhibition of binding of [3H]- rauwolscine to rat cortex				J Med Chem 36: 3707-20 (1994) BindingDB Entry DOI: 10.7270/Q2MK6DH1
					More data for this Ligand-Target Pair