BDBM50008835 CHEMBL3236672

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

InChI Key: InChIKey=HKAQHNOFQGGZDF-XJYHXZFBSA-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 = 50008835   

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))	BDBM50008835 (CHEMBL3236672) Show SMILES Cc1cc(C)c(C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCCN)C(O)=O)c(C)c1 |r| Show InChI InChI=1S/C35H54N8O6/c1-19-13-20(2)26(21(3)14-19)18-30(33(47)42-29(34(48)49)9-6-7-11-36)43-32(46)28(10-8-12-40-35(38)39)41-31(45)27(37)17-25-22(4)15-24(44)16-23(25)5/h13-16,27-30,44H,6-12,17-18,36-37H2,1-5H3,(H,41,45)(H,42,47)(H,43,46)(H,48,49)(H4,38,39,40)/t27-,28+,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	0.158	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))	BDBM50008835 (CHEMBL3236672) Show SMILES Cc1cc(C)c(C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCCN)C(O)=O)c(C)c1 |r| Show InChI InChI=1S/C35H54N8O6/c1-19-13-20(2)26(21(3)14-19)18-30(33(47)42-29(34(48)49)9-6-7-11-36)43-32(46)28(10-8-12-40-35(38)39)41-31(45)27(37)17-25-22(4)15-24(44)16-23(25)5/h13-16,27-30,44H,6-12,17-18,36-37H2,1-5H3,(H,41,45)(H,42,47)(H,43,46)(H,48,49)(H4,38,39,40)/t27-,28+,29-,30-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	48	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))	BDBM50008835 (CHEMBL3236672) Show SMILES Cc1cc(C)c(C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCCN)C(O)=O)c(C)c1 |r| Show InChI InChI=1S/C35H54N8O6/c1-19-13-20(2)26(21(3)14-19)18-30(33(47)42-29(34(48)49)9-6-7-11-36)43-32(46)28(10-8-12-40-35(38)39)41-31(45)27(37)17-25-22(4)15-24(44)16-23(25)5/h13-16,27-30,44H,6-12,17-18,36-37H2,1-5H3,(H,41,45)(H,42,47)(H,43,46)(H,48,49)(H4,38,39,40)/t27-,28+,29-,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	329	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)	BDBM50008835 (CHEMBL3236672) Show SMILES Cc1cc(C)c(C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCCN)C(O)=O)c(C)c1 |r| Show InChI InChI=1S/C35H54N8O6/c1-19-13-20(2)26(21(3)14-19)18-30(33(47)42-29(34(48)49)9-6-7-11-36)43-32(46)28(10-8-12-40-35(38)39)41-31(45)27(37)17-25-22(4)15-24(44)16-23(25)5/h13-16,27-30,44H,6-12,17-18,36-37H2,1-5H3,(H,41,45)(H,42,47)(H,43,46)(H,48,49)(H4,38,39,40)/t27-,28+,29-,30-/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	19	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)	BDBM50008835 (CHEMBL3236672) Show SMILES Cc1cc(C)c(C[C@H](NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)C(=O)N[C@@H](CCCCN)C(O)=O)c(C)c1 |r| Show InChI InChI=1S/C35H54N8O6/c1-19-13-20(2)26(21(3)14-19)18-30(33(47)42-29(34(48)49)9-6-7-11-36)43-32(46)28(10-8-12-40-35(38)39)41-31(45)27(37)17-25-22(4)15-24(44)16-23(25)5/h13-16,27-30,44H,6-12,17-18,36-37H2,1-5H3,(H,41,45)(H,42,47)(H,43,46)(H,48,49)(H4,38,39,40)/t27-,28+,29-,30-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	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