BDBM50089153 4-[(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-yl)-(3-methoxy-phenyl)-amino]-N,N-diethyl-benzamide::CHEMBL3085004

SMILES: [H][C@]12CC[C@]([H])(C[C@@H](C1)N(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(OC)c1)N2CC=C

InChI Key: InChIKey=CGHIKABGTLSZGS-OCYIUTNCSA-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 = 50089153   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50089153 (4-[(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-yl)-(3-metho...) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)N(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(OC)c1)N2CC=C |r,TLB:9:7:31:3.2| Show InChI InChI=1S/C28H37N3O2/c1-5-17-30-23-15-16-24(30)19-26(18-23)31(25-9-8-10-27(20-25)33-4)22-13-11-21(12-14-22)28(32)29(6-2)7-3/h5,8-14,20,23-24,26H,1,6-7,15-19H2,2-4H3/t23-,24+,26+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacement of [3H]-DADLE radioligand				Bioorg Med Chem Lett 10: 1281-4 (2000) BindingDB Entry DOI: 10.7270/Q2P84B3K
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50089153 (4-[(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-yl)-(3-metho...) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)N(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(OC)c1)N2CC=C |r,TLB:9:7:31:3.2| Show InChI InChI=1S/C28H37N3O2/c1-5-17-30-23-15-16-24(30)19-26(18-23)31(25-9-8-10-27(20-25)33-4)22-13-11-21(12-14-22)28(32)29(6-2)7-3/h5,8-14,20,23-24,26H,1,6-7,15-19H2,2-4H3/t23-,24+,26+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacement of [3H]-U-69,593 radioligand				Bioorg Med Chem Lett 10: 1281-4 (2000) BindingDB Entry DOI: 10.7270/Q2P84B3K
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50089153 (4-[(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-yl)-(3-metho...) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)N(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(OC)c1)N2CC=C |r,TLB:9:7:31:3.2| Show InChI InChI=1S/C28H37N3O2/c1-5-17-30-23-15-16-24(30)19-26(18-23)31(25-9-8-10-27(20-25)33-4)22-13-11-21(12-14-22)28(32)29(6-2)7-3/h5,8-14,20,23-24,26H,1,6-7,15-19H2,2-4H3/t23-,24+,26+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.55E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacement of [3H]-DAMGO radioligand				Bioorg Med Chem Lett 10: 1281-4 (2000) BindingDB Entry DOI: 10.7270/Q2P84B3K
					More data for this Ligand-Target Pair