BDBM50037478 (6S,11R)-6,11-Dimethyl-3-propyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol::CHEMBL117379

SMILES: CCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21

InChI Key: InChIKey=ZEAPGLAZVMAAGJ-VUOHQMJNSA-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 = 50037478   

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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50037478 ((6S,11R)-6,11-Dimethyl-3-propyl-1,2,3,4,5,6-hexahy...) Show SMILES CCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:2:3:8:18.12.11,THB:17:18:8:3.5.4| Show InChI InChI=1S/C17H25NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h5-6,11-12,16,19H,4,7-10H2,1-3H3/t12-,16?,17-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.5	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50037478 ((6S,11R)-6,11-Dimethyl-3-propyl-1,2,3,4,5,6-hexahy...) Show SMILES CCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:2:3:8:18.12.11,THB:17:18:8:3.5.4| Show InChI InChI=1S/C17H25NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h5-6,11-12,16,19H,4,7-10H2,1-3H3/t12-,16?,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	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 (Rattus norvegicus (rat))	BDBM50037478 ((6S,11R)-6,11-Dimethyl-3-propyl-1,2,3,4,5,6-hexahy...) Show SMILES CCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:2:3:8:18.12.11,THB:17:18:8:3.5.4| Show InChI InChI=1S/C17H25NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h5-6,11-12,16,19H,4,7-10H2,1-3H3/t12-,16?,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.60	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))	BDBM50037478 ((6S,11R)-6,11-Dimethyl-3-propyl-1,2,3,4,5,6-hexahy...) Show SMILES CCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:2:3:8:18.12.11,THB:17:18:8:3.5.4| Show InChI InChI=1S/C17H25NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h5-6,11-12,16,19H,4,7-10H2,1-3H3/t12-,16?,17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	37	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
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50037478 ((6S,11R)-6,11-Dimethyl-3-propyl-1,2,3,4,5,6-hexahy...) Show SMILES CCCN1CC[C@@]2(C)[C@@H](C)C1Cc1ccc(O)cc21 |TLB:2:3:8:18.12.11,THB:17:18:8:3.5.4| Show InChI InChI=1S/C17H25NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h5-6,11-12,16,19H,4,7-10H2,1-3H3/t12-,16?,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	739	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