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SMILES: CC(C)CC(=O)N(Cc1ccc(cc1)S(C)(=O)=O)c1cc(F)cc(c1)-c1nnn[nH]1

InChI Key: InChIKey=SILQXRSMAJOSCL-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50384473   

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
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50384473 (CHEMBL2036222) Show SMILES CC(C)CC(=O)N(Cc1ccc(cc1)S(C)(=O)=O)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C20H22FN5O3S/c1-13(2)8-19(27)26(12-14-4-6-18(7-5-14)30(3,28)29)17-10-15(9-16(21)11-17)20-22-24-25-23-20/h4-7,9-11,13H,8,12H2,1-3H3,(H,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay				ACS Med Chem Lett 2: 938-942 (2011) Article DOI: 10.1021/ml200223s BindingDB Entry DOI: 10.7270/Q2Z89DGQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50384473 (CHEMBL2036222) Show SMILES CC(C)CC(=O)N(Cc1ccc(cc1)S(C)(=O)=O)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C20H22FN5O3S/c1-13(2)8-19(27)26(12-14-4-6-18(7-5-14)30(3,28)29)17-10-15(9-16(21)11-17)20-22-24-25-23-20/h4-7,9-11,13H,8,12H2,1-3H3,(H,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C9 incubated for 15 mins prior to substrate addition measured after 30 mins by spectrophotometry				ACS Med Chem Lett 2: 938-942 (2011) Article DOI: 10.1021/ml200223s BindingDB Entry DOI: 10.7270/Q2Z89DGQ
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor 2 (Homo sapiens (Human))	BDBM50384473 (CHEMBL2036222) Show SMILES CC(C)CC(=O)N(Cc1ccc(cc1)S(C)(=O)=O)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C20H22FN5O3S/c1-13(2)8-19(27)26(12-14-4-6-18(7-5-14)30(3,28)29)17-10-15(9-16(21)11-17)20-22-24-25-23-20/h4-7,9-11,13H,8,12H2,1-3H3,(H,22,23,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at human CRTH2 receptor expressed in CHO cell membrane assessed as inhibition of PGD2-induced [35S]GTPgammaS binding after 30 min...				ACS Med Chem Lett 2: 938-942 (2011) Article DOI: 10.1021/ml200223s BindingDB Entry DOI: 10.7270/Q2Z89DGQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50384473 (CHEMBL2036222) Show SMILES CC(C)CC(=O)N(Cc1ccc(cc1)S(C)(=O)=O)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C20H22FN5O3S/c1-13(2)8-19(27)26(12-14-4-6-18(7-5-14)30(3,28)29)17-10-15(9-16(21)11-17)20-22-24-25-23-20/h4-7,9-11,13H,8,12H2,1-3H3,(H,22,23,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C8 incubated for 15 mins prior to substrate addition measured after 30 mins by spectrophotometry				ACS Med Chem Lett 2: 938-942 (2011) Article DOI: 10.1021/ml200223s BindingDB Entry DOI: 10.7270/Q2Z89DGQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50384473 (CHEMBL2036222) Show SMILES CC(C)CC(=O)N(Cc1ccc(cc1)S(C)(=O)=O)c1cc(F)cc(c1)-c1nnn[nH]1 Show InChI InChI=1S/C20H22FN5O3S/c1-13(2)8-19(27)26(12-14-4-6-18(7-5-14)30(3,28)29)17-10-15(9-16(21)11-17)20-22-24-25-23-20/h4-7,9-11,13H,8,12H2,1-3H3,(H,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C19 incubated for 15 mins prior to substrate addition measured after 30 mins by spectrophotometry				ACS Med Chem Lett 2: 938-942 (2011) Article DOI: 10.1021/ml200223s BindingDB Entry DOI: 10.7270/Q2Z89DGQ
					More data for this Ligand-Target Pair