null

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN(CC1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](Cc1ccccc1)C(=O)NC(CC1CCCCC1)C(O)=O

InChI Key: InChIKey=ZYBZKGMEENWLMP-ZVEXDJQDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50142702   

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 (Homo sapiens (Human))	BDBM50142702 (CHEMBL3758231) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN(CC1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](Cc1ccccc1)C(=O)NC(CC1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C71H97N13O10/c1-45-35-55(86)36-46(2)56(45)42-57(73)64(87)79-60(26-16-32-78-71(75)76)66(89)81-61(38-47-17-6-3-7-18-47)67(90)80-59(25-14-15-31-72)65(88)77-33-34-83(63(40-49-21-10-5-11-22-49)68(91)82-62(70(93)94)39-48-19-8-4-9-20-48)44-53-41-51-23-12-13-24-52(51)43-84(53)69(92)58(74)37-50-27-29-54(85)30-28-50/h3,5-7,10-13,17-18,21-24,27-30,35-36,48,53,57-63,85-86H,4,8-9,14-16,19-20,25-26,31-34,37-44,72-74H2,1-2H3,(H,77,88)(H,79,87)(H,80,90)(H,81,89)(H,82,91)(H,93,94)(H4,75,76,78)/t53?,57-,58-,59-,60+,61-,62?,63-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Binding affinity at delta opioid receptor (unknown origin)				Eur J Med Chem 108: 211-28 (2016) BindingDB Entry DOI: 10.7270/Q2R2137W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50142702 (CHEMBL3758231) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN(CC1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](Cc1ccccc1)C(=O)NC(CC1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C71H97N13O10/c1-45-35-55(86)36-46(2)56(45)42-57(73)64(87)79-60(26-16-32-78-71(75)76)66(89)81-61(38-47-17-6-3-7-18-47)67(90)80-59(25-14-15-31-72)65(88)77-33-34-83(63(40-49-21-10-5-11-22-49)68(91)82-62(70(93)94)39-48-19-8-4-9-20-48)44-53-41-51-23-12-13-24-52(51)43-84(53)69(92)58(74)37-50-27-29-54(85)30-28-50/h3,5-7,10-13,17-18,21-24,27-30,35-36,48,53,57-63,85-86H,4,8-9,14-16,19-20,25-26,31-34,37-44,72-74H2,1-2H3,(H,77,88)(H,79,87)(H,80,90)(H,81,89)(H,82,91)(H,93,94)(H4,75,76,78)/t53?,57-,58-,59-,60+,61-,62?,63-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Binding affinity at mu opioid receptor (unknown origin)				Eur J Med Chem 108: 211-28 (2016) BindingDB Entry DOI: 10.7270/Q2R2137W
					More data for this Ligand-Target Pair
Mu-type opioid receptor (GUINEA PIG)	BDBM50142702 (CHEMBL3758231) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)NCCN(CC1Cc2ccccc2CN1C(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](Cc1ccccc1)C(=O)NC(CC1CCCCC1)C(O)=O |r| Show InChI InChI=1S/C71H97N13O10/c1-45-35-55(86)36-46(2)56(45)42-57(73)64(87)79-60(26-16-32-78-71(75)76)66(89)81-61(38-47-17-6-3-7-18-47)67(90)80-59(25-14-15-31-72)65(88)77-33-34-83(63(40-49-21-10-5-11-22-49)68(91)82-62(70(93)94)39-48-19-8-4-9-20-48)44-53-41-51-23-12-13-24-52(51)43-84(53)69(92)58(74)37-50-27-29-54(85)30-28-50/h3,5-7,10-13,17-18,21-24,27-30,35-36,48,53,57-63,85-86H,4,8-9,14-16,19-20,25-26,31-34,37-44,72-74H2,1-2H3,(H,77,88)(H,79,87)(H,80,90)(H,81,89)(H,82,91)(H,93,94)(H4,75,76,78)/t53?,57-,58-,59-,60+,61-,62?,63-/m0/s1	UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
University of Catania Curated by ChEMBL					Assay Description Agonist activity at mu-opioid receptor in guinea pig ileum				Eur J Med Chem 108: 211-28 (2016) BindingDB Entry DOI: 10.7270/Q2R2137W
					More data for this Ligand-Target Pair