BDBM50008836 CHEMBL3236673

SMILES: CC(C)c1cccc(C)c1C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCCN)C(O)=O

InChI Key: InChIKey=FWBKKQMWKRKOEQ-JVVMDBNWSA-N

Data: 3 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 5 hits for monomerid = 50008836   

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))	BDBM50008836 (CHEMBL3236673) Show SMILES CC(C)c1cccc(C)c1C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C36H56N8O6/c1-20(2)25-11-8-10-21(3)27(25)19-31(34(48)43-30(35(49)50)12-6-7-14-37)44-33(47)29(13-9-15-41-36(39)40)42-32(46)28(38)18-26-22(4)16-24(45)17-23(26)5/h8,10-11,16-17,20,28-31,45H,6-7,9,12-15,18-19,37-38H2,1-5H3,(H,42,46)(H,43,48)(H,44,47)(H,49,50)(H4,39,40,41)/t28-,29+,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.155	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 rat brain membranes after 2 hrs				Bioorg Med Chem 22: 2333-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.011 BindingDB Entry DOI: 10.7270/Q20P11JG
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50008836 (CHEMBL3236673) Show SMILES CC(C)c1cccc(C)c1C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C36H56N8O6/c1-20(2)25-11-8-10-21(3)27(25)19-31(34(48)43-30(35(49)50)12-6-7-14-37)44-33(47)29(13-9-15-41-36(39)40)42-32(46)28(38)18-26-22(4)16-24(45)17-23(26)5/h8,10-11,16-17,20,28-31,45H,6-7,9,12-15,18-19,37-38H2,1-5H3,(H,42,46)(H,43,48)(H,44,47)(H,49,50)(H4,39,40,41)/t28-,29+,30-,31-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.236	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]U-69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs				Bioorg Med Chem 22: 2333-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.011 BindingDB Entry DOI: 10.7270/Q20P11JG
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50008836 (CHEMBL3236673) Show SMILES CC(C)c1cccc(C)c1C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C36H56N8O6/c1-20(2)25-11-8-10-21(3)27(25)19-31(34(48)43-30(35(49)50)12-6-7-14-37)44-33(47)29(13-9-15-41-36(39)40)42-32(46)28(38)18-26-22(4)16-24(45)17-23(26)5/h8,10-11,16-17,20,28-31,45H,6-7,9,12-15,18-19,37-38H2,1-5H3,(H,42,46)(H,43,48)(H,44,47)(H,49,50)(H4,39,40,41)/t28-,29+,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	77	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]DSLET from delta opioid receptor in rat brain membranes after 2 hrs				Bioorg Med Chem 22: 2333-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.011 BindingDB Entry DOI: 10.7270/Q20P11JG
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50008836 (CHEMBL3236673) Show SMILES CC(C)c1cccc(C)c1C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C36H56N8O6/c1-20(2)25-11-8-10-21(3)27(25)19-31(34(48)43-30(35(49)50)12-6-7-14-37)44-33(47)29(13-9-15-41-36(39)40)42-32(46)28(38)18-26-22(4)16-24(45)17-23(26)5/h8,10-11,16-17,20,28-31,45H,6-7,9,12-15,18-19,37-38H2,1-5H3,(H,42,46)(H,43,48)(H,44,47)(H,49,50)(H4,39,40,41)/t28-,29+,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	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: 2333-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.011 BindingDB Entry DOI: 10.7270/Q20P11JG
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50008836 (CHEMBL3236673) Show SMILES CC(C)c1cccc(C)c1C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(=O)N[C@@H](CCCCN)C(O)=O |r| Show InChI InChI=1S/C36H56N8O6/c1-20(2)25-11-8-10-21(3)27(25)19-31(34(48)43-30(35(49)50)12-6-7-14-37)44-33(47)29(13-9-15-41-36(39)40)42-32(46)28(38)18-26-22(4)16-24(45)17-23(26)5/h8,10-11,16-17,20,28-31,45H,6-7,9,12-15,18-19,37-38H2,1-5H3,(H,42,46)(H,43,48)(H,44,47)(H,49,50)(H4,39,40,41)/t28-,29+,30-,31-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.828	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: 2333-8 (2014) Article DOI: 10.1016/j.bmc.2014.02.011 BindingDB Entry DOI: 10.7270/Q20P11JG
					More data for this Ligand-Target Pair