BindingDB PrimarySearch

BDBM50169047 (S)-2-(4-Isobutyl-phenyl)-propionic acid::(S)-2-(4-isobutylphenyl)propanoic acid::(S)-ibuprofen::CHEMBL175::DEXIBUPROFEN::IBUPROFEN LYSINE

SMILES: CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O

InChI Key: InChIKey=HEFNNWSXXWATRW-JTQLQIEISA-N

Data: 3 KI 15 IC50 8 EC50

PDB links: 12 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50169047
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
GTP-binding protein (rab7) (Canis lupus familiaris)	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2SB445M
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q22R3Q30
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	3.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2TB15BF
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2Z31X2S
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
GTP-binding protein (rab7) (Canis lupus familiaris)	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	4.78E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2X34VWJ
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
ras protein (Homo sapiens (Human))	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2D21W1M
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q24M92ZV
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Ras-related C3 botulinum toxin substrate 1 (Mus musculus)	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2W37TR5
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against ram seminal vescicle prostaglandin G/H synthase 1				Bioorg Med Chem Lett 14: 979-82 (2004) Article DOI: 10.1016/j.bmcl.2003.11.066 BindingDB Entry DOI: 10.7270/Q25M655Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Astex Therapeutics Ltd. Curated by ChEMBL					Assay Description Inhibition of COX1				J Med Chem 51: 3661-80 (2008) Article DOI: 10.1021/jm8000373 BindingDB Entry DOI: 10.7270/Q2N58M4H
Astex Therapeutics Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Haini Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of COX1 in human HEL 92.1.7 cells assessed as thromboxane B2 production incubated for 30 mins before arachidonic acid addition measured af...				Bioorg Med Chem Lett 21: 3578-82 (2011) Article DOI: 10.1016/j.bmcl.2011.04.114 BindingDB Entry DOI: 10.7270/Q2DN45H6
Shanghai Haini Pharmaceutical Co. Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2) (Ovis aries (Sheep))	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against sheep placenta Prostaglandin G/H synthase 2				Bioorg Med Chem Lett 14: 979-82 (2004) Article DOI: 10.1016/j.bmcl.2003.11.066 BindingDB Entry DOI: 10.7270/Q25M655Z
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase (Cyclooxygenase-2) (Ovis aries (Sheep))	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of sheep COX2 by spectrophotometry				J Med Chem 53: 6560-71 (2010) Article DOI: 10.1021/jm100398z BindingDB Entry DOI: 10.7270/Q21R6QQW
Universitat de Barcelona Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Prostaglandin G/H synthase (cyclooxygenase) (Ovis aries (Sheep))	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universitat de Barcelona Curated by ChEMBL					Assay Description Inhibition of sheep COX1 by spectrophotometry				J Med Chem 53: 6560-71 (2010) Article DOI: 10.1021/jm100398z BindingDB Entry DOI: 10.7270/Q21R6QQW
Universitat de Barcelona Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase-1 (COX-1) (Homo sapiens (Human))	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Haini Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of ovine COX1 by EIA				Bioorg Med Chem Lett 21: 3578-82 (2011) Article DOI: 10.1016/j.bmcl.2011.04.114 BindingDB Entry DOI: 10.7270/Q2DN45H6
Shanghai Haini Pharmaceutical Co. Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclooxygenase (Homo sapiens (Human))	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Haini Pharmaceutical Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of COX2 in LPS-stimulated and PMA-treated human U937 cells assessed as PGE2 production after 15 mins by ELISA				Bioorg Med Chem Lett 21: 3578-82 (2011) Article DOI: 10.1016/j.bmcl.2011.04.114 BindingDB Entry DOI: 10.7270/Q2DN45H6
Shanghai Haini Pharmaceutical Co. Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C4 (AK1C4) (Homo sapiens (Human))	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C4 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...				J Med Chem 55: 7746-58 (2012) Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F
University of Auckland Curated by ChEMBL					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C1 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...				J Med Chem 55: 7746-58 (2012) Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F
University of Auckland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...				J Med Chem 55: 7746-58 (2012) Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F
University of Auckland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) (Homo sapiens (Human))	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1...				J Med Chem 55: 7746-58 (2012) Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F
University of Auckland Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Amiloride-sensitive cation channel 3 (Rattus norvegicus)	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rat ASIC3 receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.4-gated currents by two electrode voltage clamp				J Med Chem 60: 8192-8200 (2017) Article DOI: 10.1021/acs.jmedchem.7b01072 BindingDB Entry DOI: 10.7270/Q2N58PSV
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
Acid-sensing ion channel 1 (Rattus norvegicus)	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.47E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Inhibition of rat ASIC1a receptor expressed in xenopus lavies oocytes assessed as inhibition of pH 6.7-gated currents by two electrode voltage clamp				J Med Chem 60: 8192-8200 (2017) Article DOI: 10.1021/acs.jmedchem.7b01072 BindingDB Entry DOI: 10.7270/Q2N58PSV
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
cell division cycle 42 (GTP binding protein, 25kDa) (Homo sapiens (Human))	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.41E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q26H4FT9
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Interleukin-8 receptors, CXCR1/CXCR2 (Homo sapiens (Human))	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Domp£ S.p.A. Curated by ChEMBL					Assay Description Inhibition of CXCL8-induced chemotaxis in human polymorphonuclear cells				J Med Chem 48: 4312-31 (2005) Article DOI: 10.1021/jm049082i BindingDB Entry DOI: 10.7270/Q2Z89G5H
Domp£ S.p.A. Curated by ChEMBL					More data for this Ligand-Target Pair
ras protein (Homo sapiens (Human))	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q23N21VG
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Ras-related protein Rab-2A. (Canis lupus familiaris)	BDBM50169047 ((S)-2-(4-Isobutyl-phenyl)-propionic acid \| (S)-2-(...) Show SMILES CC(C)Cc1ccc(cc1)[C@H](C)C(O)=O \|r\| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: NIH I RO3 MH081231-01 HTS to identify specific small molecule inhibitors of Ras and Ras-rela...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2V40SNS
NMMLSC Curated by PubChem BioAssay					More data for this Ligand-Target Pair