BDBM50043715 CHEMBL284621::{(4R,7R,10S,13R)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-10-benzyl-4-[(R)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradec-7-yl}-acetic acid

SMILES: CC(C)[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=CIXRLSHQKQIGJK-JITDTWSESA-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 = 50043715   

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))	BDBM50043715 (CHEMBL284621 | {(4R,7R,10S,13R)-13-[(S)-2-Amino-3-...) Show SMILES CC(C)[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/C39H54N8O10S2/c1-20(2)29(35(55)42-19-27(41)49)45-37(57)31-39(5,6)59-58-38(3,4)30(46-32(52)24(40)16-22-12-14-23(48)15-13-22)36(56)44-25(17-21-10-8-7-9-11-21)33(53)43-26(18-28(50)51)34(54)47-31/h7-15,20,24-26,29-31,48H,16-19,40H2,1-6H3,(H2,41,49)(H,42,55)(H,43,53)(H,44,56)(H,45,57)(H,46,52)(H,47,54)(H,50,51)/t24-,25-,26+,29+,30+,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+3	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
Mu-type opioid receptor (GUINEA PIG)	BDBM50043715 (CHEMBL284621 | {(4R,7R,10S,13R)-13-[(S)-2-Amino-3-...) Show SMILES CC(C)[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/C39H54N8O10S2/c1-20(2)29(35(55)42-19-27(41)49)45-37(57)31-39(5,6)59-58-38(3,4)30(46-32(52)24(40)16-22-12-14-23(48)15-13-22)36(56)44-25(17-21-10-8-7-9-11-21)33(53)43-26(18-28(50)51)34(54)47-31/h7-15,20,24-26,29-31,48H,16-19,40H2,1-6H3,(H2,41,49)(H,42,55)(H,43,53)(H,44,56)(H,45,57)(H,46,52)(H,47,54)(H,50,51)/t24-,25-,26+,29+,30+,31+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.50E+3	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
Delta-type opioid receptor (MOUSE)	BDBM50043715 (CHEMBL284621 | {(4R,7R,10S,13R)-13-[(S)-2-Amino-3-...) Show SMILES CC(C)[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/C39H54N8O10S2/c1-20(2)29(35(55)42-19-27(41)49)45-37(57)31-39(5,6)59-58-38(3,4)30(46-32(52)24(40)16-22-12-14-23(48)15-13-22)36(56)44-25(17-21-10-8-7-9-11-21)33(53)43-26(18-28(50)51)34(54)47-31/h7-15,20,24-26,29-31,48H,16-19,40H2,1-6H3,(H2,41,49)(H,42,55)(H,43,53)(H,44,56)(H,45,57)(H,46,52)(H,47,54)(H,50,51)/t24-,25-,26+,29+,30+,31+/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	920	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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50043715 (CHEMBL284621 | {(4R,7R,10S,13R)-13-[(S)-2-Amino-3-...) Show SMILES CC(C)[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/C39H54N8O10S2/c1-20(2)29(35(55)42-19-27(41)49)45-37(57)31-39(5,6)59-58-38(3,4)30(46-32(52)24(40)16-22-12-14-23(48)15-13-22)36(56)44-25(17-21-10-8-7-9-11-21)33(53)43-26(18-28(50)51)34(54)47-31/h7-15,20,24-26,29-31,48H,16-19,40H2,1-6H3,(H2,41,49)(H,42,55)(H,43,53)(H,44,56)(H,45,57)(H,46,52)(H,47,54)(H,50,51)/t24-,25-,26+,29+,30+,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	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