BDBM50043716 CHEMBL2372212::{(4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-10-benzyl-4-[1-(carbamoylmethyl-carbamoyl)-pentylcarbamoyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradec-7-yl}-acetic acid

SMILES: CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](CC(O)=O)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)NCC(N)=O

InChI Key: InChIKey=FSUPVCRTIDVFRM-SGBLTFEXSA-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 = 50043716   

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)	BDBM50043716 (CHEMBL2372212 | {(4R,10R,13S)-13-[(S)-2-Amino-3-(4...) Show SMILES CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](CC(O)=O)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)NCC(N)=O Show InChI InChI=1S/C40H56N8O10S2/c1-6-7-13-26(34(54)43-21-29(42)50)44-37(57)32-40(4,5)60-59-39(2,3)31(47-33(53)25(41)18-23-14-16-24(49)17-15-23)38(58)46-27(19-22-11-9-8-10-12-22)35(55)45-28(20-30(51)52)36(56)48-32/h8-12,14-17,25-28,31-32,49H,6-7,13,18-21,41H2,1-5H3,(H2,42,50)(H,43,54)(H,44,57)(H,45,55)(H,46,58)(H,47,53)(H,48,56)(H,51,52)/t25-,26-,27-,28-,31-,32+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.37E+5	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))	BDBM50043716 (CHEMBL2372212 | {(4R,10R,13S)-13-[(S)-2-Amino-3-(4...) Show SMILES CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](CC(O)=O)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)NCC(N)=O Show InChI InChI=1S/C40H56N8O10S2/c1-6-7-13-26(34(54)43-21-29(42)50)44-37(57)32-40(4,5)60-59-39(2,3)31(47-33(53)25(41)18-23-14-16-24(49)17-15-23)38(58)46-27(19-22-11-9-8-10-12-22)35(55)45-28(20-30(51)52)36(56)48-32/h8-12,14-17,25-28,31-32,49H,6-7,13,18-21,41H2,1-5H3,(H2,42,50)(H,43,54)(H,44,57)(H,45,55)(H,46,58)(H,47,53)(H,48,56)(H,51,52)/t25-,26-,27-,28-,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.83	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)	BDBM50043716 (CHEMBL2372212 | {(4R,10R,13S)-13-[(S)-2-Amino-3-(4...) Show SMILES CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](CC(O)=O)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)NCC(N)=O Show InChI InChI=1S/C40H56N8O10S2/c1-6-7-13-26(34(54)43-21-29(42)50)44-37(57)32-40(4,5)60-59-39(2,3)31(47-33(53)25(41)18-23-14-16-24(49)17-15-23)38(58)46-27(19-22-11-9-8-10-12-22)35(55)45-28(20-30(51)52)36(56)48-32/h8-12,14-17,25-28,31-32,49H,6-7,13,18-21,41H2,1-5H3,(H2,42,50)(H,43,54)(H,44,57)(H,45,55)(H,46,58)(H,47,53)(H,48,56)(H,51,52)/t25-,26-,27-,28-,31-,32+/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	8.80	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))	BDBM50043716 (CHEMBL2372212 | {(4R,10R,13S)-13-[(S)-2-Amino-3-(4...) Show SMILES CCCC[C@H](NC(=O)[C@H]1NC(=O)[C@H](CC(O)=O)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)NCC(N)=O Show InChI InChI=1S/C40H56N8O10S2/c1-6-7-13-26(34(54)43-21-29(42)50)44-37(57)32-40(4,5)60-59-39(2,3)31(47-33(53)25(41)18-23-14-16-24(49)17-15-23)38(58)46-27(19-22-11-9-8-10-12-22)35(55)45-28(20-30(51)52)36(56)48-32/h8-12,14-17,25-28,31-32,49H,6-7,13,18-21,41H2,1-5H3,(H2,42,50)(H,43,54)(H,44,57)(H,45,55)(H,46,58)(H,47,53)(H,48,56)(H,51,52)/t25-,26-,27-,28-,31-,32+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.46E+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