BDBM50009267 CHEMBL3233196

SMILES: Cc1cc(C)c(C[C@H](NC(=O)[C@H](Cc2c(C)cc(C)cc2C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(N)=O)c(C)c1

InChI Key: InChIKey=PWXLLCXDDUKGRD-ZYADHFCISA-N

Data: 2 KI  2 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 = 50009267   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50009267 (CHEMBL3233196) Show SMILES Cc1cc(C)c(C[C@H](NC(=O)[C@H](Cc2c(C)cc(C)cc2C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(N)=O)c(C)c1 |r| Show InChI InChI=1S/C40H53N5O5/c1-21-12-23(3)31(24(4)13-21)19-34(37(42)47)43-38(48)35(20-32-25(5)14-22(2)15-26(32)6)44-39(49)36-10-9-11-45(36)40(50)33(41)18-30-27(7)16-29(46)17-28(30)8/h12-17,33-36,46H,9-11,18-20,41H2,1-8H3,(H2,42,47)(H,43,48)(H,44,49)/t33-,34-,35-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50009267 (CHEMBL3233196) Show SMILES Cc1cc(C)c(C[C@H](NC(=O)[C@H](Cc2c(C)cc(C)cc2C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(N)=O)c(C)c1 |r| Show InChI InChI=1S/C40H53N5O5/c1-21-12-23(3)31(24(4)13-21)19-34(37(42)47)43-38(48)35(20-32-25(5)14-22(2)15-26(32)6)44-39(49)36-10-9-11-45(36)40(50)33(41)18-30-27(7)16-29(46)17-28(30)8/h12-17,33-36,46H,9-11,18-20,41H2,1-8H3,(H2,42,47)(H,43,48)(H,44,49)/t33-,34-,35-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin-2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membranes				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50009267 (CHEMBL3233196) Show SMILES Cc1cc(C)c(C[C@H](NC(=O)[C@H](Cc2c(C)cc(C)cc2C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(N)=O)c(C)c1 |r| Show InChI InChI=1S/C40H53N5O5/c1-21-12-23(3)31(24(4)13-21)19-34(37(42)47)43-38(48)35(20-32-25(5)14-22(2)15-26(32)6)44-39(49)36-10-9-11-45(36)40(50)33(41)18-30-27(7)16-29(46)17-28(30)8/h12-17,33-36,46H,9-11,18-20,41H2,1-8H3,(H2,42,47)(H,43,48)(H,44,49)/t33-,34-,35-,36-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in guinea pig ileum assessed as inhibition of electrically-stimulated muscle contraction				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50009267 (CHEMBL3233196) Show SMILES Cc1cc(C)c(C[C@H](NC(=O)[C@H](Cc2c(C)cc(C)cc2C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(N)=O)c(C)c1 |r| Show InChI InChI=1S/C40H53N5O5/c1-21-12-23(3)31(24(4)13-21)19-34(37(42)47)43-38(48)35(20-32-25(5)14-22(2)15-26(32)6)44-39(49)36-10-9-11-45(36)40(50)33(41)18-30-27(7)16-29(46)17-28(30)8/h12-17,33-36,46H,9-11,18-20,41H2,1-8H3,(H2,42,47)(H,43,48)(H,44,49)/t33-,34-,35-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nanjing Medical University Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction				Bioorg Med Chem 22: 2208-19 (2014) Article DOI: 10.1016/j.bmc.2014.02.015 BindingDB Entry DOI: 10.7270/Q29Z96DB
					More data for this Ligand-Target Pair