BDBM50095714 7-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2,6-methano-benzo[d]azocin-3-yl)-heptanenitrile::CHEMBL424503

SMILES: CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCCC#N

InChI Key: InChIKey=XKDFSTVBCWLGSK-LFNLJPBCSA-N

Data: 2 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 2 hits for monomerid = 50095714   

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)	BDBM50095714 (7-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...) Show SMILES CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14| Show InChI InChI=1S/C21H30N2O/c1-16-20-14-17-8-9-18(24)15-19(17)21(16,2)10-13-23(20)12-7-5-3-4-6-11-22/h8-9,15-16,20,24H,3-7,10,12-14H2,1-2H3/t16?,20?,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	16	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
Sigma non-opioid intracellular receptor 1 (RAT)	BDBM50095714 (7-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...) Show SMILES CC1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14| Show InChI InChI=1S/C21H30N2O/c1-16-20-14-17-8-9-18(24)15-19(17)21(16,2)10-13-23(20)12-7-5-3-4-6-11-22/h8-9,15-16,20,24H,3-7,10,12-14H2,1-2H3/t16?,20?,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.90E+3	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