BDBM50043712 CHEMBL286629::{(4S,7R,10S,13R)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-10-benzyl-4-[(R)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propylcarbamoyl]-3,3-dimethyl-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](CSSC1(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O

InChI Key: InChIKey=DIXNNWRHERAZLO-XYHHVMNMSA-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 = 50043712   

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))	BDBM50043712 (CHEMBL286629 | {(4S,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](CSSC1(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O Show InChI InChI=1S/C37H50N8O10S2/c1-19(2)29(35(54)40-17-27(39)47)44-36(55)30-37(3,4)57-56-18-26(43-31(50)23(38)14-21-10-12-22(46)13-11-21)34(53)41-24(15-20-8-6-5-7-9-20)32(51)42-25(16-28(48)49)33(52)45-30/h5-13,19,23-26,29-30,46H,14-18,38H2,1-4H3,(H2,39,47)(H,40,54)(H,41,53)(H,42,51)(H,43,50)(H,44,55)(H,45,52)(H,48,49)/t23-,24-,25+,26-,29+,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.76E+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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50043712 (CHEMBL286629 | {(4S,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](CSSC1(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O Show InChI InChI=1S/C37H50N8O10S2/c1-19(2)29(35(54)40-17-27(39)47)44-36(55)30-37(3,4)57-56-18-26(43-31(50)23(38)14-21-10-12-22(46)13-11-21)34(53)41-24(15-20-8-6-5-7-9-20)32(51)42-25(16-28(48)49)33(52)45-30/h5-13,19,23-26,29-30,46H,14-18,38H2,1-4H3,(H2,39,47)(H,40,54)(H,41,53)(H,42,51)(H,43,50)(H,44,55)(H,45,52)(H,48,49)/t23-,24-,25+,26-,29+,30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20	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)	BDBM50043712 (CHEMBL286629 | {(4S,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](CSSC1(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O Show InChI InChI=1S/C37H50N8O10S2/c1-19(2)29(35(54)40-17-27(39)47)44-36(55)30-37(3,4)57-56-18-26(43-31(50)23(38)14-21-10-12-22(46)13-11-21)34(53)41-24(15-20-8-6-5-7-9-20)32(51)42-25(16-28(48)49)33(52)45-30/h5-13,19,23-26,29-30,46H,14-18,38H2,1-4H3,(H2,39,47)(H,40,54)(H,41,53)(H,42,51)(H,43,50)(H,44,55)(H,45,52)(H,48,49)/t23-,24-,25+,26-,29+,30-/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	0.25	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 (GUINEA PIG)	BDBM50043712 (CHEMBL286629 | {(4S,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](CSSC1(C)C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)NCC(N)=O Show InChI InChI=1S/C37H50N8O10S2/c1-19(2)29(35(54)40-17-27(39)47)44-36(55)30-37(3,4)57-56-18-26(43-31(50)23(38)14-21-10-12-22(46)13-11-21)34(53)41-24(15-20-8-6-5-7-9-20)32(51)42-25(16-28(48)49)33(52)45-30/h5-13,19,23-26,29-30,46H,14-18,38H2,1-4H3,(H2,39,47)(H,40,54)(H,41,53)(H,42,51)(H,43,50)(H,44,55)(H,45,52)(H,48,49)/t23-,24-,25+,26-,29+,30-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+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