BDBM50088369 1-{10-[3-(3-Chloro-phenyl)-allyl]-9,10-diaza-tricyclo[4.2.1.1*2,5*]dec-9-yl}-propan-1-one::CHEMBL303404

SMILES: CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C\C=C\c1cccc(Cl)c1

InChI Key: InChIKey=SQOZVRAOJBSOCO-SOYVZNEKSA-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 = 50088369   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50088369 (1-{10-[3-(3-Chloro-phenyl)-allyl]-9,10-diaza-tricy...) Show SMILES CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C\C=C\c1cccc(Cl)c1 |TLB:2:4:13:10.11,10:9:4:7.6,11:12:4:7.6,THB:7:8:13:10.11,6:5:13:10.11,14:13:4.5.8:10.11,14:13:4:7.6| Show InChI InChI=1S/C20H25ClN2O/c1-2-20(24)23-18-10-11-19(23)17-9-8-16(18)22(17)12-4-6-14-5-3-7-15(21)13-14/h3-7,13,16-19H,2,8-12H2,1H3/b6-4+/t16-,17?,18-,19?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Chimica Farmaceutica e Tossicologica Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor mu 1 was determined in rat brain homogenate using 3- arylpropenyl-8-propionyl-DBO derivative (3)				J Med Chem 43: 2115-23 (2000) BindingDB Entry DOI: 10.7270/Q22N51HT
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50088369 (1-{10-[3-(3-Chloro-phenyl)-allyl]-9,10-diaza-tricy...) Show SMILES CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C\C=C\c1cccc(Cl)c1 |TLB:2:4:13:10.11,10:9:4:7.6,11:12:4:7.6,THB:7:8:13:10.11,6:5:13:10.11,14:13:4.5.8:10.11,14:13:4:7.6| Show InChI InChI=1S/C20H25ClN2O/c1-2-20(24)23-18-10-11-19(23)17-9-8-16(18)22(17)12-4-6-14-5-3-7-15(21)13-14/h3-7,13,16-19H,2,8-12H2,1H3/b6-4+/t16-,17?,18-,19?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Chimica Farmaceutica e Tossicologica Curated by ChEMBL					Assay Description Binding affinity towards Opioid receptor mu 1 was determined in rat brain homogenate using 3- arylpropenyl-8-propionyl-DBO derivative (2)				J Med Chem 43: 2115-23 (2000) BindingDB Entry DOI: 10.7270/Q22N51HT
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50088369 (1-{10-[3-(3-Chloro-phenyl)-allyl]-9,10-diaza-tricy...) Show SMILES CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C\C=C\c1cccc(Cl)c1 |TLB:2:4:13:10.11,10:9:4:7.6,11:12:4:7.6,THB:7:8:13:10.11,6:5:13:10.11,14:13:4.5.8:10.11,14:13:4:7.6| Show InChI InChI=1S/C20H25ClN2O/c1-2-20(24)23-18-10-11-19(23)17-9-8-16(18)22(17)12-4-6-14-5-3-7-15(21)13-14/h3-7,13,16-19H,2,8-12H2,1H3/b6-4+/t16-,17?,18-,19?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Istituto di Chimica Farmaceutica e Tossicologica Curated by ChEMBL					Assay Description Inhibition of [3H]-DAMGO binding to rat brain homogenat Opioid receptor mu 1				J Med Chem 43: 2115-23 (2000) BindingDB Entry DOI: 10.7270/Q22N51HT
					More data for this Ligand-Target Pair