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SMILES: C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC=C

InChI Key: InChIKey=CJSCRZQGMXCHFS-VCMPKCBFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50095703   

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))	BDBM50095703 (3-But-3-enyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...) Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14| Show InChI InChI=1S/C18H25NO/c1-4-5-9-19-10-8-18(3)13(2)17(19)11-14-6-7-15(20)12-16(14)18/h4,6-7,12-13,17,20H,1,5,8-11H2,2-3H3/t13-,17?,18-/m0/s1	PDB UniProtKB/SwissProt 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
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)	BDBM50095703 (3-But-3-enyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...) Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14| Show InChI InChI=1S/C18H25NO/c1-4-5-9-19-10-8-18(3)13(2)17(19)11-14-6-7-15(20)12-16(14)18/h4,6-7,12-13,17,20H,1,5,8-11H2,2-3H3/t13-,17?,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.10	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)	BDBM50095703 (3-But-3-enyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...) Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14| Show InChI InChI=1S/C18H25NO/c1-4-5-9-19-10-8-18(3)13(2)17(19)11-14-6-7-15(20)12-16(14)18/h4,6-7,12-13,17,20H,1,5,8-11H2,2-3H3/t13-,17?,18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	21	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))	BDBM50095703 (3-But-3-enyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2...) Show SMILES C[C@H]1C2Cc3ccc(O)cc3[C@@]1(C)CCN2CCC=C |TLB:16:15:1:10.4.3,9:10:1:15.13.14| Show InChI InChI=1S/C18H25NO/c1-4-5-9-19-10-8-18(3)13(2)17(19)11-14-6-7-15(20)12-16(14)18/h4,6-7,12-13,17,20H,1,5,8-11H2,2-3H3/t13-,17?,18-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.60E+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 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