BDBM50300357 (S)-2-((S)-1-((2S,8S,11R)-11-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-8-benzyl-17-bromo-15-(2-bromoacetyl)-2-(4-hydroxybenzyl)-4,7,10,16-tetraoxo-3,6,9,15-tetraazaheptadecane)pyrrolidine-2-carboxamido)-3-hydroxypropanoic acid::CHEMBL574142

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCN(C(=O)CBr)C(=O)CBr)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O

InChI Key: InChIKey=ZBQSOPFHVNYWMQ-PQVJJDQFSA-N

Data: 2 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 2 hits for monomerid = 50300357   

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 (Homo sapiens (Human))	BDBM50300357 ((S)-2-((S)-1-((2S,8S,11R)-11-((S)-2-amino-3-(4-hyd...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCN(C(=O)CBr)C(=O)CBr)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C46H56Br2N8O13/c47-23-39(61)56(40(62)24-48)19-4-8-33(52-41(63)32(49)20-28-10-14-30(58)15-11-28)43(65)53-34(21-27-6-2-1-3-7-27)42(64)50-25-38(60)51-35(22-29-12-16-31(59)17-13-29)45(67)55-18-5-9-37(55)44(66)54-36(26-57)46(68)69/h1-3,6-7,10-17,32-37,57-59H,4-5,8-9,18-26,49H2,(H,50,64)(H,51,60)(H,52,63)(H,53,65)(H,54,66)(H,68,69)/t32-,33+,34-,35-,36-,37-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor expressed in CHO cells after 90 mins by scintillation counting				J Med Chem 52: 7372-5 (2009) Article DOI: 10.1021/jm9007592 BindingDB Entry DOI: 10.7270/Q2K64J5B
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50300357 ((S)-2-((S)-1-((2S,8S,11R)-11-((S)-2-amino-3-(4-hyd...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](CCCN(C(=O)CBr)C(=O)CBr)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O |r| Show InChI InChI=1S/C46H56Br2N8O13/c47-23-39(61)56(40(62)24-48)19-4-8-33(52-41(63)32(49)20-28-10-14-30(58)15-11-28)43(65)53-34(21-27-6-2-1-3-7-27)42(64)50-25-38(60)51-35(22-29-12-16-31(59)17-13-29)45(67)55-18-5-9-37(55)44(66)54-36(26-57)46(68)69/h1-3,6-7,10-17,32-37,57-59H,4-5,8-9,18-26,49H2,(H,50,64)(H,51,60)(H,52,63)(H,53,65)(H,54,66)(H,68,69)/t32-,33+,34-,35-,36-,37-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	342	n/a	n/a	n/a	n/a	n/a	n/a
The University of Kansas Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from delta opioid receptor expressed in CHO cells after 90 mins by scintillation counting				J Med Chem 52: 7372-5 (2009) Article DOI: 10.1021/jm9007592 BindingDB Entry DOI: 10.7270/Q2K64J5B
					More data for this Ligand-Target Pair