BDBM50272330 (1S,9R,10S)-17-(cyclobutylmethyl)-4-(3-hydroxypropoxy)-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-trien-10-ol hydrochloride::CHEMBL500123

SMILES: OCCCOc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1

InChI Key: InChIKey=QPPZFSRZSRBETL-TZRRMPRUSA-N

Data: 3 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 3 hits for monomerid = 50272330   

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 (Homo sapiens (Human))	BDBM50272330 ((1S,9R,10S)-17-(cyclobutylmethyl)-4-(3-hydroxyprop...) Show SMILES OCCCOc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:12:11:8.26.9:24| Show InChI InChI=1S/C24H35NO3/c26-13-4-14-28-20-8-7-19-15-22-24(27)10-2-1-9-23(24,21(19)16-20)11-12-25(22)17-18-5-3-6-18/h7-8,16,18,22,26-27H,1-6,9-15,17H2/t22-,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 4474-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.054 BindingDB Entry DOI: 10.7270/Q2K07423
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50272330 ((1S,9R,10S)-17-(cyclobutylmethyl)-4-(3-hydroxyprop...) Show SMILES OCCCOc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:12:11:8.26.9:24| Show InChI InChI=1S/C24H35NO3/c26-13-4-14-28-20-8-7-19-15-22-24(27)10-2-1-9-23(24,21(19)16-20)11-12-25(22)17-18-5-3-6-18/h7-8,16,18,22,26-27H,1-6,9-15,17H2/t22-,23+,24-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 4474-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.054 BindingDB Entry DOI: 10.7270/Q2K07423
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50272330 ((1S,9R,10S)-17-(cyclobutylmethyl)-4-(3-hydroxyprop...) Show SMILES OCCCOc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:12:11:8.26.9:24| Show InChI InChI=1S/C24H35NO3/c26-13-4-14-28-20-8-7-19-15-22-24(27)10-2-1-9-23(24,21(19)16-20)11-12-25(22)17-18-5-3-6-18/h7-8,16,18,22,26-27H,1-6,9-15,17H2/t22-,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School Curated by ChEMBL					Assay Description Displacement of [3H]Naltindole from human delta opioid receptor expressed in CHO cell membrane				Bioorg Med Chem Lett 18: 4474-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.054 BindingDB Entry DOI: 10.7270/Q2K07423
					More data for this Ligand-Target Pair