BDBM50272329 2-{[(1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-trien-4-yl]oxy}acetamide hydrochloride::CHEMBL497108

SMILES: NC(=O)COc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1

InChI Key: InChIKey=KRZFDBFJUUOCIA-AKIFATBCSA-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 = 50272329   

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))	BDBM50272329 (2-{[(1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-1...) Show SMILES NC(=O)COc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:12:11:8.26.9:24| Show InChI InChI=1S/C23H32N2O3/c24-21(26)15-28-18-7-6-17-12-20-23(27)9-2-1-8-22(23,19(17)13-18)10-11-25(20)14-16-4-3-5-16/h6-7,13,16,20,27H,1-5,8-12,14-15H2,(H2,24,26)/t20-,22+,23-/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	55	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50272329 (2-{[(1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-1...) Show SMILES NC(=O)COc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:12:11:8.26.9:24| Show InChI InChI=1S/C23H32N2O3/c24-21(26)15-28-18-7-6-17-12-20-23(27)9-2-1-8-22(23,19(17)13-18)10-11-25(20)14-16-4-3-5-16/h6-7,13,16,20,27H,1-5,8-12,14-15H2,(H2,24,26)/t20-,22+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67	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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50272329 (2-{[(1S,9R,10S)-17-(cyclobutylmethyl)-10-hydroxy-1...) Show SMILES NC(=O)COc1ccc2C[C@H]3N(CC4CCC4)CC[C@@]4(CCCC[C@@]34O)c2c1 |r,TLB:12:11:8.26.9:24| Show InChI InChI=1S/C23H32N2O3/c24-21(26)15-28-18-7-6-17-12-20-23(27)9-2-1-8-22(23,19(17)13-18)10-11-25(20)14-16-4-3-5-16/h6-7,13,16,20,27H,1-5,8-12,14-15H2,(H2,24,26)/t20-,22+,23-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	760	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