BDBM50000087 3-(2-Cyclopropylmethyl-octahydro-isoquinolin-4a-yl)-phenol::CHEMBL153538

SMILES: Oc1cccc(c1)C12CCCC[C@H]1CN(CC1CC1)CC2

InChI Key: InChIKey=KFIQKMINEHFZSM-KKFHFHRHSA-N

Data: 2 KI  1 IC50

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 3 hits for monomerid = 50000087   

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 (Cavia porcellus (domestic guinea pig))	BDBM50000087 (3-(2-Cyclopropylmethyl-octahydro-isoquinolin-4a-yl...) Show SMILES Oc1cccc(c1)C12CCCC[C@H]1CN(CC1CC1)CC2 Show InChI InChI=1S/C19H27NO/c21-18-6-3-5-16(12-18)19-9-2-1-4-17(19)14-20(11-10-19)13-15-7-8-15/h3,5-6,12,15,17,21H,1-2,4,7-11,13-14H2/t17-,19?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Binding affinity to Opioid receptor kappa 1 in guinea pig cortex using [3H]EKC as radioligand				J Med Chem 31: 555-60 (1988) BindingDB Entry DOI: 10.7270/Q2HQ40HR
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50000087 (3-(2-Cyclopropylmethyl-octahydro-isoquinolin-4a-yl...) Show SMILES Oc1cccc(c1)C12CCCC[C@H]1CN(CC1CC1)CC2 Show InChI InChI=1S/C19H27NO/c21-18-6-3-5-16(12-18)19-9-2-1-4-17(19)14-20(11-10-19)13-15-7-8-15/h3,5-6,12,15,17,21H,1-2,4,7-11,13-14H2/t17-,19?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company Curated by ChEMBL					Assay Description Binding affinity to Opioid receptor mu 1 in rat brain using [3H]-NAL as radioligand				J Med Chem 31: 555-60 (1988) BindingDB Entry DOI: 10.7270/Q2HQ40HR
					More data for this Ligand-Target Pair
Opioid receptors; mu/kappa/delta (Homo sapiens (Human))	BDBM50000087 (3-(2-Cyclopropylmethyl-octahydro-isoquinolin-4a-yl...) Show SMILES Oc1cccc(c1)C12CCCC[C@H]1CN(CC1CC1)CC2 Show InChI InChI=1S/C19H27NO/c21-18-6-3-5-16(12-18)19-9-2-1-4-17(19)14-20(11-10-19)13-15-7-8-15/h3,5-6,12,15,17,21H,1-2,4,7-11,13-14H2/t17-,19?/m0/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Group Research Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against opioid receptor in Guinea pig ileum				J Med Chem 35: 48-56 (1992) BindingDB Entry DOI: 10.7270/Q2J105DC
					More data for this Ligand-Target Pair