BDBM50043718 (4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-10-benzyl-7-hydroxymethyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid [(R)-1-(carbamoylmethyl-carbamoyl)-2-methyl-propyl]-amide::CHEMBL2372213

SMILES: CC(C)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CO)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=IYZWTOVPKFCKCW-CUKNGYHYSA-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 = 50043718   

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
Delta-type opioid receptor (MOUSE)	BDBM50043718 ((4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...) Show SMILES CC(C)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CO)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/C38H54N8O9S2/c1-20(2)28(34(53)41-18-27(40)49)44-36(55)30-38(5,6)57-56-37(3,4)29(45-31(50)24(39)16-22-12-14-23(48)15-13-22)35(54)42-25(17-21-10-8-7-9-11-21)32(51)43-26(19-47)33(52)46-30/h7-15,20,24-26,28-30,47-48H,16-19,39H2,1-6H3,(H2,40,49)(H,41,53)(H,42,54)(H,43,51)(H,44,55)(H,45,50)(H,46,52)/t24-,25-,26-,28-,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	91.8	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))	BDBM50043718 ((4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...) Show SMILES CC(C)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CO)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/C38H54N8O9S2/c1-20(2)28(34(53)41-18-27(40)49)44-36(55)30-38(5,6)57-56-37(3,4)29(45-31(50)24(39)16-22-12-14-23(48)15-13-22)35(54)42-25(17-21-10-8-7-9-11-21)32(51)43-26(19-47)33(52)46-30/h7-15,20,24-26,28-30,47-48H,16-19,39H2,1-6H3,(H2,40,49)(H,41,53)(H,42,54)(H,43,51)(H,44,55)(H,45,50)(H,46,52)/t24-,25-,26-,28-,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	3.30E+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)	BDBM50043718 ((4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...) Show SMILES CC(C)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CO)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/C38H54N8O9S2/c1-20(2)28(34(53)41-18-27(40)49)44-36(55)30-38(5,6)57-56-37(3,4)29(45-31(50)24(39)16-22-12-14-23(48)15-13-22)35(54)42-25(17-21-10-8-7-9-11-21)32(51)43-26(19-47)33(52)46-30/h7-15,20,24-26,28-30,47-48H,16-19,39H2,1-6H3,(H2,40,49)(H,41,53)(H,42,54)(H,43,51)(H,44,55)(H,45,50)(H,46,52)/t24-,25-,26-,28-,29-,30+/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.35E+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))	BDBM50043718 ((4R,10R,13S)-13-[(S)-2-Amino-3-(4-hydroxy-phenyl)-...) Show SMILES CC(C)[C@H](NC(=O)[C@H]1NC(=O)[C@H](CO)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/C38H54N8O9S2/c1-20(2)28(34(53)41-18-27(40)49)44-36(55)30-38(5,6)57-56-37(3,4)29(45-31(50)24(39)16-22-12-14-23(48)15-13-22)35(54)42-25(17-21-10-8-7-9-11-21)32(51)43-26(19-47)33(52)46-30/h7-15,20,24-26,28-30,47-48H,16-19,39H2,1-6H3,(H2,40,49)(H,41,53)(H,42,54)(H,43,51)(H,44,55)(H,45,50)(H,46,52)/t24-,25-,26-,28-,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	10	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