BDBM50002072 CHEMBL178829

SMILES: [H][C@@]12CC3C(C[C@@]11CCN(CC4CC4)C2Cc2ccc(OC)c(O)c12)Nc1ccccc31

InChI Key: InChIKey=OZDWUFRFWFSOQE-WMIKIJFDSA-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 = 50002072   

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))	BDBM50002072 (CHEMBL178829) Show SMILES [H][C@@]12CC3C(C[C@@]11CCN(CC4CC4)C2Cc2ccc(OC)c(O)c12)Nc1ccccc31 |TLB:10:9:1:24.16.15| Show InChI InChI=1S/C27H32N2O2/c1-31-24-9-8-17-12-23-20-13-19-18-4-2-3-5-21(18)28-22(19)14-27(20,25(17)26(24)30)10-11-29(23)15-16-6-7-16/h2-5,8-9,16,19-20,22-23,28,30H,6-7,10-15H2,1H3/t19?,20-,22?,23?,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50002072 (CHEMBL178829) Show SMILES [H][C@@]12CC3C(C[C@@]11CCN(CC4CC4)C2Cc2ccc(OC)c(O)c12)Nc1ccccc31 |TLB:10:9:1:24.16.15| Show InChI InChI=1S/C27H32N2O2/c1-31-24-9-8-17-12-23-20-13-19-18-4-2-3-5-21(18)28-22(19)14-27(20,25(17)26(24)30)10-11-29(23)15-16-6-7-16/h2-5,8-9,16,19-20,22-23,28,30H,6-7,10-15H2,1H3/t19?,20-,22?,23?,27-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94E+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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50002072 (CHEMBL178829) Show SMILES [H][C@@]12CC3C(C[C@@]11CCN(CC4CC4)C2Cc2ccc(OC)c(O)c12)Nc1ccccc31 |TLB:10:9:1:24.16.15| Show InChI InChI=1S/C27H32N2O2/c1-31-24-9-8-17-12-23-20-13-19-18-4-2-3-5-21(18)28-22(19)14-27(20,25(17)26(24)30)10-11-29(23)15-16-6-7-16/h2-5,8-9,16,19-20,22-23,28,30H,6-7,10-15H2,1H3/t19?,20-,22?,23?,27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.32E+4	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