BDBM50296977 2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-indol-1-yl)acetic acid::CHEMBL560993

SMILES: Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O

InChI Key: InChIKey=FATGTHLOZSXOBC-UHFFFAOYSA-N

Data: 1 KI  14 IC50  1 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 16 hits for monomerid = 50296977   

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))	BDBM50296977 (2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...) Show SMILES Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Oxagen Ltd. Curated by ChEMBL					Assay Description Antagonistic activity at CRTH2 in human eosinophils assessed as inhibition of PGD2-induced calcium mobilization after 60 mins by Fluo-3 based fluores...				J Med Chem 55: 2915-31 (2012) Article DOI: 10.1021/jm2013997 BindingDB Entry DOI: 10.7270/Q2Z0398R
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50296977 (2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...) Show SMILES Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Antagonist activity at CRTh2 receptor (unknown origin) overexpressed in CHOK1 cell membranes assessed as inhibition of [35S]-GTPgammaS binding preinc...				Bioorg Med Chem Lett 23: 3349-53 (2013) Article DOI: 10.1016/j.bmcl.2013.03.093 BindingDB Entry DOI: 10.7270/Q2C24XSQ
					More data for this Ligand-Target Pair
Prostanoid DP receptor (Homo sapiens (Human))	BDBM50296977 (2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...) Show SMILES Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from prostaglandin D1 receptor in human platelet membrane				Bioorg Med Chem Lett 19: 4647-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.085 BindingDB Entry DOI: 10.7270/Q25T3KHB
					More data for this Ligand-Target Pair
Prostanoid TP receptor (Homo sapiens (Human))	BDBM50296977 (2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...) Show SMILES Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]SQ-29548 from thromboxane receptor in human platelet membrane				Bioorg Med Chem Lett 19: 4647-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.085 BindingDB Entry DOI: 10.7270/Q25T3KHB
					More data for this Ligand-Target Pair
Prostanoid IP receptor (Homo sapiens (Human))	BDBM50296977 (2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...) Show SMILES Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]iloprost from human prostacyclin receptor expressed in human 293 cell membrane				Bioorg Med Chem Lett 19: 4647-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.085 BindingDB Entry DOI: 10.7270/Q25T3KHB
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50296977 (2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...) Show SMILES Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				Bioorg Med Chem Lett 19: 4647-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.085 BindingDB Entry DOI: 10.7270/Q25T3KHB
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50296977 (2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...) Show SMILES Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP2C9				Bioorg Med Chem Lett 19: 4647-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.085 BindingDB Entry DOI: 10.7270/Q25T3KHB
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50296977 (2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...) Show SMILES Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				Bioorg Med Chem Lett 19: 4647-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.085 BindingDB Entry DOI: 10.7270/Q25T3KHB
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50296977 (2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...) Show SMILES Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Oxagen Ltd. Curated by ChEMBL					Assay Description Antagonist activity at CRTH2 expressed in Th2 cells assessed as inhibition of PGD2-induced antiapoptotic activity				J Med Chem 55: 2915-31 (2012) Article DOI: 10.1021/jm2013997 BindingDB Entry DOI: 10.7270/Q2Z0398R
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50296977 (2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...) Show SMILES Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Oxagen Ltd. Curated by ChEMBL					Assay Description Antagonist activity at CRTH2 expressed in Th2 cells assessed as inhibition of PGD2-induced IL13 production				J Med Chem 55: 2915-31 (2012) Article DOI: 10.1021/jm2013997 BindingDB Entry DOI: 10.7270/Q2Z0398R
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50296977 (2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...) Show SMILES Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Oxagen Ltd. Curated by ChEMBL					Assay Description Antagonist activity at CRTH2 expressed in Th2 cells assessed as inhibition of PGD2-induced chemotaxis				J Med Chem 55: 2915-31 (2012) Article DOI: 10.1021/jm2013997 BindingDB Entry DOI: 10.7270/Q2Z0398R
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50296977 (2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...) Show SMILES Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a
Oxagen Ltd. Curated by ChEMBL					Assay Description Antagonist activity at CRTH2 in human eosinophils assessed as inhibition of PGD2-induced shape change				J Med Chem 55: 2915-31 (2012) Article DOI: 10.1021/jm2013997 BindingDB Entry DOI: 10.7270/Q2Z0398R
					More data for this Ligand-Target Pair
Aldose reductase (Rattus norvegicus)	BDBM50296977 (2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...) Show SMILES Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Oxagen Ltd. Curated by ChEMBL					Assay Description Inhibition of rat aldose reductase				J Med Chem 55: 2915-31 (2012) Article DOI: 10.1021/jm2013997 BindingDB Entry DOI: 10.7270/Q2Z0398R
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50296977 (2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...) Show SMILES Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Oxagen Ltd. Curated by ChEMBL					Assay Description Inhibition of CRTH2 in human whole blood				J Med Chem 55: 2915-31 (2012) Article DOI: 10.1021/jm2013997 BindingDB Entry DOI: 10.7270/Q2Z0398R
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50296977 (2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...) Show SMILES Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human prostaglandin D2 receptor in presence of human serum albumin				Bioorg Med Chem Lett 19: 4647-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.085 BindingDB Entry DOI: 10.7270/Q25T3KHB
					More data for this Ligand-Target Pair
G protein-coupled receptor 44 (Homo sapiens (Human))	BDBM50296977 (2-(5-fluoro-2-methyl-3-(quinolin-2-ylmethyl)-1H-in...) Show SMILES Cc1c(Cc2ccc3ccccc3n2)c2cc(F)ccc2n1CC(O)=O Show InChI InChI=1S/C21H17FN2O2/c1-13-17(11-16-8-6-14-4-2-3-5-19(14)23-16)18-10-15(22)7-9-20(18)24(13)12-21(25)26/h2-10H,11-12H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Amira Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]PGD2 from human prostaglandin D2 receptor				Bioorg Med Chem Lett 19: 4647-51 (2009) Article DOI: 10.1016/j.bmcl.2009.06.085 BindingDB Entry DOI: 10.7270/Q25T3KHB
					More data for this Ligand-Target Pair