BDBM50002128 CHEMBL611132

SMILES: [H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(OC(=O)c4ccccc4)cc12)ccc3O

InChI Key: InChIKey=BYORKABZAJJLNM-TZKLVDRNSA-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 = 50002128   

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))	BDBM50002128 (CHEMBL611132) Show SMILES [H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(OC(=O)c4ccccc4)cc12)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C33H30N2O5/c36-25-11-8-20-14-26-33(38)16-23-22-15-21(39-31(37)19-4-2-1-3-5-19)9-10-24(22)34-28(23)30-32(33,27(20)29(25)40-30)12-13-35(26)17-18-6-7-18/h1-5,8-11,15,18,26,30,34,36,38H,6-7,12-14,16-17H2/t26-,30-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40	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))	BDBM50002128 (CHEMBL611132) Show SMILES [H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(OC(=O)c4ccccc4)cc12)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C33H30N2O5/c36-25-11-8-20-14-26-33(38)16-23-22-15-21(39-31(37)19-4-2-1-3-5-19)9-10-24(22)34-28(23)30-32(33,27(20)29(25)40-30)12-13-35(26)17-18-6-7-18/h1-5,8-11,15,18,26,30,34,36,38H,6-7,12-14,16-17H2/t26-,30-,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	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))	BDBM50002128 (CHEMBL611132) Show SMILES [H][C@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)Cc1c2[nH]c2ccc(OC(=O)c4ccccc4)cc12)ccc3O |r,THB:10:9:17:4.5.6| Show InChI InChI=1S/C33H30N2O5/c36-25-11-8-20-14-26-33(38)16-23-22-15-21(39-31(37)19-4-2-1-3-5-19)9-10-24(22)34-28(23)30-32(33,27(20)29(25)40-30)12-13-35(26)17-18-6-7-18/h1-5,8-11,15,18,26,30,34,36,38H,6-7,12-14,16-17H2/t26-,30-,32+,33-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	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