BDBM50324023 (2S,5S,8R,11S,14S)-2-amino-14-((S)-1-((S)-1-(2-amino-2-oxoethylamino)-3-methyl-1-oxobutan-2-ylamino)-3-methyl-1-oxobutan-2-ylcarbamoyl)-11-benzyl-1-(4-hydroxy-2,6-dimethylphenyl)-5-(4-hydroxybenzyl)-8-methyl-3,6,9,12-tetraoxo-4,7,10,13-tetraazaheptadecan-17-oic acid::CHEMBL1213989

SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(C)C)C(=O)NCC(N)=O

InChI Key: InChIKey=UYLUQCREUVDEDF-RWVHMXOYSA-N

Data: 2 KI  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 4 hits for monomerid = 50324023   

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
Opioid receptors; mu & delta (Rattus norvegicus (rat))	BDBM50324023 ((2S,5S,8R,11S,14S)-2-amino-14-((S)-1-((S)-1-(2-ami...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C49H67N9O12/c1-25(2)41(48(69)52-24-39(51)61)58-49(70)42(26(3)4)57-45(66)36(17-18-40(62)63)54-47(68)38(21-30-11-9-8-10-12-30)55-43(64)29(7)53-46(67)37(22-31-13-15-32(59)16-14-31)56-44(65)35(50)23-34-27(5)19-33(60)20-28(34)6/h8-16,19-20,25-26,29,35-38,41-42,59-60H,17-18,21-24,50H2,1-7H3,(H2,51,61)(H,52,69)(H,53,67)(H,54,68)(H,55,64)(H,56,65)(H,57,66)(H,58,70)(H,62,63)/t29-,35+,36+,37+,38+,41+,42+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]deltorphin 2 from delta opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				Bioorg Med Chem 18: 6024-30 (2010) Article DOI: 10.1016/j.bmc.2010.06.073 BindingDB Entry DOI: 10.7270/Q2MG7PPX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50324023 ((2S,5S,8R,11S,14S)-2-amino-14-((S)-1-((S)-1-(2-ami...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C49H67N9O12/c1-25(2)41(48(69)52-24-39(51)61)58-49(70)42(26(3)4)57-45(66)36(17-18-40(62)63)54-47(68)38(21-30-11-9-8-10-12-30)55-43(64)29(7)53-46(67)37(22-31-13-15-32(59)16-14-31)56-44(65)35(50)23-34-27(5)19-33(60)20-28(34)6/h8-16,19-20,25-26,29,35-38,41-42,59-60H,17-18,21-24,50H2,1-7H3,(H2,51,61)(H,52,69)(H,53,67)(H,54,68)(H,55,64)(H,56,65)(H,57,66)(H,58,70)(H,62,63)/t29-,35+,36+,37+,38+,41+,42+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Sprague-Dawley rat brain P2 synaptosomal membrane				Bioorg Med Chem 18: 6024-30 (2010) Article DOI: 10.1016/j.bmc.2010.06.073 BindingDB Entry DOI: 10.7270/Q2MG7PPX
					More data for this Ligand-Target Pair
Delta-type opioid receptor (MOUSE)	BDBM50324023 ((2S,5S,8R,11S,14S)-2-amino-14-((S)-1-((S)-1-(2-ami...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C49H67N9O12/c1-25(2)41(48(69)52-24-39(51)61)58-49(70)42(26(3)4)57-45(66)36(17-18-40(62)63)54-47(68)38(21-30-11-9-8-10-12-30)55-43(64)29(7)53-46(67)37(22-31-13-15-32(59)16-14-31)56-44(65)35(50)23-34-27(5)19-33(60)20-28(34)6/h8-16,19-20,25-26,29,35-38,41-42,59-60H,17-18,21-24,50H2,1-7H3,(H2,51,61)(H,52,69)(H,53,67)(H,54,68)(H,55,64)(H,56,65)(H,57,66)(H,58,70)(H,62,63)/t29-,35+,36+,37+,38+,41+,42+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Agonist activity at delta opioid receptor in mouse vas deference				Bioorg Med Chem 18: 6024-30 (2010) Article DOI: 10.1016/j.bmc.2010.06.073 BindingDB Entry DOI: 10.7270/Q2MG7PPX
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50324023 ((2S,5S,8R,11S,14S)-2-amino-14-((S)-1-((S)-1-(2-ami...) Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C)C(C)C)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C49H67N9O12/c1-25(2)41(48(69)52-24-39(51)61)58-49(70)42(26(3)4)57-45(66)36(17-18-40(62)63)54-47(68)38(21-30-11-9-8-10-12-30)55-43(64)29(7)53-46(67)37(22-31-13-15-32(59)16-14-31)56-44(65)35(50)23-34-27(5)19-33(60)20-28(34)6/h8-16,19-20,25-26,29,35-38,41-42,59-60H,17-18,21-24,50H2,1-7H3,(H2,51,61)(H,52,69)(H,53,67)(H,54,68)(H,55,64)(H,56,65)(H,57,66)(H,58,70)(H,62,63)/t29-,35+,36+,37+,38+,41+,42+/m1/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48.2	n/a	n/a	n/a	n/a	n/a	n/a
University of Cagliari Curated by ChEMBL					Assay Description Agonist activity at mu opioid receptor in Hartley guinea pig small intestine				Bioorg Med Chem 18: 6024-30 (2010) Article DOI: 10.1016/j.bmc.2010.06.073 BindingDB Entry DOI: 10.7270/Q2MG7PPX
					More data for this Ligand-Target Pair