BDBM50037472 (6R,11S)-3-Butyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol::CHEMBL326571

SMILES: CCCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21

InChI Key: InChIKey=GIRAXIKYUCVHAU-IBAPBDAKSA-N

Data: 5 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 5 hits for monomerid = 50037472   

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 (Homo sapiens (Human))	BDBM50037472 ((6R,11S)-3-Butyl-6,11-dimethyl-1,2,3,4,5,6-hexahyd...) Show SMILES CCCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5| Show InChI InChI=1S/C18H27NO/c1-4-5-9-19-10-8-18(3)13(2)17(19)11-14-6-7-15(20)12-16(14)18/h6-7,12-13,17,20H,4-5,8-11H2,1-3H3/t13-,17?,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition against sigma receptor using displacement of 3 nM [3H]pentazocine in homogenate of guinea pig brain cerebellum				J Med Chem 37: 3408-18 (1994) BindingDB Entry DOI: 10.7270/Q2M32WD4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50037472 ((6R,11S)-3-Butyl-6,11-dimethyl-1,2,3,4,5,6-hexahyd...) Show SMILES CCCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5| Show InChI InChI=1S/C18H27NO/c1-4-5-9-19-10-8-18(3)13(2)17(19)11-14-6-7-15(20)12-16(14)18/h6-7,12-13,17,20H,4-5,8-11H2,1-3H3/t13-,17?,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	783	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Inhibition against kappa receptor from displacement studies using 1.5 nM [3H]U-69593 in rhesus monkey cortex membrane				J Med Chem 37: 3408-18 (1994) BindingDB Entry DOI: 10.7270/Q2M32WD4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50037472 ((6R,11S)-3-Butyl-6,11-dimethyl-1,2,3,4,5,6-hexahyd...) Show SMILES CCCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5| Show InChI InChI=1S/C18H27NO/c1-4-5-9-19-10-8-18(3)13(2)17(19)11-14-6-7-15(20)12-16(14)18/h6-7,12-13,17,20H,4-5,8-11H2,1-3H3/t13-,17?,18-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.24E+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 Inhibition against mu receptor from displacement studies using 0.5 nM [3H]-DAMGO in rhesus monkey cortex membrane				J Med Chem 37: 3408-18 (1994) BindingDB Entry DOI: 10.7270/Q2M32WD4
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50037472 ((6R,11S)-3-Butyl-6,11-dimethyl-1,2,3,4,5,6-hexahyd...) Show SMILES CCCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5| Show InChI InChI=1S/C18H27NO/c1-4-5-9-19-10-8-18(3)13(2)17(19)11-14-6-7-15(20)12-16(14)18/h6-7,12-13,17,20H,4-5,8-11H2,1-3H3/t13-,17?,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.88E+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 Inhibition against mu receptor using [3H]DAMGO in homogenate of rat brain cerebellum				J Med Chem 37: 3408-18 (1994) BindingDB Entry DOI: 10.7270/Q2M32WD4
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50037472 ((6R,11S)-3-Butyl-6,11-dimethyl-1,2,3,4,5,6-hexahyd...) Show SMILES CCCCN1CC[C@]2(C)[C@H](C)C1Cc1ccc(O)cc21 |TLB:3:4:9:19.13.12,THB:18:19:9:4.6.5| Show InChI InChI=1S/C18H27NO/c1-4-5-9-19-10-8-18(3)13(2)17(19)11-14-6-7-15(20)12-16(14)18/h6-7,12-13,17,20H,4-5,8-11H2,1-3H3/t13-,17?,18-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.00E+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 Inhibition against delta receptor from displacement studies using 1.5 nM [3H]DPDPE in rhesus monkey cortex membrane				J Med Chem 37: 3408-18 (1994) BindingDB Entry DOI: 10.7270/Q2M32WD4
					More data for this Ligand-Target Pair