BDBM50451124 CHEMBL2114981

SMILES: COc1c(Br)cc2C[C@H](N(Cc2c1Br)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O

InChI Key: InChIKey=VAQUOHIPGUNOLA-ROUUACIJSA-N

Data: 3 IC50  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 4 hits for monomerid = 50451124   

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
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50451124 (CHEMBL2114981) Show SMILES COc1c(Br)cc2C[C@H](N(Cc2c1Br)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O Show InChI InChI=1S/C22H24Br2N2O5/c1-10-4-13(27)5-11(2)14(10)8-17(25)21(28)26-9-15-12(7-18(26)22(29)30)6-16(23)20(31-3)19(15)24/h4-6,17-18,27H,7-9,25H2,1-3H3,(H,29,30)/t17-,18-/m0/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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Opioid receptor delta 1 by displacing 125 I-deltorphin II				Bioorg Med Chem Lett 10: 167-70 (2000) BindingDB Entry DOI: 10.7270/Q2RV0MXM
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50451124 (CHEMBL2114981) Show SMILES COc1c(Br)cc2C[C@H](N(Cc2c1Br)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O Show InChI InChI=1S/C22H24Br2N2O5/c1-10-4-13(27)5-11(2)14(10)8-17(25)21(28)26-9-15-12(7-18(26)22(29)30)6-16(23)20(31-3)19(15)24/h4-6,17-18,27H,7-9,25H2,1-3H3,(H,29,30)/t17-,18-/m0/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	n/a	n/a	28	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Effective concentration for agonistic activity towards delta opioid receptor was determined by [35S]GTP-gamma-S functional assay				Bioorg Med Chem Lett 10: 167-70 (2000) BindingDB Entry DOI: 10.7270/Q2RV0MXM
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50451124 (CHEMBL2114981) Show SMILES COc1c(Br)cc2C[C@H](N(Cc2c1Br)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O Show InChI InChI=1S/C22H24Br2N2O5/c1-10-4-13(27)5-11(2)14(10)8-17(25)21(28)26-9-15-12(7-18(26)22(29)30)6-16(23)20(31-3)19(15)24/h4-6,17-18,27H,7-9,25H2,1-3H3,(H,29,30)/t17-,18-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Opioid receptor mu 1 by displacing 125 I-FK-33824				Bioorg Med Chem Lett 10: 167-70 (2000) BindingDB Entry DOI: 10.7270/Q2RV0MXM
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50451124 (CHEMBL2114981) Show SMILES COc1c(Br)cc2C[C@H](N(Cc2c1Br)C(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(O)=O Show InChI InChI=1S/C22H24Br2N2O5/c1-10-4-13(27)5-11(2)14(10)8-17(25)21(28)26-9-15-12(7-18(26)22(29)30)6-16(23)20(31-3)19(15)24/h4-6,17-18,27H,7-9,25H2,1-3H3,(H,29,30)/t17-,18-/m0/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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards Opioid receptor kappa 1 by displacing 125 I-DPDYN				Bioorg Med Chem Lett 10: 167-70 (2000) BindingDB Entry DOI: 10.7270/Q2RV0MXM
					More data for this Ligand-Target Pair