BDBM50000802 13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-benzyl-3,3,14,14-tetramethyl-6,9,12-trioxo-1,2-dithia-5,8,11-triaza-cyclotetradecane-4-carboxylic acid::CHEMBL76086

SMILES: C[C@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1

InChI Key: InChIKey=ABAHQIMHTWGRPU-FNKBIRPFSA-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 = 50000802   

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))	BDBM50000802 (13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...) Show SMILES C[C@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1 Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21-,23-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Compound was evaluated for its ability to displace [3H]- CTOP (mu opioid receptor selective ligand)				J Med Chem 35: 2384-91 (1992) BindingDB Entry DOI: 10.7270/Q2DF6Q4K
					More data for this Ligand-Target Pair
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50000802 (13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...) Show SMILES C[C@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1 Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21-,23-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Compound was evaluated for the binding affinity in comparison with [3H]-[p-Cl-Phe4]-DPDPE (delta opioid receptor selective ligand)				J Med Chem 35: 2384-91 (1992) BindingDB Entry DOI: 10.7270/Q2DF6Q4K
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50000802 (13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...) Show SMILES C[C@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1 Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21-,23-,24-,25-/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	243	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Compound was evaluated for the percentage of maximum inhibition at Opioid receptor delta 1				J Med Chem 35: 2384-91 (1992) BindingDB Entry DOI: 10.7270/Q2DF6Q4K
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50000802 (13-[2-Amino-3-(4-hydroxy-phenyl)-butyrylamino]-7-b...) Show SMILES C[C@H]([C@H](N)C(=O)N[C@H]1C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(O)=O)C(C)(C)SSC1(C)C)c1ccc(O)cc1 Show InChI InChI=1S/C31H41N5O7S2/c1-17(19-11-13-20(37)14-12-19)23(32)27(40)35-24-28(41)33-16-22(38)34-21(15-18-9-7-6-8-10-18)26(39)36-25(29(42)43)31(4,5)45-44-30(24,2)3/h6-14,17,21,23-25,37H,15-16,32H2,1-5H3,(H,33,41)(H,34,38)(H,35,40)(H,36,39)(H,42,43)/t17-,21-,23-,24-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Arizona Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory potency against Opioid receptor delta 1 of Guinea pig ileum				J Med Chem 35: 2384-91 (1992) BindingDB Entry DOI: 10.7270/Q2DF6Q4K
					More data for this Ligand-Target Pair