BDBM50095696 6-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2,6-methano-benzo[d]azocin-3-yl)-hexanenitrile::CHEMBL147649

SMILES: C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCC#N

InChI Key: InChIKey=FWTRUJOYDODEHD-VBSNWNEZSA-N

Data: 4 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 4 hits for monomerid = 50095696   

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
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50095696 (6-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...) Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14| Show InChI InChI=1S/C20H28N2O/c1-15-19-13-16-7-8-17(23)14-18(16)20(15,2)9-12-22(19)11-6-4-3-5-10-21/h7-8,14-15,19,23H,3-6,9,11-13H2,1-2H3/t15-,19?,20-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	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
Mu-type opioid receptor (MOUSE)	BDBM50095696 (6-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...) Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14| Show InChI InChI=1S/C20H28N2O/c1-15-19-13-16-7-8-17(23)14-18(16)20(15,2)9-12-22(19)11-6-4-3-5-10-21/h7-8,14-15,19,23H,3-6,9,11-13H2,1-2H3/t15-,19?,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	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 mu 1 using [3H]-DAMGO at the Kd concentration 0.57 nM				J Med Chem 43: 5030-6 (2001) BindingDB Entry DOI: 10.7270/Q2CV4H0C
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50095696 (6-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...) Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14| Show InChI InChI=1S/C20H28N2O/c1-15-19-13-16-7-8-17(23)14-18(16)20(15,2)9-12-22(19)11-6-4-3-5-10-21/h7-8,14-15,19,23H,3-6,9,11-13H2,1-2H3/t15-,19?,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	220	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 delta 1 using [3H]-DPDPE at the Kd concentration 2.1 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 (Mus musculus (Mouse))	BDBM50095696 (6-(8-Hydroxy-6,11-dimethyl-1,2,5,6-tetrahydro-4H-2...) Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCCCCC#N |TLB:16:15:1:10.4.3,9:10:1:15.13.14| Show InChI InChI=1S/C20H28N2O/c1-15-19-13-16-7-8-17(23)14-18(16)20(15,2)9-12-22(19)11-6-4-3-5-10-21/h7-8,14-15,19,23H,3-6,9,11-13H2,1-2H3/t15-,19?,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	640	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