null

SMILES: N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(F)cc2F)NC1=O)C(N)=O

InChI Key: InChIKey=RQLFTSFUIHSJFS-JZVHMONDSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50096789   

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
Kappa-type opioid receptor (Cavia porcellus (domestic guinea pig))	BDBM50096789 (CHEMBL3582485) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(F)cc2F)NC1=O)C(N)=O |r| Show InChI InChI=1S/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)45-30(17-21-6-2-1-3-7-21)36(52)44-29(33(41)49)20-32(48)42-15-5-4-8-28(35(51)46-31)43-34(50)27(40)16-22-9-13-25(47)14-10-22/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,52)(H,45,53)(H,46,51)/t27-,28+,29-,30-,31-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lodz Curated by ChEMBL					Assay Description Displacement of [3H]nor-BNI from kappa opioid receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis				ACS Med Chem Lett 6: 579-83 (2015) Article DOI: 10.1021/acsmedchemlett.5b00056 BindingDB Entry DOI: 10.7270/Q2FF3V3Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50096789 (CHEMBL3582485) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(F)cc2F)NC1=O)C(N)=O |r| Show InChI InChI=1S/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)45-30(17-21-6-2-1-3-7-21)36(52)44-29(33(41)49)20-32(48)42-15-5-4-8-28(35(51)46-31)43-34(50)27(40)16-22-9-13-25(47)14-10-22/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,52)(H,45,53)(H,46,51)/t27-,28+,29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.690	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lodz Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis				ACS Med Chem Lett 6: 579-83 (2015) Article DOI: 10.1021/acsmedchemlett.5b00056 BindingDB Entry DOI: 10.7270/Q2FF3V3Z
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50096789 (CHEMBL3582485) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(F)cc2F)NC1=O)C(N)=O |r| Show InChI InChI=1S/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)45-30(17-21-6-2-1-3-7-21)36(52)44-29(33(41)49)20-32(48)42-15-5-4-8-28(35(51)46-31)43-34(50)27(40)16-22-9-13-25(47)14-10-22/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,52)(H,45,53)(H,46,51)/t27-,28+,29-,30-,31-/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	n/a	n/a	7.60	n/a	n/a	n/a	n/a
Medical University of Lodz Curated by ChEMBL					Assay Description Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells co-expressing C-terminally modified Galphaqi5 assessed as stimulat...				ACS Med Chem Lett 6: 579-83 (2015) Article DOI: 10.1021/acsmedchemlett.5b00056 BindingDB Entry DOI: 10.7270/Q2FF3V3Z
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50096789 (CHEMBL3582485) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(F)cc2F)NC1=O)C(N)=O |r| Show InChI InChI=1S/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)45-30(17-21-6-2-1-3-7-21)36(52)44-29(33(41)49)20-32(48)42-15-5-4-8-28(35(51)46-31)43-34(50)27(40)16-22-9-13-25(47)14-10-22/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,52)(H,45,53)(H,46,51)/t27-,28+,29-,30-,31-/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	n/a	n/a	4.10	n/a	n/a	n/a	n/a
Medical University of Lodz Curated by ChEMBL					Assay Description Agonist activity at human recombinant mu opioid receptor expressed in CHO cells co-expressing C-terminally modified GGalphaqi5 assessed as stimulatio...				ACS Med Chem Lett 6: 579-83 (2015) Article DOI: 10.1021/acsmedchemlett.5b00056 BindingDB Entry DOI: 10.7270/Q2FF3V3Z
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50096789 (CHEMBL3582485) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(F)cc2F)NC1=O)C(N)=O |r| Show InChI InChI=1S/C37H43F2N7O7/c38-24-12-11-23(26(39)19-24)18-31-37(53)45-30(17-21-6-2-1-3-7-21)36(52)44-29(33(41)49)20-32(48)42-15-5-4-8-28(35(51)46-31)43-34(50)27(40)16-22-9-13-25(47)14-10-22/h1-3,6-7,9-14,19,27-31,47H,4-5,8,15-18,20,40H2,(H2,41,49)(H,42,48)(H,43,50)(H,44,52)(H,45,53)(H,46,51)/t27-,28+,29-,30-,31-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of Lodz Curated by ChEMBL					Assay Description Displacement of [3H][Ile5,6]deltorphin-2 from delta opioid receptor in Wistar rat brain membranes after 120 mins by scintillation counting analysis				ACS Med Chem Lett 6: 579-83 (2015) Article DOI: 10.1021/acsmedchemlett.5b00056 BindingDB Entry DOI: 10.7270/Q2FF3V3Z
					More data for this Ligand-Target Pair