BDBM50089155 4-[(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-yl)-(3-hydroxy-phenyl)-amino]-N,N-diethyl-benzamide::CHEMBL3085002

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

InChI Key: InChIKey=WUITXQXCDIWJTG-FVRPBGSPSA-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 = 50089155   

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))	BDBM50089155 (4-[(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-yl)-(3-hydro...) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)N(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(O)c1)N2CC=C |r,TLB:9:7:30:3.2| Show InChI InChI=1S/C27H35N3O2/c1-4-16-29-22-14-15-23(29)18-25(17-22)30(24-8-7-9-26(31)19-24)21-12-10-20(11-13-21)27(32)28(5-2)6-3/h4,7-13,19,22-23,25,31H,1,5-6,14-18H2,2-3H3/t22-,23+,25+	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
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))	BDBM50089155 (4-[(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-yl)-(3-hydro...) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)N(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(O)c1)N2CC=C |r,TLB:9:7:30:3.2| Show InChI InChI=1S/C27H35N3O2/c1-4-16-29-22-14-15-23(29)18-25(17-22)30(24-8-7-9-26(31)19-24)21-12-10-20(11-13-21)27(32)28(5-2)6-3/h4,7-13,19,22-23,25,31H,1,5-6,14-18H2,2-3H3/t22-,23+,25+	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	73	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))	BDBM50089155 (4-[(8-Allyl-8-aza-bicyclo[3.2.1]oct-3-yl)-(3-hydro...) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)N(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(O)c1)N2CC=C |r,TLB:9:7:30:3.2| Show InChI InChI=1S/C27H35N3O2/c1-4-16-29-22-14-15-23(29)18-25(17-22)30(24-8-7-9-26(31)19-24)21-12-10-20(11-13-21)27(32)28(5-2)6-3/h4,7-13,19,22-23,25,31H,1,5-6,14-18H2,2-3H3/t22-,23+,25+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	686	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