BDBM50401035 CHEMBL2206325

SMILES: CCCCCCNC(=O)c1ccc(C[C@H](N)C(=O)N2Cc3ccccc3CC2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(O)=O)cc1

InChI Key: InChIKey=WVNSYHVZQAASSJ-GLHCAIBUSA-N

Data: 3 KI  1 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 = 50401035   

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 (Rattus norvegicus (rat))	BDBM50401035 (CHEMBL2206325) Show SMILES CCCCCCNC(=O)c1ccc(C[C@H](N)C(=O)N2Cc3ccccc3CC2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C44H51N5O6/c1-2-3-4-13-24-46-40(50)33-22-20-32(21-23-33)25-36(45)43(53)49-29-35-19-12-11-18-34(35)28-39(49)42(52)47-37(26-30-14-7-5-8-15-30)41(51)48-38(44(54)55)27-31-16-9-6-10-17-31/h5-12,14-23,36-39H,2-4,13,24-29,45H2,1H3,(H,46,50)(H,47,52)(H,48,51)(H,54,55)/t36-,37-,38-,39?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.369	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]DSLET from delta opioid receptor in rat brain membrane after 2 hrs				Bioorg Med Chem Lett 22: 1899-902 (2012) Article DOI: 10.1016/j.bmcl.2012.01.063 BindingDB Entry DOI: 10.7270/Q22N53D9
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50401035 (CHEMBL2206325) Show SMILES CCCCCCNC(=O)c1ccc(C[C@H](N)C(=O)N2Cc3ccccc3CC2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C44H51N5O6/c1-2-3-4-13-24-46-40(50)33-22-20-32(21-23-33)25-36(45)43(53)49-29-35-19-12-11-18-34(35)28-39(49)42(52)47-37(26-30-14-7-5-8-15-30)41(51)48-38(44(54)55)27-31-16-9-6-10-17-31/h5-12,14-23,36-39H,2-4,13,24-29,45H2,1H3,(H,46,50)(H,47,52)(H,48,51)(H,54,55)/t36-,37-,38-,39?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	507	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain membrane after 2 hrs				Bioorg Med Chem Lett 22: 1899-902 (2012) Article DOI: 10.1016/j.bmcl.2012.01.063 BindingDB Entry DOI: 10.7270/Q22N53D9
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50401035 (CHEMBL2206325) Show SMILES CCCCCCNC(=O)c1ccc(C[C@H](N)C(=O)N2Cc3ccccc3CC2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C44H51N5O6/c1-2-3-4-13-24-46-40(50)33-22-20-32(21-23-33)25-36(45)43(53)49-29-35-19-12-11-18-34(35)28-39(49)42(52)47-37(26-30-14-7-5-8-15-30)41(51)48-38(44(54)55)27-31-16-9-6-10-17-31/h5-12,14-23,36-39H,2-4,13,24-29,45H2,1H3,(H,46,50)(H,47,52)(H,48,51)(H,54,55)/t36-,37-,38-,39?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig brain membrane after 2 hrs				Bioorg Med Chem Lett 22: 1899-902 (2012) Article DOI: 10.1016/j.bmcl.2012.01.063 BindingDB Entry DOI: 10.7270/Q22N53D9
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50401035 (CHEMBL2206325) Show SMILES CCCCCCNC(=O)c1ccc(C[C@H](N)C(=O)N2Cc3ccccc3CC2C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C44H51N5O6/c1-2-3-4-13-24-46-40(50)33-22-20-32(21-23-33)25-36(45)43(53)49-29-35-19-12-11-18-34(35)28-39(49)42(52)47-37(26-30-14-7-5-8-15-30)41(51)48-38(44(54)55)27-31-16-9-6-10-17-31/h5-12,14-23,36-39H,2-4,13,24-29,45H2,1H3,(H,46,50)(H,47,52)(H,48,51)(H,54,55)/t36-,37-,38-,39?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.392	n/a	n/a	n/a	n/a	n/a	n/a
Clinical Research Institute of Montreal Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens				Bioorg Med Chem Lett 22: 1899-902 (2012) Article DOI: 10.1016/j.bmcl.2012.01.063 BindingDB Entry DOI: 10.7270/Q22N53D9
					More data for this Ligand-Target Pair