BDBM50185754 CHEMBL3822676

SMILES: CCc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O

InChI Key: InChIKey=XMQDSJQOQLDSQQ-BPXGVECKSA-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 = 50185754   

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))	BDBM50185754 (CHEMBL3822676) Show SMILES CCc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C33H51N9O5/c1-3-22-18-23(43)16-20(2)24(22)19-25(35)30(45)41-27(13-9-15-39-33(37)38)31(46)42-28(17-21-10-5-4-6-11-21)32(47)40-26(29(36)44)12-7-8-14-34/h4-6,10-11,16,18,25-28,43H,3,7-9,12-15,17,19,34-35H2,1-2H3,(H2,36,44)(H,40,47)(H,41,45)(H,42,46)(H4,37,38,39)/t25-,26-,27+,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.367	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-type opioid receptor in rat brain membranes incubated for 2 hrs				Bioorg Med Chem Lett 26: 3629-31 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1NVQ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50185754 (CHEMBL3822676) Show SMILES CCc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C33H51N9O5/c1-3-22-18-23(43)16-20(2)24(22)19-25(35)30(45)41-27(13-9-15-39-33(37)38)31(46)42-28(17-21-10-5-4-6-11-21)32(47)40-26(29(36)44)12-7-8-14-34/h4-6,10-11,16,18,25-28,43H,3,7-9,12-15,17,19,34-35H2,1-2H3,(H2,36,44)(H,40,47)(H,41,45)(H,42,46)(H4,37,38,39)/t25-,26-,27+,28-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	58	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]U69,593 from kappa-type opioid receptor in guniea pig brain membranes incubated for 2 hrs				Bioorg Med Chem Lett 26: 3629-31 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1NVQ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50185754 (CHEMBL3822676) Show SMILES CCc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C33H51N9O5/c1-3-22-18-23(43)16-20(2)24(22)19-25(35)30(45)41-27(13-9-15-39-33(37)38)31(46)42-28(17-21-10-5-4-6-11-21)32(47)40-26(29(36)44)12-7-8-14-34/h4-6,10-11,16,18,25-28,43H,3,7-9,12-15,17,19,34-35H2,1-2H3,(H2,36,44)(H,40,47)(H,41,45)(H,42,46)(H4,37,38,39)/t25-,26-,27+,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	573	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-type opioid receptor in rat brain membranes incubated for 2 hrs				Bioorg Med Chem Lett 26: 3629-31 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1NVQ
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50185754 (CHEMBL3822676) Show SMILES CCc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C33H51N9O5/c1-3-22-18-23(43)16-20(2)24(22)19-25(35)30(45)41-27(13-9-15-39-33(37)38)31(46)42-28(17-21-10-5-4-6-11-21)32(47)40-26(29(36)44)12-7-8-14-34/h4-6,10-11,16,18,25-28,43H,3,7-9,12-15,17,19,34-35H2,1-2H3,(H2,36,44)(H,40,47)(H,41,45)(H,42,46)(H4,37,38,39)/t25-,26-,27+,28-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	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 Lett 26: 3629-31 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1NVQ
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50185754 (CHEMBL3822676) Show SMILES CCc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C33H51N9O5/c1-3-22-18-23(43)16-20(2)24(22)19-25(35)30(45)41-27(13-9-15-39-33(37)38)31(46)42-28(17-21-10-5-4-6-11-21)32(47)40-26(29(36)44)12-7-8-14-34/h4-6,10-11,16,18,25-28,43H,3,7-9,12-15,17,19,34-35H2,1-2H3,(H2,36,44)(H,40,47)(H,41,45)(H,42,46)(H4,37,38,39)/t25-,26-,27+,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	137	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 albino mouse vas deferens assessed as inhibition of electrically-stimulated muscle contraction				Bioorg Med Chem Lett 26: 3629-31 (2016) BindingDB Entry DOI: 10.7270/Q2ZW1NVQ
					More data for this Ligand-Target Pair