BDBM50043719 3-(2-{[(4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-10-benzyl-7-(3H-imidazol-4-ylmethyl)-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carbonyl]-amino}-hexanoylamino)-succinamic acid::CHEMBL2372214

SMILES: CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O

InChI Key: InChIKey=PWZZAHNMTFDCLS-YCISHLJPSA-N

Data: 4 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 = 50043719   

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 (GUINEA PIG)	BDBM50043719 (3-(2-{[(4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...) Show SMILES CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C44H60N10O10S2/c1-6-7-13-29(38(60)50-30(36(46)58)21-33(56)57)49-41(63)35-44(4,5)66-65-43(2,3)34(53-37(59)28(45)18-25-14-16-27(55)17-15-25)42(64)52-31(19-24-11-9-8-10-12-24)39(61)51-32(40(62)54-35)20-26-22-47-23-48-26/h8-12,14-17,22-23,28-32,34-35,55H,6-7,13,18-21,45H2,1-5H3,(H2,46,58)(H,47,48)(H,49,63)(H,50,60)(H,51,61)(H,52,64)(H,53,59)(H,54,62)(H,56,57)/t28-,29-,30-,31-,32-,34-,35+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description In vitro inhibition of electrically evoked contractions in guinea pig ileum longitudinal muscle myenteric plexus				J Med Chem 37: 141-5 (1994) BindingDB Entry DOI: 10.7270/Q2F47N7P
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50043719 (3-(2-{[(4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...) Show SMILES CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C44H60N10O10S2/c1-6-7-13-29(38(60)50-30(36(46)58)21-33(56)57)49-41(63)35-44(4,5)66-65-43(2,3)34(53-37(59)28(45)18-25-14-16-27(55)17-15-25)42(64)52-31(19-24-11-9-8-10-12-24)39(61)51-32(40(62)54-35)20-26-22-47-23-48-26/h8-12,14-17,22-23,28-32,34-35,55H,6-7,13,18-21,45H2,1-5H3,(H2,46,58)(H,47,48)(H,49,63)(H,50,60)(H,51,61)(H,52,64)(H,53,59)(H,54,62)(H,56,57)/t28-,29-,30-,31-,32-,34-,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of [3H]-[p-Cl-Phe-]DPDE binding to rat brain homogenate delta-opioid receptor				J Med Chem 37: 141-5 (1994) BindingDB Entry DOI: 10.7270/Q2F47N7P
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50043719 (3-(2-{[(4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...) Show SMILES CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C44H60N10O10S2/c1-6-7-13-29(38(60)50-30(36(46)58)21-33(56)57)49-41(63)35-44(4,5)66-65-43(2,3)34(53-37(59)28(45)18-25-14-16-27(55)17-15-25)42(64)52-31(19-24-11-9-8-10-12-24)39(61)51-32(40(62)54-35)20-26-22-47-23-48-26/h8-12,14-17,22-23,28-32,34-35,55H,6-7,13,18-21,45H2,1-5H3,(H2,46,58)(H,47,48)(H,49,63)(H,50,60)(H,51,61)(H,52,64)(H,53,59)(H,54,62)(H,56,57)/t28-,29-,30-,31-,32-,34-,35+/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	12.7	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description In vitro inhibition of electrically induced smooth muscle contractions of mouse vas deferens				J Med Chem 37: 141-5 (1994) BindingDB Entry DOI: 10.7270/Q2F47N7P
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50043719 (3-(2-{[(4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-p...) Show SMILES CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)(C)SSC1(C)C)C(=O)N[C@@H](CC(O)=O)C(N)=O Show InChI InChI=1S/C44H60N10O10S2/c1-6-7-13-29(38(60)50-30(36(46)58)21-33(56)57)49-41(63)35-44(4,5)66-65-43(2,3)34(53-37(59)28(45)18-25-14-16-27(55)17-15-25)42(64)52-31(19-24-11-9-8-10-12-24)39(61)51-32(40(62)54-35)20-26-22-47-23-48-26/h8-12,14-17,22-23,28-32,34-35,55H,6-7,13,18-21,45H2,1-5H3,(H2,46,58)(H,47,48)(H,49,63)(H,50,60)(H,51,61)(H,52,64)(H,53,59)(H,54,62)(H,56,57)/t28-,29-,30-,31-,32-,34-,35+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Inhibition of [3H]-CTOP binding to rat brain homogenate mu-opioid receptor				J Med Chem 37: 141-5 (1994) BindingDB Entry DOI: 10.7270/Q2F47N7P
					More data for this Ligand-Target Pair