BDBM50434990 ACT-129968::SETIPIPRANT

SMILES: OC(=O)Cn1c2CCN(Cc2c2cc(F)ccc12)C(=O)c1cccc2ccccc12

InChI Key: InChIKey=IHAXLPDVOWLUOS-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 50434990   

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
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50434990 (ACT-129968 | SETIPIPRANT) Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(F)ccc12)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting analysis				J Med Chem 56: 4899-911 (2013) Article DOI: 10.1021/jm400122f BindingDB Entry DOI: 10.7270/Q2ZP47HB
					More data for this Ligand-Target Pair
Prostanoid DP receptor (Homo sapiens (Human))	BDBM50434990 (ACT-129968 | SETIPIPRANT) Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(F)ccc12)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from recombinant human prostanoid DP1 receptor expressed in CHO cells after 90 mins by scintillation counting analysis				J Med Chem 56: 4899-911 (2013) Article DOI: 10.1021/jm400122f BindingDB Entry DOI: 10.7270/Q2ZP47HB
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50434990 (ACT-129968 | SETIPIPRANT) Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(F)ccc12)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from recombinant human CRTH2 receptor expressed in HEK293 cell membranes after 90 mins by scintillation counting analysis in...				J Med Chem 56: 4899-911 (2013) Article DOI: 10.1021/jm400122f BindingDB Entry DOI: 10.7270/Q2ZP47HB
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50434990 (ACT-129968 | SETIPIPRANT) Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(F)ccc12)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Antagonist activity at CRTH2 receptor in human eosinophils assessed as inhibition of PGD2-induced cell shape change incubated for 1 hr prior to PGD2 ...				J Med Chem 56: 4899-911 (2013) Article DOI: 10.1021/jm400122f BindingDB Entry DOI: 10.7270/Q2ZP47HB
					More data for this Ligand-Target Pair
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50434990 (ACT-129968 | SETIPIPRANT) Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(F)ccc12)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human prostanoid TP2 receptor expressed in HEK293 cells assessed as inhibition of calcium flux after 30 to 40 mins by FLIPR as...				J Med Chem 56: 4899-911 (2013) Article DOI: 10.1021/jm400122f BindingDB Entry DOI: 10.7270/Q2ZP47HB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50434990 (ACT-129968 | SETIPIPRANT) Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(F)ccc12)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes assessed as diclofenac 4'-hydroxylation by LC-MS/MS analysis				J Med Chem 56: 4899-911 (2013) Article DOI: 10.1021/jm400122f BindingDB Entry DOI: 10.7270/Q2ZP47HB
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50434990 (ACT-129968 | SETIPIPRANT) Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(F)ccc12)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation by LC-MS/MS analysis				J Med Chem 56: 4899-911 (2013) Article DOI: 10.1021/jm400122f BindingDB Entry DOI: 10.7270/Q2ZP47HB
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50434990 (ACT-129968 | SETIPIPRANT) Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(F)ccc12)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human CRTH2 receptor expressed in HEK293 cells assessed as inhibition of PGD2-induced calcium flux after 5 mins by FLIPR assay				J Med Chem 56: 4899-911 (2013) Article DOI: 10.1021/jm400122f BindingDB Entry DOI: 10.7270/Q2ZP47HB
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50434990 (ACT-129968 | SETIPIPRANT) Show SMILES OC(=O)Cn1c2CCN(Cc2c2cc(F)ccc12)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Actelion Pharmaceuticals Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human CRTH2 receptor expressed in HEK293 cells assessed as inhibition of PGD2/forskolin-induced intracellular cAMP production ...				J Med Chem 56: 4899-911 (2013) Article DOI: 10.1021/jm400122f BindingDB Entry DOI: 10.7270/Q2ZP47HB
					More data for this Ligand-Target Pair