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SMILES: COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc(cc1)C(N)=N

InChI Key: InChIKey=PYYIGZSQKIBTPL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50509099   

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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM50509099 (CHEMBL4565294) Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H21N3O4S/c1-14-7-12-17(24-29(25,26)20-6-4-3-5-18(20)27-2)19(13-14)28-16-10-8-15(9-11-16)21(22)23/h3-13,24H,1-2H3,(H3,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DAMGO from mu opioid receptor in rat brain after 60 mins by liquid scintillation counting method				J Med Chem 62: 8631-8641 (2019) Article DOI: 10.1021/acs.jmedchem.9b01003
					More data for this Ligand-Target Pair
Delta-type opioid receptor (Rattus norvegicus (rat))	BDBM50509099 (CHEMBL4565294) Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H21N3O4S/c1-14-7-12-17(24-29(25,26)20-6-4-3-5-18(20)27-2)19(13-14)28-16-10-8-15(9-11-16)21(22)23/h3-13,24H,1-2H3,(H3,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]DADLE from delta opioid receptor in rat brain after 60 mins by liquid scintillation counting method				J Med Chem 62: 8631-8641 (2019) Article DOI: 10.1021/acs.jmedchem.9b01003
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Rattus norvegicus (rat))	BDBM50509099 (CHEMBL4565294) Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H21N3O4S/c1-14-7-12-17(24-29(25,26)20-6-4-3-5-18(20)27-2)19(13-14)28-16-10-8-15(9-11-16)21(22)23/h3-13,24H,1-2H3,(H3,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.43E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]U-69,593 from kappa opioid receptor in rat brain after 60 mins by liquid scintillation counting method				J Med Chem 62: 8631-8641 (2019) Article DOI: 10.1021/acs.jmedchem.9b01003
					More data for this Ligand-Target Pair
Mas-related G-protein coupled receptor member X1 (Homo sapiens (Human))	BDBM50509099 (CHEMBL4565294) Show SMILES COc1ccccc1S(=O)(=O)Nc1ccc(C)cc1Oc1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H21N3O4S/c1-14-7-12-17(24-29(25,26)20-6-4-3-5-18(20)27-2)19(13-14)28-16-10-8-15(9-11-16)21(22)23/h3-13,24H,1-2H3,(H3,22,23)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Agonist activity at human MrgprX1 expressed in HEK293 cells incubated for 2 mins by Fluo4AM dye based FLIPR assay				J Med Chem 62: 8631-8641 (2019) Article DOI: 10.1021/acs.jmedchem.9b01003
					More data for this Ligand-Target Pair