BDBM50001705 CHEMBL343167::methyl 2-[4-cyclopropylmethyl-17-hydroxy-14-oxo-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-10-yloxymethyl]acrylate

SMILES: COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O

InChI Key: InChIKey=CLLKOUBFCBEXLC-CKZJNZIISA-N

Data: 4 IC50

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 = 50001705   

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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50001705 (CHEMBL343167 | methyl 2-[4-cyclopropylmethyl-17-hy...) Show SMILES COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C25H29NO6/c1-14(23(28)30-2)13-31-18-6-5-16-11-19-25(29)8-7-17(27)22-24(25,20(16)21(18)32-22)9-10-26(19)12-15-3-4-15/h5-6,15,19,22,29H,1,3-4,7-13H2,2H3/t19-,22+,24+,25-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of opioid receptor kappa by displacing 0.5 nM [3H]bremazocine in guinea pig brain membrane				J Med Chem 35: 4589-94 (1993) BindingDB Entry DOI: 10.7270/Q27S7PCK
					More data for this Ligand-Target Pair
Opioid receptors; mu/kappa/delta (Homo sapiens (Human))	BDBM50001705 (CHEMBL343167 | methyl 2-[4-cyclopropylmethyl-17-hy...) Show SMILES COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C25H29NO6/c1-14(23(28)30-2)13-31-18-6-5-16-11-19-25(29)8-7-17(27)22-24(25,20(16)21(18)32-22)9-10-26(19)12-15-3-4-15/h5-6,15,19,22,29H,1,3-4,7-13H2,2H3/t19-,22+,24+,25-/m1/s1	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of total opioid receptor by displacing 0.5 nM [3H]bremazocine in guinea pig brain membrane				J Med Chem 35: 4589-94 (1993) BindingDB Entry DOI: 10.7270/Q27S7PCK
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50001705 (CHEMBL343167 | methyl 2-[4-cyclopropylmethyl-17-hy...) Show SMILES COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C25H29NO6/c1-14(23(28)30-2)13-31-18-6-5-16-11-19-25(29)8-7-17(27)22-24(25,20(16)21(18)32-22)9-10-26(19)12-15-3-4-15/h5-6,15,19,22,29H,1,3-4,7-13H2,2H3/t19-,22+,24+,25-/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of opioid receptor mu by displacing 1 nM [3H]DAGO in guinea pig brain membrane				J Med Chem 35: 4589-94 (1993) BindingDB Entry DOI: 10.7270/Q27S7PCK
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50001705 (CHEMBL343167 | methyl 2-[4-cyclopropylmethyl-17-hy...) Show SMILES COC(=O)C(=C)COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O Show InChI InChI=1S/C25H29NO6/c1-14(23(28)30-2)13-31-18-6-5-16-11-19-25(29)8-7-17(27)22-24(25,20(16)21(18)32-22)9-10-26(19)12-15-3-4-15/h5-6,15,19,22,29H,1,3-4,7-13H2,2H3/t19-,22+,24+,25-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
University of Washington Curated by ChEMBL					Assay Description Inhibition of Opioid receptor delta 1 by displacing 1 nM [3H]DPDPE in guinea pig brain membrane				J Med Chem 35: 4589-94 (1993) BindingDB Entry DOI: 10.7270/Q27S7PCK
					More data for this Ligand-Target Pair