Affinity Data by PubMed id=20711197

PubMed code 20711197

Found 12 hits of Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM36511 (5-((2-Carboxy-1H-benzo[g]indol-1-yl)methyl)isoxazo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	7.4	23
Novartis Institutes for Biomedical Research					Assay Description A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.				Nat Chem Biol 6: 660-6 (2010) Article DOI: 10.1038/nchembio.421 BindingDB Entry DOI: 10.7270/Q2KP80HJ
Novartis Institutes for Biomedical Research					More data for this Ligand-Target Pair
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM36510 (1-(Carboxymethyl)-1H-benzo[g]indole-2-carboxylic a...) Show SMILES OC(=O)Cn1c(cc2ccc3ccccc3c12)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem	MMDB PDB Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.4	23
Novartis Institutes for Biomedical Research					Assay Description A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.				Nat Chem Biol 6: 660-6 (2010) Article DOI: 10.1038/nchembio.421 BindingDB Entry DOI: 10.7270/Q2KP80HJ
Novartis Institutes for Biomedical Research					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM36508 (3-(Carboxymethyl)-4,7-dichloro-1H-indole-2-carboxy...) Show SMILES OC(=O)Cc1c([nH]c2c(Cl)ccc(Cl)c12)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	7.4	23
Novartis Institutes for Biomedical Research					Assay Description A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.				Nat Chem Biol 6: 660-6 (2010) Article DOI: 10.1038/nchembio.421 BindingDB Entry DOI: 10.7270/Q2KP80HJ
Novartis Institutes for Biomedical Research					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM36509 (3-(Carboxymethyl)-5,7-dichloro-1H-indole-2-carboxy...) Show SMILES OC(=O)Cc1c([nH]c2c(Cl)cc(Cl)cc12)C(O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	7.4	23
Novartis Institutes for Biomedical Research					Assay Description A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.				Nat Chem Biol 6: 660-6 (2010) Article DOI: 10.1038/nchembio.421 BindingDB Entry DOI: 10.7270/Q2KP80HJ
Novartis Institutes for Biomedical Research					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM36506 (2-(Naphtho[2,1-b]thiophen-1-yl)acetic acid, 7 \| CI...) Show SMILES OC(=O)Cc1csc2ccc3ccccc3c12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	7.4	23
Novartis Institutes for Biomedical Research					Assay Description A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.				Nat Chem Biol 6: 660-6 (2010) Article DOI: 10.1038/nchembio.421 BindingDB Entry DOI: 10.7270/Q2KP80HJ
Novartis Institutes for Biomedical Research					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM36505 (2-(3-Chlorobenzo[b]thiophen-2-yl)acetic acid, 6 \| ...) Show SMILES OC(=O)Cc1sc2ccccc2c1Cl Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	7.4	23
Novartis Institutes for Biomedical Research					Assay Description A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.				Nat Chem Biol 6: 660-6 (2010) Article DOI: 10.1038/nchembio.421 BindingDB Entry DOI: 10.7270/Q2KP80HJ
Novartis Institutes for Biomedical Research					More data for this Ligand-Target Pair				3D Structure (docked)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM36507 ((R)-1-(benzyloxycarbonyl)indoline-2-carboxylic aci...) Show SMILES OC(=O)[C@H]1Cc2ccccc2N1C(=O)OCc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	5.00E+4	n/a	n/a	n/a	n/a	7.4	23
Novartis Institutes for Biomedical Research					Assay Description A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.				Nat Chem Biol 6: 660-6 (2010) Article DOI: 10.1038/nchembio.421 BindingDB Entry DOI: 10.7270/Q2KP80HJ
Novartis Institutes for Biomedical Research					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM36504 (2-(4-Chlorobenzo[b]thiophen-2-yl)propanoic acid, 5...) Show SMILES CC(C(O)=O)c1cc2c(Cl)cccc2s1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+4	n/a	n/a	n/a	n/a	7.4	23
Novartis Institutes for Biomedical Research					Assay Description A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.				Nat Chem Biol 6: 660-6 (2010) Article DOI: 10.1038/nchembio.421 BindingDB Entry DOI: 10.7270/Q2KP80HJ
Novartis Institutes for Biomedical Research					More data for this Ligand-Target Pair				3D Structure (docked)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM36501 (2-(5-chloro-3-methylbenzo[b]thiophen-2-yl)acetic a...) Show SMILES Cc1c(CC(O)=O)sc2ccc(Cl)cc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	7.4	23
Novartis Institutes for Biomedical Research					Assay Description A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.				Nat Chem Biol 6: 660-6 (2010) Article DOI: 10.1038/nchembio.421 BindingDB Entry DOI: 10.7270/Q2KP80HJ
Novartis Institutes for Biomedical Research					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM36502 (2-(6-Methoxybenzofuran-3-yl)acetic acid, 3 \| CID73...) Show SMILES COc1ccc2c(CC(O)=O)coc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	7.4	23
Novartis Institutes for Biomedical Research					Assay Description A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.				Nat Chem Biol 6: 660-6 (2010) Article DOI: 10.1038/nchembio.421 BindingDB Entry DOI: 10.7270/Q2KP80HJ
Novartis Institutes for Biomedical Research					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM36500 (2-(5-Chlorobenzo[b]thiophen-3-yl)acetic acid, 1 \| ...) Show SMILES OC(=O)Cc1csc2ccc(Cl)cc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	7.4	23
Novartis Institutes for Biomedical Research					Assay Description A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.				Nat Chem Biol 6: 660-6 (2010) Article DOI: 10.1038/nchembio.421 BindingDB Entry DOI: 10.7270/Q2KP80HJ
Novartis Institutes for Biomedical Research					More data for this Ligand-Target Pair				3D Structure (crystal)
Farnesyl pyrophosphate synthase (Homo sapiens (Human))	BDBM36503 ((S)-1-((Benzyloxy)carbonyl)indoline-2-carboxylic a...) Show SMILES OC(=O)[C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	7.4	23
Novartis Institutes for Biomedical Research					Assay Description A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.				Nat Chem Biol 6: 660-6 (2010) Article DOI: 10.1038/nchembio.421 BindingDB Entry DOI: 10.7270/Q2KP80HJ
Novartis Institutes for Biomedical Research					More data for this Ligand-Target Pair				3D Structure (crystal)

* indicates data uncertainty>20%