BDBM50002048 CHEMBL606739

SMILES: [H][C@]12Oc3c4c(C[C@@]5([H])N(CC)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O

InChI Key: InChIKey=YYMLAPSSCTYSTC-LZQXYRQZSA-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 = 50002048   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50002048 (CHEMBL606739) Show SMILES [H][C@]12Oc3c4c(C[C@@]5([H])N(CC)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,THB:10:9:4.5.6:15| Show InChI InChI=1S/C24H24N2O3/c1-2-26-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(26)11-13)14-5-3-4-6-16(14)25-20/h3-8,18,22,25,27-28H,2,9-12H2,1H3/t18-,22-,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS) Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor delta 1 from rat brain membranes using [3H]DADLE				J Med Chem 48: 1620-9 (2005) Checked by Author Article DOI: 10.1021/jm049117e BindingDB Entry DOI: 10.7270/Q2ZP47MP
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50002048 (CHEMBL606739) Show SMILES [H][C@]12Oc3c4c(C[C@@]5([H])N(CC)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,THB:10:9:4.5.6:15| Show InChI InChI=1S/C24H24N2O3/c1-2-26-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(26)11-13)14-5-3-4-6-16(14)25-20/h3-8,18,22,25,27-28H,2,9-12H2,1H3/t18-,22-,23+,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS) Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor mu 1 from rat brain membranes using [3H]DAMGO				J Med Chem 48: 1620-9 (2005) Checked by Author Article DOI: 10.1021/jm049117e BindingDB Entry DOI: 10.7270/Q2ZP47MP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50002048 (CHEMBL606739) Show SMILES [H][C@]12Oc3c4c(C[C@@]5([H])N(CC)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccccc12)ccc3O |r,THB:10:9:4.5.6:15| Show InChI InChI=1S/C24H24N2O3/c1-2-26-10-9-23-19-13-7-8-17(27)21(19)29-22(23)20-15(12-24(23,28)18(26)11-13)14-5-3-4-6-16(14)25-20/h3-8,18,22,25,27-28H,2,9-12H2,1H3/t18-,22-,23+,24-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine& Dentistry of New Jersey-Robert Wood Johnson Medical School (UMDNJ-RWJMS) Curated by ChEMBL					Assay Description Binding affinity against Opioid receptor kappa 1 from guinea pig brain membranes using [3H]U-69593				J Med Chem 48: 1620-9 (2005) Checked by Author Article DOI: 10.1021/jm049117e BindingDB Entry DOI: 10.7270/Q2ZP47MP
					More data for this Ligand-Target Pair