BDBM50395099 CHEMBL2163531

SMILES: Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)C1CCCCC1

InChI Key: InChIKey=UBVJHEKMLKBDNQ-HJUABUFYSA-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 = 50395099   

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 (MOUSE)	BDBM50395099 (CHEMBL2163531) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)C1CCCCC1 |r| Show InChI InChI=1S/C26H34N2O4/c1-2-13-28-14-12-25-21-17-8-9-19(29)22(21)32-23(25)18(10-11-26(25,31)20(28)15-17)27-24(30)16-6-4-3-5-7-16/h2,8-9,16,18,20,23,29,31H,1,3-7,10-15H2,(H,27,30)/t18-,20-,23+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-BNtxA from mouse cloned MOR-1 expressed in CHO cell membrane after 90 mins				J Med Chem 55: 6352-62 (2012) Article DOI: 10.1021/jm300305c BindingDB Entry DOI: 10.7270/Q2930V8C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM50395099 (CHEMBL2163531) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)C1CCCCC1 |r| Show InChI InChI=1S/C26H34N2O4/c1-2-13-28-14-12-25-21-17-8-9-19(29)22(21)32-23(25)18(10-11-26(25,31)20(28)15-17)27-24(30)16-6-4-3-5-7-16/h2,8-9,16,18,20,23,29,31H,1,3-7,10-15H2,(H,27,30)/t18-,20-,23+,25+,26-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-BNtxA from mouse cloned KOR-1 expressed in CHO cell membrane after 90 mins				J Med Chem 55: 6352-62 (2012) Article DOI: 10.1021/jm300305c BindingDB Entry DOI: 10.7270/Q2930V8C
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50395099 (CHEMBL2163531) Show SMILES Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)NC(=O)C1CCCCC1 |r| Show InChI InChI=1S/C26H34N2O4/c1-2-13-28-14-12-25-21-17-8-9-19(29)22(21)32-23(25)18(10-11-26(25,31)20(28)15-17)27-24(30)16-6-4-3-5-7-16/h2,8-9,16,18,20,23,29,31H,1,3-7,10-15H2,(H,27,30)/t18-,20-,23+,25+,26-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Memorial Sloan-Kettering Cancer Center Curated by ChEMBL					Assay Description Displacement of [125I]-BNtxA from mouse cloned DOR-1 expressed in CHO cell membrane after 90 mins				J Med Chem 55: 6352-62 (2012) Article DOI: 10.1021/jm300305c BindingDB Entry DOI: 10.7270/Q2930V8C
					More data for this Ligand-Target Pair