BDBM50095710 4-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2,6-methano-benzo[d]azocin-3-yl)-butyronitrile::CHEMBL146775

SMILES: CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC#N

InChI Key: InChIKey=GTXYIOXMYVVGEC-SYGMWZTRSA-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 = 50095710   

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
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095710 (4-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...) Show SMILES CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14| Show InChI InChI=1S/C18H24N2O/c1-13-17-11-14-5-6-15(21)12-16(14)18(13,2)7-10-20(17)9-4-3-8-19/h5-6,12-13,17,21H,3-4,7,9-11H2,1-2H3/t13?,17?,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Ki value determined against Sigma opioid receptor type 1 using [(+)-[3H]pentazocaine at the Kd concentration 2nM .				J Med Chem 43: 5030-6 (2001) BindingDB Entry DOI: 10.7270/Q2CV4H0C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50095710 (4-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...) Show SMILES CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14| Show InChI InChI=1S/C18H24N2O/c1-13-17-11-14-5-6-15(21)12-16(14)18(13,2)7-10-20(17)9-4-3-8-19/h5-6,12-13,17,21H,3-4,7,9-11H2,1-2H3/t13?,17?,18-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Ki value determined against Opioid receptor kappa 1 using [3H]U69, 593 at the Kd concentration 0.95 nM				J Med Chem 43: 5030-6 (2001) BindingDB Entry DOI: 10.7270/Q2CV4H0C
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095710 (4-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...) Show SMILES CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14| Show InChI InChI=1S/C18H24N2O/c1-13-17-11-14-5-6-15(21)12-16(14)18(13,2)7-10-20(17)9-4-3-8-19/h5-6,12-13,17,21H,3-4,7,9-11H2,1-2H3/t13?,17?,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Ki value determined against Sigma opioid receptor type 2 using [3H]DTG(5nM) with 1microM dextrallorphan to mask sigma1 binding				J Med Chem 43: 5030-6 (2001) BindingDB Entry DOI: 10.7270/Q2CV4H0C
					More data for this Ligand-Target Pair