BDBM50264567 CHEMBL4063074

SMILES: Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1

InChI Key: InChIKey=ZHPMYDSXGRRERG-UHFFFAOYSA-N

Data: 6 KI  6 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 12 hits for monomerid = 50264567   

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 (Homo sapiens (Human))	BDBM50264567 (CHEMBL4063074) Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1 Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from recombinant human kappa-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation countin...				Eur J Med Chem 130: 15-25 (2017) Article DOI: 10.1016/j.ejmech.2017.02.029 BindingDB Entry DOI: 10.7270/Q2XP77F8
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50264567 (CHEMBL4063074) Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1 Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]-U69593 from human kappa opiod receptor expressed in CHO cells incubated for 60 mins by liquid scintillation counting method				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50264567 (CHEMBL4063074) Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1 Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	91	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from recombinant human mu-opioid receptor expressed in CHO cell membranes after 60 mins by liquid scintillation counting me...				Eur J Med Chem 130: 15-25 (2017) Article DOI: 10.1016/j.ejmech.2017.02.029 BindingDB Entry DOI: 10.7270/Q2XP77F8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50264567 (CHEMBL4063074) Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1 Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]DPDPE from recombinant human delta-opioid receptor expressed in HEK293 cell membranes after 60 mins by liquid scintillation count...				Eur J Med Chem 130: 15-25 (2017) Article DOI: 10.1016/j.ejmech.2017.02.029 BindingDB Entry DOI: 10.7270/Q2XP77F8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50264567 (CHEMBL4063074) Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1 Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]-DAMGO from human mu opiod receptor expressed in CHO cells incubated for 60 mins by liquid scintillation counting method				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50264567 (CHEMBL4063074) Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1 Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Displacement of [3H]-DPDPE from human delta opiod receptor expressed in human HEK293 cells incubated for 60 mins by liquid scintillation counting met...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50264567 (CHEMBL4063074) Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1 Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at human kappa opiod receptor expressed in CHO cells assessed as inhibition of U69593-induced [35S]GTPgammaS binding incubated fo...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50264567 (CHEMBL4063074) Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1 Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at human mu opiod receptor expressed in CHO cells assessed as inhibition of DAMGO-induced [35S]GTPgammaS binding incubated for 4 ...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50264567 (CHEMBL4063074) Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1 Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at human delta opiod receptor expressed in human HEK293 cells assessed as inhibition of DPDPE-induced [35S]GTPgammaS binding incu...				Bioorg Med Chem Lett 30: (2020)
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50264567 (CHEMBL4063074) Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1 Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at recombinant human kappa-opioid receptor expressed in CHO cell membranes assessed as inhibition of U69593-induced [35S]GTPgamma...				Eur J Med Chem 130: 15-25 (2017) Article DOI: 10.1016/j.ejmech.2017.02.029 BindingDB Entry DOI: 10.7270/Q2XP77F8
					More data for this Ligand-Target Pair
Mu-type opioid receptor (Homo sapiens (Human))	BDBM50264567 (CHEMBL4063074) Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1 Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at recombinant human mu-opioid receptor expressed in CHO cell membranes assessed as inhibition of DAMGO-induced [35S]GTPgammaS bi...				Eur J Med Chem 130: 15-25 (2017) Article DOI: 10.1016/j.ejmech.2017.02.029 BindingDB Entry DOI: 10.7270/Q2XP77F8
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Homo sapiens (Human))	BDBM50264567 (CHEMBL4063074) Show SMILES Cc1cc(C)cc(c1)C1CCCN1Cc1ccc(Oc2ccc(cc2F)C(N)=O)cc1 Show InChI InChI=1S/C26H27FN2O2/c1-17-12-18(2)14-21(13-17)24-4-3-11-29(24)16-19-5-8-22(9-6-19)31-25-10-7-20(26(28)30)15-23(25)27/h5-10,12-15,24H,3-4,11,16H2,1-2H3,(H2,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Antagonist activity at recombinant human delta-opioid receptor expressed in HEK293 cell membranes assessed as inhibition of DPDPE-induced [35S]GTPgam...				Eur J Med Chem 130: 15-25 (2017) Article DOI: 10.1016/j.ejmech.2017.02.029 BindingDB Entry DOI: 10.7270/Q2XP77F8
					More data for this Ligand-Target Pair