BDBM50248856 (1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10-hydroxy-14-[(2E)-3-phenylprop-2-enamido]-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-17-yl benzoate::CHEMBL468871

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

InChI Key: InChIKey=QILFFGRYZJLTKE-WVHDXOAOSA-N

Data: 2 KI  1 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 3 hits for monomerid = 50248856   

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))	BDBM50248856 ((1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10-hydro...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OC(=O)c1ccccc1)NC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C36H36N2O5/c39-28-15-14-26-21-29-36(43-34(41)25-9-5-2-6-10-25)18-17-27(37-30(40)16-13-23-7-3-1-4-8-23)33-35(36,31(26)32(28)42-33)19-20-38(29)22-24-11-12-24/h1-10,13-16,24,27,29,33,39H,11-12,17-22H2,(H,37,40)/b16-13+/t27-,29-,33+,35+,36-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.420	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))	BDBM50248856 ((1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10-hydro...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OC(=O)c1ccccc1)NC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C36H36N2O5/c39-28-15-14-26-21-29-36(43-34(41)25-9-5-2-6-10-25)18-17-27(37-30(40)16-13-23-7-3-1-4-8-23)33-35(36,31(26)32(28)42-33)19-20-38(29)22-24-11-12-24/h1-10,13-16,24,27,29,33,39H,11-12,17-22H2,(H,37,40)/b16-13+/t27-,29-,33+,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	1.10	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))	BDBM50248856 ((1S,5R,13R,14R,17S)-4-(cyclopropylmethyl)-10-hydro...) Show SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35OC(=O)c1ccccc1)NC(=O)\C=C\c1ccccc1 |r| Show InChI InChI=1S/C36H36N2O5/c39-28-15-14-26-21-29-36(43-34(41)25-9-5-2-6-10-25)18-17-27(37-30(40)16-13-23-7-3-1-4-8-23)33-35(36,31(26)32(28)42-33)19-20-38(29)22-24-11-12-24/h1-10,13-16,24,27,29,33,39H,11-12,17-22H2,(H,37,40)/b16-13+/t27-,29-,33+,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	9.80	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