BDBM50248827 (2E)-N-[(1S,5R,13R,14R,17S)-17-(benzyloxy)-4-(cyclopropylmethyl)-10-hydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-yl]-3-phenylprop-2-enamide::CHEMBL509552

SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OCc1ccccc1)NC(=O)\C=C\c1ccccc1

InChI Key: InChIKey=NBNXLAMYDYEUPQ-ZUXJCJRPSA-N

Data: 2 KI  2 EC50

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 4 hits for monomerid = 50248827   

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))	BDBM50248827 ((2E)-N-[(1S,5R,13R,14R,17S)-17-(benzyloxy)-4-(cycl...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OCc1ccccc1)NC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C36H38N2O4/c39-29-15-14-27-21-30-36(41-23-26-9-5-2-6-10-26)18-17-28(37-31(40)16-13-24-7-3-1-4-8-24)34-35(36,32(27)33(29)42-34)19-20-38(30)22-25-11-12-25/h1-10,13-16,25,28,30,34,39H,11-12,17-23H2,(H,37,40)/b16-13+/t28-,30-,34+,35+,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membrane by liquid scintillation and luminescence counter				J Med Chem 52: 1546-52 (2009) Article DOI: 10.1021/jm8015552 BindingDB Entry DOI: 10.7270/Q2513Z24
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50248827 ((2E)-N-[(1S,5R,13R,14R,17S)-17-(benzyloxy)-4-(cycl...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OCc1ccccc1)NC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C36H38N2O4/c39-29-15-14-27-21-30-36(41-23-26-9-5-2-6-10-26)18-17-28(37-31(40)16-13-24-7-3-1-4-8-24)34-35(36,32(27)33(29)42-34)19-20-38(30)22-25-11-12-25/h1-10,13-16,25,28,30,34,39H,11-12,17-23H2,(H,37,40)/b16-13+/t28-,30-,34+,35+,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.860	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane by liquid scintillation and luminescence counter				J Med Chem 52: 1546-52 (2009) Article DOI: 10.1021/jm8015552 BindingDB Entry DOI: 10.7270/Q2513Z24
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50248827 ((2E)-N-[(1S,5R,13R,14R,17S)-17-(benzyloxy)-4-(cycl...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OCc1ccccc1)NC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C36H38N2O4/c39-29-15-14-27-21-30-36(41-23-26-9-5-2-6-10-26)18-17-28(37-31(40)16-13-24-7-3-1-4-8-24)34-35(36,32(27)33(29)42-34)19-20-38(30)22-25-11-12-25/h1-10,13-16,25,28,30,34,39H,11-12,17-23H2,(H,37,40)/b16-13+/t28-,30-,34+,35+,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.780	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cell membrane assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 52: 1546-52 (2009) Article DOI: 10.1021/jm8015552 BindingDB Entry DOI: 10.7270/Q2513Z24
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50248827 ((2E)-N-[(1S,5R,13R,14R,17S)-17-(benzyloxy)-4-(cycl...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OCc1ccccc1)NC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C36H38N2O4/c39-29-15-14-27-21-30-36(41-23-26-9-5-2-6-10-26)18-17-28(37-31(40)16-13-24-7-3-1-4-8-24)34-35(36,32(27)33(29)42-34)19-20-38(30)22-25-11-12-25/h1-10,13-16,25,28,30,34,39H,11-12,17-23H2,(H,37,40)/b16-13+/t28-,30-,34+,35+,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Agonist activity at rat mu opioid receptor expressed in rat C6 cell membrane assessed as stimulation of [35S]GTPgammaS binding				J Med Chem 52: 1546-52 (2009) Article DOI: 10.1021/jm8015552 BindingDB Entry DOI: 10.7270/Q2513Z24
					More data for this Ligand-Target Pair