BDBM50336599 CHEMBL1672091::tert-butyl 2-{[(1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10-hydroxy-17-(3-phenylpropoxy)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-yl]amino}acetate

SMILES: CC(C)(C)OC(=O)CN[C@@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45

InChI Key: InChIKey=ITGCFKQZXLLSPY-YVIDWFBLSA-N

Data: 2 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 2 hits for monomerid = 50336599   

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 (Rattus norvegicus (rat))	BDBM50336599 (CHEMBL1672091 | tert-butyl 2-{[(1S,5R,13R,14R,17S)...) Show SMILES CC(C)(C)OC(=O)CN[C@@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C35H46N2O5/c1-33(2,3)42-29(39)21-36-26-15-16-35(40-19-7-10-23-8-5-4-6-9-23)28-20-25-13-14-27(38)31-30(25)34(35,32(26)41-31)17-18-37(28)22-24-11-12-24/h4-6,8-9,13-14,24,26,28,32,36,38H,7,10-12,15-22H2,1-3H3/t26-,28-,32+,34+,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting				J Med Chem 54: 980-8 (2011) Article DOI: 10.1021/jm101211p BindingDB Entry DOI: 10.7270/Q2MP53KV
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50336599 (CHEMBL1672091 | tert-butyl 2-{[(1S,5R,13R,14R,17S)...) Show SMILES CC(C)(C)OC(=O)CN[C@@H]1CC[C@@]2(OCCCc3ccccc3)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45 |r| Show InChI InChI=1S/C35H46N2O5/c1-33(2,3)42-29(39)21-36-26-15-16-35(40-19-7-10-23-8-5-4-6-9-23)28-20-25-13-14-27(38)31-30(25)34(35,32(26)41-31)17-18-37(28)22-24-11-12-24/h4-6,8-9,13-14,24,26,28,32,36,38H,7,10-12,15-22H2,1-3H3/t26-,28-,32+,34+,35-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Displacement of [3H][Ile5,6]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain membrane by liquid scintillation counting				J Med Chem 54: 980-8 (2011) Article DOI: 10.1021/jm101211p BindingDB Entry DOI: 10.7270/Q2MP53KV
					More data for this Ligand-Target Pair