BDBM50071068 CHEMBL3409758

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccccc2C1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O

InChI Key: InChIKey=LLOKGVKDYDMOAK-QPMRDEQLSA-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 = 50071068   

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))	BDBM50071068 (CHEMBL3409758) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccccc2C1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C39H43N5O5/c1-24-19-29(45)20-25(2)31(24)23-32(40)39(49)44-18-17-28-15-9-10-16-30(28)35(44)38(48)43-34(22-27-13-7-4-8-14-27)37(47)42-33(36(41)46)21-26-11-5-3-6-12-26/h3-16,19-20,32-35,45H,17-18,21-23,40H2,1-2H3,(H2,41,46)(H,42,47)(H,43,48)/t32-,33-,34-,35?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from rat cortex delta opioid receptor after 2.5 hrs by liquid scintillation counting analysis				Eur J Med Chem 92: 270-81 (2015) Article DOI: 10.1016/j.ejmech.2014.12.049 BindingDB Entry DOI: 10.7270/Q22B90RZ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50071068 (CHEMBL3409758) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccccc2C1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C39H43N5O5/c1-24-19-29(45)20-25(2)31(24)23-32(40)39(49)44-18-17-28-15-9-10-16-30(28)35(44)38(48)43-34(22-27-13-7-4-8-14-27)37(47)42-33(36(41)46)21-26-11-5-3-6-12-26/h3-16,19-20,32-35,45H,17-18,21-23,40H2,1-2H3,(H2,41,46)(H,42,47)(H,43,48)/t32-,33-,34-,35?/m0/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
Zhejiang University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from rat cortex mu opioid receptor after 30 mins by liquid scintillation counting analysis				Eur J Med Chem 92: 270-81 (2015) Article DOI: 10.1016/j.ejmech.2014.12.049 BindingDB Entry DOI: 10.7270/Q22B90RZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50071068 (CHEMBL3409758) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N1CCc2ccccc2C1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r| Show InChI InChI=1S/C39H43N5O5/c1-24-19-29(45)20-25(2)31(24)23-32(40)39(49)44-18-17-28-15-9-10-16-30(28)35(44)38(48)43-34(22-27-13-7-4-8-14-27)37(47)42-33(36(41)46)21-26-11-5-3-6-12-26/h3-16,19-20,32-35,45H,17-18,21-23,40H2,1-2H3,(H2,41,46)(H,42,47)(H,43,48)/t32-,33-,34-,35?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from guinea pig cortex/cerebella kappa opioid receptor after 2 hrs by liquid scintillation counting analysis				Eur J Med Chem 92: 270-81 (2015) Article DOI: 10.1016/j.ejmech.2014.12.049 BindingDB Entry DOI: 10.7270/Q22B90RZ
					More data for this Ligand-Target Pair