BindingDB PrimarySearch

Found 96 hits with Last Name = 'garg' and Initial = 'd'
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
Thymidylate synthase (Homo sapiens (Human))	BDBM18796 ((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Theoretical Studies gGmbH Curated by ChEMBL					Assay Description Inhibition of thymidin synthase				J Med Chem 53: 6539-49 (2010) Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S
Institute of Theoretical Studies gGmbH Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Dihydrofolate reductase (Homo sapiens (Human))	BDBM18796 ((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Theoretical Studies gGmbH Curated by ChEMBL					Assay Description Inhibition of DHFR				J Med Chem 53: 6539-49 (2010) Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S
Institute of Theoretical Studies gGmbH Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50326711 (1,3-propanediphosphonic acid \| CHEMBL1230579 \| PRO...) Show SMILES OP(O)(=O)CCCP(O)(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Theoretical Studies gGmbH Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase by uncompetitive binding				J Med Chem 53: 6539-49 (2010) Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S
Institute of Theoretical Studies gGmbH Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Trifunctional purine biosynthetic protein adenosine-3 (Homo sapiens (Human))	BDBM18796 ((2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Theoretical Studies gGmbH Curated by ChEMBL					Assay Description Inhibition of GARFT				J Med Chem 53: 6539-49 (2010) Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S
Institute of Theoretical Studies gGmbH Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50326711 (1,3-propanediphosphonic acid \| CHEMBL1230579 \| PRO...) Show SMILES OP(O)(=O)CCCP(O)(O)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Theoretical Studies gGmbH Curated by ChEMBL					Assay Description Inhibition of human Thymidylate synthase by noncompetitive binding				J Med Chem 53: 6539-49 (2010) Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S
Institute of Theoretical Studies gGmbH Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50326712 (2(R)-[4(S)-carboxy-4-[4-[N-(2-hydroxymethyl-4-oxo-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Theoretical Studies gGmbH Curated by ChEMBL					Assay Description Inhibition of ERalpha expressed in human tumor cells				J Med Chem 53: 6539-49 (2010) Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S
Institute of Theoretical Studies gGmbH Curated by ChEMBL					More data for this Ligand-Target Pair
Thymidylate synthase (Homo sapiens (Human))	BDBM50326712 (2(R)-[4(S)-carboxy-4-[4-[N-(2-hydroxymethyl-4-oxo-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Theoretical Studies gGmbH Curated by ChEMBL					Assay Description Inhibition of thymidin synthase				J Med Chem 53: 6539-49 (2010) Article DOI: 10.1021/jm901869w BindingDB Entry DOI: 10.7270/Q24J0F9S
Institute of Theoretical Studies gGmbH Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM79214 (1-[1,3-bis(chloranyl)-6-(trifluoromethyl)phenanthr...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid UniChem Similars	DrugBank Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human cloned ERG				J Med Chem 52: 1408-15 (2010) Article DOI: 10.1021/jm8012618 BindingDB Entry DOI: 10.7270/Q2348KCX
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81714 (LpxC Inhibitor, L15) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
National Institute of Pharmaceutical Education and Research					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81705 (LpxC Inhibitor, L6) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
National Institute of Pharmaceutical Education and Research					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50247629 (CHEMBL453384 \| N-(3-((tert-butylamino)methyl)-4-fl...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 52: 1828-44 (2009) Article DOI: 10.1021/jm8012757 BindingDB Entry DOI: 10.7270/Q21Z45C3
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81700 (LpxC Inhibitor, L1) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
National Institute of Pharmaceutical Education and Research					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81701 (LpxC Inhibitor, L2) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
National Institute of Pharmaceutical Education and Research					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81715 (LpxC Inhibitor, L16) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
National Institute of Pharmaceutical Education and Research					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81709 (LpxC Inhibitor, L10) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
National Institute of Pharmaceutical Education and Research					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81702 (LpxC Inhibitor, L3) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
National Institute of Pharmaceutical Education and Research					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81703 (LpxC Inhibitor, L4) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
National Institute of Pharmaceutical Education and Research					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50041457 (4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...) Show SMILES CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human cloned ERG				J Med Chem 52: 1408-15 (2010) Article DOI: 10.1021/jm8012618 BindingDB Entry DOI: 10.7270/Q2348KCX
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM22985 (Aralen \| CHEMBL76 \| CHLOROQUINE PHOSPHATE \| Chloro...) Show SMILES CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human cloned ERG				J Med Chem 52: 1408-15 (2010) Article DOI: 10.1021/jm8012618 BindingDB Entry DOI: 10.7270/Q2348KCX
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50041457 (4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...) Show SMILES CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human CYP2C8				J Med Chem 52: 1828-44 (2009) Article DOI: 10.1021/jm8012757 BindingDB Entry DOI: 10.7270/Q21Z45C3
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50041457 (4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...) Show SMILES CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C8				J Med Chem 52: 1408-15 (2010) Article DOI: 10.1021/jm8012618 BindingDB Entry DOI: 10.7270/Q2348KCX
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50134936 (2-(tert-Butylamino-methyl)-5-(7-chloro-quinolin-4-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				J Med Chem 52: 1408-15 (2010) Article DOI: 10.1021/jm8012618 BindingDB Entry DOI: 10.7270/Q2348KCX
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50134934 (5-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...) Show SMILES CCNCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				J Med Chem 52: 1408-15 (2010) Article DOI: 10.1021/jm8012618 BindingDB Entry DOI: 10.7270/Q2348KCX
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50134931 (5-(7-Chloro-quinolin-4-ylamino)-2-diethylaminometh...) Show SMILES CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human cloned ERG				J Med Chem 52: 1408-15 (2010) Article DOI: 10.1021/jm8012618 BindingDB Entry DOI: 10.7270/Q2348KCX
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81707 (CS273 \| LpxC Inhibitor, L8) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
National Institute of Pharmaceutical Education and Research					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81708 (LpxC Inhibitor, L9) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
National Institute of Pharmaceutical Education and Research					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50041457 (4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...) Show SMILES CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				J Med Chem 52: 1408-15 (2010) Article DOI: 10.1021/jm8012618 BindingDB Entry DOI: 10.7270/Q2348KCX
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50041457 (4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...) Show SMILES CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 52: 1828-44 (2009) Article DOI: 10.1021/jm8012757 BindingDB Entry DOI: 10.7270/Q21Z45C3
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50056190 (4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...) Show SMILES CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 52: 1828-44 (2009) Article DOI: 10.1021/jm8012757 BindingDB Entry DOI: 10.7270/Q21Z45C3
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50056190 (4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...) Show SMILES CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				J Med Chem 52: 1408-15 (2010) Article DOI: 10.1021/jm8012618 BindingDB Entry DOI: 10.7270/Q2348KCX
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50134931 (5-(7-Chloro-quinolin-4-ylamino)-2-diethylaminometh...) Show SMILES CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human CYP2D6				J Med Chem 52: 1828-44 (2009) Article DOI: 10.1021/jm8012757 BindingDB Entry DOI: 10.7270/Q21Z45C3
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50134931 (5-(7-Chloro-quinolin-4-ylamino)-2-diethylaminometh...) Show SMILES CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2D6				J Med Chem 52: 1408-15 (2010) Article DOI: 10.1021/jm8012618 BindingDB Entry DOI: 10.7270/Q2348KCX
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50134936 (2-(tert-Butylamino-methyl)-5-(7-chloro-quinolin-4-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human cloned ERG				J Med Chem 52: 1408-15 (2010) Article DOI: 10.1021/jm8012618 BindingDB Entry DOI: 10.7270/Q2348KCX
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50134934 (5-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...) Show SMILES CCNCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O Show InChI	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	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				J Med Chem 52: 1408-15 (2010) Article DOI: 10.1021/jm8012618 BindingDB Entry DOI: 10.7270/Q2348KCX
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50247629 (CHEMBL453384 \| N-(3-((tert-butylamino)methyl)-4-fl...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				J Med Chem 52: 1828-44 (2009) Article DOI: 10.1021/jm8012757 BindingDB Entry DOI: 10.7270/Q21Z45C3
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50056190 (4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...) Show SMILES CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human cloned ERG				J Med Chem 52: 1408-15 (2010) Article DOI: 10.1021/jm8012618 BindingDB Entry DOI: 10.7270/Q2348KCX
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50247629 (CHEMBL453384 \| N-(3-((tert-butylamino)methyl)-4-fl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human CYP2C8				J Med Chem 52: 1828-44 (2009) Article DOI: 10.1021/jm8012757 BindingDB Entry DOI: 10.7270/Q21Z45C3
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81710 (LpxC Inhibitor, L11) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
National Institute of Pharmaceutical Education and Research					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81711 (LpxC Inhibitor, L12) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
National Institute of Pharmaceutical Education and Research					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50134931 (5-(7-Chloro-quinolin-4-ylamino)-2-diethylaminometh...) Show SMILES CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C8				J Med Chem 52: 1408-15 (2010) Article DOI: 10.1021/jm8012618 BindingDB Entry DOI: 10.7270/Q2348KCX
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81704 (LpxC Inhibitor, L5) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
National Institute of Pharmaceutical Education and Research					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50134931 (5-(7-Chloro-quinolin-4-ylamino)-2-diethylaminometh...) Show SMILES CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human CYP2C8				J Med Chem 52: 1828-44 (2009) Article DOI: 10.1021/jm8012757 BindingDB Entry DOI: 10.7270/Q21Z45C3
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50041457 (4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...) Show SMILES CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human CYP1A2				J Med Chem 52: 1828-44 (2009) Article DOI: 10.1021/jm8012757 BindingDB Entry DOI: 10.7270/Q21Z45C3
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50041457 (4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)...) Show SMILES CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				J Med Chem 52: 1408-15 (2010) Article DOI: 10.1021/jm8012618 BindingDB Entry DOI: 10.7270/Q2348KCX
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
UDP-3-O-acyl-N-acetylglucosamine deacetylase (Pseudomonas aeruginosa)	BDBM81713 (LpxC Inhibitor, L14) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research					Assay Description The LpxC inhibitors were used as the reference for development of flexible alignment-based pharamcophore, pharamcophore mapping study.				Chem Biol Drug Des 71: 45-56 (2008) Article DOI: 10.1111/j.1747-0285.2007.00608.x BindingDB Entry DOI: 10.7270/Q2K64GJF
National Institute of Pharmaceutical Education and Research					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50056190 (4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...) Show SMILES CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C8				J Med Chem 52: 1408-15 (2010) Article DOI: 10.1021/jm8012618 BindingDB Entry DOI: 10.7270/Q2348KCX
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50056190 (4-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...) Show SMILES CCNCc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human CYP2C8				J Med Chem 52: 1828-44 (2009) Article DOI: 10.1021/jm8012757 BindingDB Entry DOI: 10.7270/Q21Z45C3
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50134934 (5-(7-Chloro-quinolin-4-ylamino)-2-ethylaminomethyl...) Show SMILES CCNCc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C8				J Med Chem 52: 1408-15 (2010) Article DOI: 10.1021/jm8012618 BindingDB Entry DOI: 10.7270/Q2348KCX
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50134936 (2-(tert-Butylamino-methyl)-5-(7-chloro-quinolin-4-...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP2C8				J Med Chem 52: 1408-15 (2010) Article DOI: 10.1021/jm8012618 BindingDB Entry DOI: 10.7270/Q2348KCX
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50134931 (5-(7-Chloro-quinolin-4-ylamino)-2-diethylaminometh...) Show SMILES CCN(CC)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human recombinant CYP1A2				J Med Chem 52: 1408-15 (2010) Article DOI: 10.1021/jm8012618 BindingDB Entry DOI: 10.7270/Q2348KCX
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair

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