BDBM50096786 CHEMBL3580750

SMILES: Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O

InChI Key: InChIKey=IPDATJKZKSJYTA-WUXKFAKNSA-N

Data: 3 IC50  2 EC50

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 5 hits for monomerid = 50096786   

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))	BDBM50096786 (CHEMBL3580750) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C40H48F3N7O7/c1-22-16-27(51)17-23(2)28(22)20-29(44)36(54)47-30-10-6-7-15-46-34(52)21-31(35(45)53)48-38(56)33(19-25-11-13-26(14-12-25)40(41,42)43)50-39(57)32(49-37(30)55)18-24-8-4-3-5-9-24/h3-5,8-9,11-14,16-17,29-33,51H,6-7,10,15,18-21,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30+,31-,32-,33-/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
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50096786 (CHEMBL3580750) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C40H48F3N7O7/c1-22-16-27(51)17-23(2)28(22)20-29(44)36(54)47-30-10-6-7-15-46-34(52)21-31(35(45)53)48-38(56)33(19-25-11-13-26(14-12-25)40(41,42)43)50-39(57)32(49-37(30)55)18-24-8-4-3-5-9-24/h3-5,8-9,11-14,16-17,29-33,51H,6-7,10,15,18-21,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30+,31-,32-,33-/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	6.80	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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50096786 (CHEMBL3580750) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C40H48F3N7O7/c1-22-16-27(51)17-23(2)28(22)20-29(44)36(54)47-30-10-6-7-15-46-34(52)21-31(35(45)53)48-38(56)33(19-25-11-13-26(14-12-25)40(41,42)43)50-39(57)32(49-37(30)55)18-24-8-4-3-5-9-24/h3-5,8-9,11-14,16-17,29-33,51H,6-7,10,15,18-21,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30+,31-,32-,33-/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	0.920	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 (Cavia porcellus (domestic guinea pig))	BDBM50096786 (CHEMBL3580750) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C40H48F3N7O7/c1-22-16-27(51)17-23(2)28(22)20-29(44)36(54)47-30-10-6-7-15-46-34(52)21-31(35(45)53)48-38(56)33(19-25-11-13-26(14-12-25)40(41,42)43)50-39(57)32(49-37(30)55)18-24-8-4-3-5-9-24/h3-5,8-9,11-14,16-17,29-33,51H,6-7,10,15,18-21,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30+,31-,32-,33-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50096786 (CHEMBL3580750) Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@H](NC(=O)[C@H](Cc2ccc(cc2)C(F)(F)F)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C40H48F3N7O7/c1-22-16-27(51)17-23(2)28(22)20-29(44)36(54)47-30-10-6-7-15-46-34(52)21-31(35(45)53)48-38(56)33(19-25-11-13-26(14-12-25)40(41,42)43)50-39(57)32(49-37(30)55)18-24-8-4-3-5-9-24/h3-5,8-9,11-14,16-17,29-33,51H,6-7,10,15,18-21,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t29-,30+,31-,32-,33-/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	3.60	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