BDBM50088361 1-{10-[3-(3-Nitro-phenyl)-allyl]-9,10-diaza-tricyclo[4.2.1.1*2,5*]dec-9-yl}-propan-1-one::CHEMBL67384

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

InChI Key: InChIKey=INFKZIOTOKLFCP-SOYVZNEKSA-N

Data: 5 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 5 hits for monomerid = 50088361   

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))	BDBM50088361 (1-{10-[3-(3-Nitro-phenyl)-allyl]-9,10-diaza-tricyc...) Show SMILES CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C\C=C\c1cccc(c1)[N+]([O-])=O |TLB:2:4:13:10.11,10:9:4:6.7,11:12:4:6.7,THB:14:13:4.5.8:10.11,14:13:4:6.7,6:5:13:10.11,7:8:13:10.11| Show InChI InChI=1S/C20H25N3O3/c1-2-20(24)22-18-10-11-19(22)17-9-8-16(18)21(17)12-4-6-14-5-3-7-15(13-14)23(25)26/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	9.5	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))	BDBM50088361 (1-{10-[3-(3-Nitro-phenyl)-allyl]-9,10-diaza-tricyc...) Show SMILES CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C\C=C\c1cccc(c1)[N+]([O-])=O |TLB:2:4:13:10.11,10:9:4:6.7,11:12:4:6.7,THB:14:13:4.5.8:10.11,14:13:4:6.7,6:5:13:10.11,7:8:13:10.11| Show InChI InChI=1S/C20H25N3O3/c1-2-20(24)22-18-10-11-19(22)17-9-8-16(18)21(17)12-4-6-14-5-3-7-15(13-14)23(25)26/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	10	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))	BDBM50088361 (1-{10-[3-(3-Nitro-phenyl)-allyl]-9,10-diaza-tricyc...) Show SMILES CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C\C=C\c1cccc(c1)[N+]([O-])=O |TLB:2:4:13:10.11,10:9:4:6.7,11:12:4:6.7,THB:14:13:4.5.8:10.11,14:13:4:6.7,6:5:13:10.11,7:8:13:10.11| Show InChI InChI=1S/C20H25N3O3/c1-2-20(24)22-18-10-11-19(22)17-9-8-16(18)21(17)12-4-6-14-5-3-7-15(13-14)23(25)26/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	40	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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50088361 (1-{10-[3-(3-Nitro-phenyl)-allyl]-9,10-diaza-tricyc...) Show SMILES CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C\C=C\c1cccc(c1)[N+]([O-])=O |TLB:2:4:13:10.11,10:9:4:6.7,11:12:4:6.7,THB:14:13:4.5.8:10.11,14:13:4:6.7,6:5:13:10.11,7:8:13:10.11| Show InChI InChI=1S/C20H25N3O3/c1-2-20(24)22-18-10-11-19(22)17-9-8-16(18)21(17)12-4-6-14-5-3-7-15(13-14)23(25)26/h3-7,13,16-19H,2,8-12H2,1H3/b6-4+/t16-,17?,18-,19?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	750	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 kappa 1 was determined in guinea pig homogenate using [3H]-U-69,593 as radioligand				J Med Chem 43: 2115-23 (2000) BindingDB Entry DOI: 10.7270/Q22N51HT
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50088361 (1-{10-[3-(3-Nitro-phenyl)-allyl]-9,10-diaza-tricyc...) Show SMILES CCC(=O)N1C2CC[C@H]1[C@@H]1CCC2N1C\C=C\c1cccc(c1)[N+]([O-])=O |TLB:2:4:13:10.11,10:9:4:6.7,11:12:4:6.7,THB:14:13:4.5.8:10.11,14:13:4:6.7,6:5:13:10.11,7:8:13:10.11| Show InChI InChI=1S/C20H25N3O3/c1-2-20(24)22-18-10-11-19(22)17-9-8-16(18)21(17)12-4-6-14-5-3-7-15(13-14)23(25)26/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	7.50E+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 delta 1 was determined in rat brain homogenate using [3H]-deltorphin II as radioligand				J Med Chem 43: 2115-23 (2000) BindingDB Entry DOI: 10.7270/Q22N51HT
					More data for this Ligand-Target Pair