BindingDB PrimarySearch

Found 107 hits with Last Name = 'o''neill' and Initial = 'pm'
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
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of Cyclophilin D (unknown origin) activity in absence of detergent				J Med Chem 59: 2596-611 (2016) Article DOI: 10.1021/acs.jmedchem.5b01801 BindingDB Entry DOI: 10.7270/Q2474CR6
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50164666 (CHEMBL3799661) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	99	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of Cyclophilin D (unknown origin) activity preincubated for 15 mins followed Suc-AAPF-pNA substrate addition by chymotrypsin coupled based...				J Med Chem 59: 2596-611 (2016) Article DOI: 10.1021/acs.jmedchem.5b01801 BindingDB Entry DOI: 10.7270/Q2474CR6
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50164670 (CHEMBL3799597) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of Cyclophilin D (unknown origin) activity preincubated for 15 mins followed Suc-AAPF-pNA substrate addition by chymotrypsin coupled based...				J Med Chem 59: 2596-611 (2016) Article DOI: 10.1021/acs.jmedchem.5b01801 BindingDB Entry DOI: 10.7270/Q2474CR6
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50164674 (CHEMBL3799875) Show SMILES CCOC(=O)CNC(=O)NCc1ccc(NC(C)=O)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of Cyclophilin D (unknown origin) activity preincubated for 15 mins followed Suc-AAPF-pNA substrate addition by chymotrypsin coupled based...				J Med Chem 59: 2596-611 (2016) Article DOI: 10.1021/acs.jmedchem.5b01801 BindingDB Entry DOI: 10.7270/Q2474CR6
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50164673 (CHEMBL3797905) Show SMILES Nc1ccc(CNC(=O)NCC(=O)N2CCCC2)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of Cyclophilin D (unknown origin) activity preincubated for 15 mins followed Suc-AAPF-pNA substrate addition by chymotrypsin coupled based...				J Med Chem 59: 2596-611 (2016) Article DOI: 10.1021/acs.jmedchem.5b01801 BindingDB Entry DOI: 10.7270/Q2474CR6
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM139995 (US8901295, F428) Show SMILES CCOC(=O)CNC(=O)NCc1ccc(N)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of Cyclophilin D (unknown origin) activity preincubated for 15 mins followed Suc-AAPF-pNA substrate addition by chymotrypsin coupled based...				J Med Chem 59: 2596-611 (2016) Article DOI: 10.1021/acs.jmedchem.5b01801 BindingDB Entry DOI: 10.7270/Q2474CR6
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM139995 (US8901295, F428) Show SMILES CCOC(=O)CNC(=O)NCc1ccc(N)cc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of Cyclophilin D (unknown origin) activity in absence of detergent				J Med Chem 59: 2596-611 (2016) Article DOI: 10.1021/acs.jmedchem.5b01801 BindingDB Entry DOI: 10.7270/Q2474CR6
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50164669 (CHEMBL3798305) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of Cyclophilin D (unknown origin) activity preincubated for 15 mins followed Suc-AAPF-pNA substrate addition by chymotrypsin coupled based...				J Med Chem 59: 2596-611 (2016) Article DOI: 10.1021/acs.jmedchem.5b01801 BindingDB Entry DOI: 10.7270/Q2474CR6
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50164671 (CHEMBL3798030) Show SMILES CCOC(=O)CNC(=O)NCc1cccc(c1)-c1ccncc1N Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of Cyclophilin D (unknown origin) activity preincubated for 15 mins followed Suc-AAPF-pNA substrate addition by chymotrypsin coupled based...				J Med Chem 59: 2596-611 (2016) Article DOI: 10.1021/acs.jmedchem.5b01801 BindingDB Entry DOI: 10.7270/Q2474CR6
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Peptidyl-prolyl cis-trans isomerase D (Homo sapiens (Human))	BDBM50164665 (CHEMBL3797675) Show SMILES CCOC(=O)CNC(=O)NCc1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	6.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of Cyclophilin D (unknown origin) activity preincubated for 15 mins followed Suc-AAPF-pNA substrate addition by chymotrypsin coupled based...				J Med Chem 59: 2596-611 (2016) Article DOI: 10.1021/acs.jmedchem.5b01801 BindingDB Entry DOI: 10.7270/Q2474CR6
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair
Falcipain 2 (Plasmodium falciparum)	BDBM50243232 (CHEMBL486232 \| GNF-PF-5434 \| N-((S)-4-methyl-1-oxo...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Algarve Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain 2				Bioorg Med Chem Lett 18: 4210-4 (2008) Article DOI: 10.1016/j.bmcl.2008.05.068 BindingDB Entry DOI: 10.7270/Q27H1JDB
University of Algarve Curated by ChEMBL					More data for this Ligand-Target Pair
Dipeptidyl peptidase 4 (Homo sapiens (Human))	BDBM50113463 (CHEMBL537586) Show SMILES 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	9	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of DPP4 (unknown origin)				J Med Chem 58: 6448-55 (2015) Article DOI: 10.1021/acs.jmedchem.5b00434 BindingDB Entry DOI: 10.7270/Q2N018BP
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cysteine protease falcipain-3 [5-492] (Plasmodium falciparum)	BDBM50243232 (CHEMBL486232 \| GNF-PF-5434 \| N-((S)-4-methyl-1-oxo...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Algarve Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain 3				Bioorg Med Chem Lett 18: 4210-4 (2008) Article DOI: 10.1016/j.bmcl.2008.05.068 BindingDB Entry DOI: 10.7270/Q27H1JDB
University of Algarve 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
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
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 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))	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 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
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 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))	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))	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
Falcipain 2 (Plasmodium falciparum)	BDBM50243177 ((S)-benzyl 2-oxo-1-(1-oxo-4-phenylbutan-2-yl)-1,2-...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Algarve Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain 2				Bioorg Med Chem Lett 18: 4210-4 (2008) Article DOI: 10.1016/j.bmcl.2008.05.068 BindingDB Entry DOI: 10.7270/Q27H1JDB
University of Algarve Curated by ChEMBL					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
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 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))	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
Falcipain 2 (Plasmodium falciparum)	BDBM50243178 ((S)-methyl 4-(3-(benzyloxycarbonyl)-2-oxopyridin-1...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Algarve Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain 2				Bioorg Med Chem Lett 18: 4210-4 (2008) Article DOI: 10.1016/j.bmcl.2008.05.068 BindingDB Entry DOI: 10.7270/Q27H1JDB
University of Algarve 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 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 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 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 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 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 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
Cytochrome P450 3A4 (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	2.40E+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 CYP3A4 using N-N,diethyl-formamide as substrate				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 3A4 (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	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 using DEF substrate				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 2C19 (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	2.40E+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 CYP2C19				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
Cysteine protease falcipain-3 [5-492] (Plasmodium falciparum)	BDBM50243178 ((S)-methyl 4-(3-(benzyloxycarbonyl)-2-oxopyridin-1...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Algarve Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant falcipain 3				Bioorg Med Chem Lett 18: 4210-4 (2008) Article DOI: 10.1016/j.bmcl.2008.05.068 BindingDB Entry DOI: 10.7270/Q27H1JDB
University of Algarve Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50265389 (CHEMBL4080076) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
University of Liverpool Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 60: 3703-3726 (2017) Article DOI: 10.1021/acs.jmedchem.6b01718 BindingDB Entry DOI: 10.7270/Q280553D
University of Liverpool Curated by ChEMBL					More data for this Ligand-Target Pair

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