BDBM50148079 3-butoxy-17-cyclopropylmethyl-10-(3-phenylpropoxy)-(1R,9R,10S)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-one::CHEMBL109441

SMILES: CCCCOc1cccc2C[C@H]3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OCCCc3ccccc3)c12

InChI Key: InChIKey=SBGANKOPOAKMKT-PVJGKJCLSA-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 = 50148079   

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))	BDBM50148079 (3-butoxy-17-cyclopropylmethyl-10-(3-phenylpropoxy)...) Show SMILES CCCCOc1cccc2C[C@H]3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OCCCc3ccccc3)c12 |TLB:13:12:25:36.9.10| Show InChI InChI=1S/C33H43NO3/c1-2-3-20-36-29-13-7-12-27-22-30-33(37-21-8-11-25-9-5-4-6-10-25)17-16-28(35)23-32(33,31(27)29)18-19-34(30)24-26-14-15-26/h4-7,9-10,12-13,26,30H,2-3,8,11,14-24H2,1H3/t30-,32?,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.49E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity determined by displacing [3H]DAMGO from Opioid receptor mu 1 in rat brain membranes				J Med Chem 47: 3242-7 (2004) Article DOI: 10.1021/jm031126k BindingDB Entry DOI: 10.7270/Q2TD9WT4
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50148079 (3-butoxy-17-cyclopropylmethyl-10-(3-phenylpropoxy)...) Show SMILES CCCCOc1cccc2C[C@H]3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OCCCc3ccccc3)c12 |TLB:13:12:25:36.9.10| Show InChI InChI=1S/C33H43NO3/c1-2-3-20-36-29-13-7-12-27-22-30-33(37-21-8-11-25-9-5-4-6-10-25)17-16-28(35)23-32(33,31(27)29)18-19-34(30)24-26-14-15-26/h4-7,9-10,12-13,26,30H,2-3,8,11,14-24H2,1H3/t30-,32?,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity determined by displacing [3H]U69,593 from Opioid receptor kappa 1 in rat brain membranes				J Med Chem 47: 3242-7 (2004) Article DOI: 10.1021/jm031126k BindingDB Entry DOI: 10.7270/Q2TD9WT4
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50148079 (3-butoxy-17-cyclopropylmethyl-10-(3-phenylpropoxy)...) Show SMILES CCCCOc1cccc2C[C@H]3N(CC4CC4)CCC4(CC(=O)CC[C@@]34OCCCc3ccccc3)c12 |TLB:13:12:25:36.9.10| Show InChI InChI=1S/C33H43NO3/c1-2-3-20-36-29-13-7-12-27-22-30-33(37-21-8-11-25-9-5-4-6-10-25)17-16-28(35)23-32(33,31(27)29)18-19-34(30)24-26-14-15-26/h4-7,9-10,12-13,26,30H,2-3,8,11,14-24H2,1H3/t30-,32?,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.32E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Innsbruck Curated by ChEMBL					Assay Description Binding affinity determined by displacing [3H][Ile5,6]deltorphin II from opioid receptor delta 1 in rat brain membranes				J Med Chem 47: 3242-7 (2004) Article DOI: 10.1021/jm031126k BindingDB Entry DOI: 10.7270/Q2TD9WT4
					More data for this Ligand-Target Pair