Compile Data Set for Download or QSAR

Found 256 hits with Last Name = 'barker' and Initial = 'r'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM50150119 (CHEMBL3769414) Show SMILES [H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(cc3)-c3cccc(F)n3)nc12 |r,c:9| Show InChI InChI=1S/C29H26FN7O/c1-35-28(38)25-26(31-20-7-3-2-4-8-20)36(34-27(25)37-23-11-5-10-22(23)33-29(35)37)17-18-13-15-19(16-14-18)21-9-6-12-24(30)32-21/h2-4,6-9,12-16,22-23,31H,5,10-11,17H2,1H3/t22-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.0580	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of PDE1B (unknown origin)				J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3
					More data for this Ligand-Target Pair				3D Structure (crystal)
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (Homo sapiens)	BDBM50561654 (CHEMBL4785914) Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(F)(F)F)C(F)(F)F |r| Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00120 BindingDB Entry DOI: 10.7270/Q2ZG6WX8
					More data for this Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (Homo sapiens)	BDBM50561654 (CHEMBL4785914) Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(F)(F)F)C(F)(F)F |r| Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00120 BindingDB Entry DOI: 10.7270/Q2ZG6WX8
					More data for this Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (Mus musculus)	BDBM50561654 (CHEMBL4785914) Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(F)(F)F)C(F)(F)F |r| Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse UGT8 assessed as redcution in GalCer accumulation				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00120 BindingDB Entry DOI: 10.7270/Q2ZG6WX8
					More data for this Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (Mus musculus)	BDBM50561654 (CHEMBL4785914) Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)COC(F)(F)F)C(F)(F)F |r| Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse UGT8 assessed as redcution in SFT accumulation				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00120 BindingDB Entry DOI: 10.7270/Q2ZG6WX8
					More data for this Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (Homo sapiens)	BDBM50561671 (CHEMBL4796521) Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)NCCOC(F)(F)F)C(F)(F)F Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00120 BindingDB Entry DOI: 10.7270/Q2ZG6WX8
					More data for this Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (Homo sapiens)	BDBM50561669 (CHEMBL4787939) Show SMILES CC[C@H](C)NC(=O)OC1CCN(CC1)c1cc(c2scc(C(=O)NC)c2n1)C(F)(F)F |r| Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00120 BindingDB Entry DOI: 10.7270/Q2ZG6WX8
					More data for this Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (Homo sapiens)	BDBM50561671 (CHEMBL4796521) Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)NCCOC(F)(F)F)C(F)(F)F Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00120 BindingDB Entry DOI: 10.7270/Q2ZG6WX8
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (Homo sapiens)	BDBM50561670 (CHEMBL4750073) Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)C1CC1)C(F)(F)F |r| Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00120 BindingDB Entry DOI: 10.7270/Q2ZG6WX8
					More data for this Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (Homo sapiens)	BDBM50561669 (CHEMBL4787939) Show SMILES CC[C@H](C)NC(=O)OC1CCN(CC1)c1cc(c2scc(C(=O)NC)c2n1)C(F)(F)F |r| Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00120 BindingDB Entry DOI: 10.7270/Q2ZG6WX8
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM25142 ((3S,6S,9S,15aR)-9-[(2R)-butan-2-yl]-6-[(1-methoxy-...) Show SMILES CCC(C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22?,26-,27-,29+,30-/m0/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (Homo sapiens)	BDBM50561664 (CHEMBL4776963) Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)NCC1CC1)C(F)(F)F Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00120 BindingDB Entry DOI: 10.7270/Q2ZG6WX8
					More data for this Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (Homo sapiens)	BDBM50561670 (CHEMBL4750073) Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)C1CC1)C(F)(F)F |r| Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00120 BindingDB Entry DOI: 10.7270/Q2ZG6WX8
					More data for this Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (Homo sapiens)	BDBM50561672 (CHEMBL4750432) Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N1CC(C1)OC(F)(F)F)C(F)(F)F Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00120 BindingDB Entry DOI: 10.7270/Q2ZG6WX8
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (Homo sapiens)	BDBM50561663 (CHEMBL4765010) Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)NC(C)C)C(F)(F)F Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00120 BindingDB Entry DOI: 10.7270/Q2ZG6WX8
					More data for this Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (Homo sapiens)	BDBM50561663 (CHEMBL4765010) Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)NC(C)C)C(F)(F)F Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00120 BindingDB Entry DOI: 10.7270/Q2ZG6WX8
					More data for this Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (Homo sapiens)	BDBM50561672 (CHEMBL4750432) Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N1CC(C1)OC(F)(F)F)C(F)(F)F Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00120 BindingDB Entry DOI: 10.7270/Q2ZG6WX8
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM289647 (11,11-Difluoro-6-(4-methoxybenzyl)-9-((tetrahydro-...) Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CC(F)(F)c4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C24H25F2N5O3S/c1-33-17-4-2-15(3-5-17)11-30-22-19(21-27-14-28-31(21)23(30)32)20-18(35-22)12-29(13-24(20,25)26)10-16-6-8-34-9-7-16/h2-5,14,16H,6-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibitory activity against chymotrypsinogen; Range 1-10 uM				J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3
					More data for this Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (Homo sapiens)	BDBM50561664 (CHEMBL4776963) Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)NCC1CC1)C(F)(F)F Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00120 BindingDB Entry DOI: 10.7270/Q2ZG6WX8
					More data for this Ligand-Target Pair
Prolyl hydroxylase EGLN2 (Homo sapiens (Human))	BDBM50239931 (CHEMBL4067995 | US10287286, Example 142) Show SMILES CC(=O)Nc1cc(-c2ccc(cc2)C#N)n2ncnc2c1 Show InChI InChI=1S/C15H11N5O/c1-10(21)19-13-6-14(20-15(7-13)17-9-18-20)12-4-2-11(8-16)3-5-12/h2-7,9H,1H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Inc. Curated by ChEMBL					Assay Description Inhibition of full length HIF-PHD1 (unknown origin) expressed in baculovirus infected sf9 cells using DLDLEMLAPYIPMDDDFQL/2-Oxoglutarate as substrate...				J Med Chem 60: 5663-5672 (2017) Article DOI: 10.1021/acs.jmedchem.7b00352 BindingDB Entry DOI: 10.7270/Q2GQ70XZ
					More data for this Ligand-Target Pair
Prolyl hydroxylase EGLN2 (Homo sapiens (Human))	BDBM50239883 (CHEMBL4090769 | US10287286, Example 5) Show SMILES Fc1cc(ccc1C#N)-c1cccc2ncnn12 Show InChI InChI=1S/C13H7FN4/c14-11-6-9(4-5-10(11)7-15)12-2-1-3-13-16-8-17-18(12)13/h1-6,8H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Inc. Curated by ChEMBL					Assay Description Inhibition of full length HIF-PHD1 (unknown origin) expressed in baculovirus infected sf9 cells using DLDLEMLAPYIPMDDDFQL/2-Oxoglutarate as substrate...				J Med Chem 60: 5663-5672 (2017) Article DOI: 10.1021/acs.jmedchem.7b00352 BindingDB Entry DOI: 10.7270/Q2GQ70XZ
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM289671 (9-(2,2-Difluorocyclopropanecarbonyl)-6-(4-methoxyb...) Show SMILES COc1ccc(Cn2c3sc4CN(CCc4c3c3ncnn3c2=O)C(=O)C2CC2(F)F)cc1 Show InChI InChI=1S/C22H19F2N5O3S/c1-32-13-4-2-12(3-5-13)9-28-20-17(18-25-11-26-29(18)21(28)31)14-6-7-27(10-16(14)33-20)19(30)15-8-22(15,23)24/h2-5,11,15H,6-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged PDE1B (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP ...				J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3
					More data for this Ligand-Target Pair
Prolyl hydroxylase EGLN2 (Homo sapiens (Human))	BDBM50239889 (CHEMBL4072842 | US10287286, Example 100) Show SMILES Nc1cc(-c2ccc(cc2)C#N)n2ncnc2c1 Show InChI InChI=1S/C13H9N5/c14-7-9-1-3-10(4-2-9)12-5-11(15)6-13-16-8-17-18(12)13/h1-6,8H,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Inc. Curated by ChEMBL					Assay Description Inhibition of full length HIF-PHD1 (unknown origin) expressed in baculovirus infected sf9 cells using DLDLEMLAPYIPMDDDFQL/2-Oxoglutarate as substrate...				J Med Chem 60: 5663-5672 (2017) Article DOI: 10.1021/acs.jmedchem.7b00352 BindingDB Entry DOI: 10.7270/Q2GQ70XZ
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29602 (benzylidenehydrazine derivative, 19) Show SMILES ONC(=O)CCCCCC(=O)NN=Cc1ccc(cc1)-n1ccnc1 |w:13.13| Show InChI InChI=1S/C17H21N5O3/c23-16(4-2-1-3-5-17(24)21-25)20-19-12-14-6-8-15(9-7-14)22-11-10-18-13-22/h6-13,25H,1-5H2,(H,20,23)(H,21,24)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (Homo sapiens)	BDBM50561665 (CHEMBL4755797) Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)NC(=O)OCC1CC1)C(F)(F)F Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00120 BindingDB Entry DOI: 10.7270/Q2ZG6WX8
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29593 (benzylidenehydrazine derivative, 10) Show SMILES ONC(=O)CCCCCC(=O)NN=Cc1cc2OCOc2cc1Br |w:13.13| Show InChI InChI=1S/C15H18BrN3O5/c16-11-7-13-12(23-9-24-13)6-10(11)8-17-18-14(20)4-2-1-3-5-15(21)19-22/h6-8,22H,1-5,9H2,(H,18,20)(H,19,21)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29595 (benzylidenehydrazine derivative, 12) Show SMILES COc1ccc(Br)c(C=NNC(=O)CCCCCC(=O)NO)c1 |w:8.7| Show InChI InChI=1S/C15H20BrN3O4/c1-23-12-7-8-13(16)11(9-12)10-17-18-14(20)5-3-2-4-6-15(21)19-22/h7-10,22H,2-6H2,1H3,(H,18,20)(H,19,21)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Prolyl hydroxylase EGLN2 (Homo sapiens (Human))	BDBM50239888 (CHEMBL4094292 | US10287286, Example 103) Show SMILES CCNc1cc(-c2ccc(cc2)C#N)n2ncnc2c1 Show InChI InChI=1S/C15H13N5/c1-2-17-13-7-14(20-15(8-13)18-10-19-20)12-5-3-11(9-16)4-6-12/h3-8,10,17H,2H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Inc. Curated by ChEMBL					Assay Description Inhibition of full length HIF-PHD1 (unknown origin) expressed in baculovirus infected sf9 cells using DLDLEMLAPYIPMDDDFQL/2-Oxoglutarate as substrate...				J Med Chem 60: 5663-5672 (2017) Article DOI: 10.1021/acs.jmedchem.7b00352 BindingDB Entry DOI: 10.7270/Q2GQ70XZ
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM289653 (6-(2-Fluoro-4-methoxybenzyl)-9-((tetrahydro-2H-pyr...) Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CCc4c3c3ncnn3c2=O)c(F)c1 Show InChI InChI=1S/C24H26FN5O3S/c1-32-17-3-2-16(19(25)10-17)12-29-23-21(22-26-14-27-30(22)24(29)31)18-4-7-28(13-20(18)34-23)11-15-5-8-33-9-6-15/h2-3,10,14-15H,4-9,11-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged PDE1B (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP ...				J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM289621 (6-(4-Methoxybenzyl)-9-((tetrahydro-2H-pyran-4-yl)m...) Show SMILES COc1ccc(Cn2c3sc4CN(CC5CCOCC5)CCc4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C24H27N5O3S/c1-31-18-4-2-16(3-5-18)13-28-23-21(22-25-15-26-29(22)24(28)30)19-6-9-27(14-20(19)33-23)12-17-7-10-32-11-8-17/h2-5,15,17H,6-14H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged PDE1B (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP ...				J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM289641 (6-(4-Chloro-2-fluorobenzyl)-9-((tetrahydro-2H-pyra...) Show SMILES Fc1cc(Cl)ccc1Cn1c2sc3CN(CC4CCOCC4)CCc3c2c2ncnn2c1=O Show InChI InChI=1S/C23H23ClFN5O2S/c24-16-2-1-15(18(25)9-16)11-29-22-20(21-26-13-27-30(21)23(29)31)17-3-6-28(12-19(17)33-22)10-14-4-7-32-8-5-14/h1-2,9,13-14H,3-8,10-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged PDE1B (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP ...				J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3
					More data for this Ligand-Target Pair
Prolyl hydroxylase EGLN2 (Homo sapiens (Human))	BDBM50239915 (CHEMBL4067559 | US10287286, Example 6) Show SMILES Fc1cc(cc(F)c1C#N)-c1cccc2ncnn12 Show InChI InChI=1S/C13H6F2N4/c14-10-4-8(5-11(15)9(10)6-16)12-2-1-3-13-17-7-18-19(12)13/h1-5,7H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Inc. Curated by ChEMBL					Assay Description Inhibition of full length HIF-PHD1 (unknown origin) expressed in baculovirus infected sf9 cells using DLDLEMLAPYIPMDDDFQL/2-Oxoglutarate as substrate...				J Med Chem 60: 5663-5672 (2017) Article DOI: 10.1021/acs.jmedchem.7b00352 BindingDB Entry DOI: 10.7270/Q2GQ70XZ
					More data for this Ligand-Target Pair
Prolyl hydroxylase EGLN2 (Homo sapiens (Human))	BDBM50239937 (CHEMBL4083851 | US10287286, Example 3) Show SMILES N#Cc1ccc(cc1)-c1cccc2ncnn12 Show InChI InChI=1S/C13H8N4/c14-8-10-4-6-11(7-5-10)12-2-1-3-13-15-9-16-17(12)13/h1-7,9H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Inc. Curated by ChEMBL					Assay Description Inhibition of full length HIF-PHD1 (unknown origin) expressed in baculovirus infected sf9 cells using DLDLEMLAPYIPMDDDFQL/2-Oxoglutarate as substrate...				J Med Chem 60: 5663-5672 (2017) Article DOI: 10.1021/acs.jmedchem.7b00352 BindingDB Entry DOI: 10.7270/Q2GQ70XZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29603 (benzylidenehydrazine derivative, 20) Show SMILES ONC(=O)CCCCCC(=O)NN=Cc1cccnc1Br |w:13.13| Show InChI InChI=1S/C13H17BrN4O3/c14-13-10(5-4-8-15-13)9-16-17-11(19)6-2-1-3-7-12(20)18-21/h4-5,8-9,21H,1-3,6-7H2,(H,17,19)(H,18,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29599 (benzylidenehydrazine derivative, 16) Show SMILES ONC(=O)CCCCCC(=O)NN=Cc1ccccc1Br |w:13.13| Show InChI InChI=1S/C14H18BrN3O3/c15-12-7-5-4-6-11(12)10-16-17-13(19)8-2-1-3-9-14(20)18-21/h4-7,10,21H,1-3,8-9H2,(H,17,19)(H,18,20)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29596 (benzylidenehydrazine derivative, 13) Show SMILES CN(C)c1ccc(C=NNC(=O)CCCCCC(=O)NO)c(O)c1 |w:7.6| Show InChI InChI=1S/C16H24N4O4/c1-20(2)13-9-8-12(14(21)10-13)11-17-18-15(22)6-4-3-5-7-16(23)19-24/h8-11,21,24H,3-7H2,1-2H3,(H,18,22)(H,19,23)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (Homo sapiens)	BDBM50561665 (CHEMBL4755797) Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)NC(=O)OCC1CC1)C(F)(F)F Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00120 BindingDB Entry DOI: 10.7270/Q2ZG6WX8
					More data for this Ligand-Target Pair
Prolyl hydroxylase EGLN2 (Homo sapiens (Human))	BDBM50239890 (CHEMBL4095005 | US10287286, Example 4) Show SMILES Cc1cc(-c2ccc(cc2)C#N)n2ncnc2c1 Show InChI InChI=1S/C14H10N4/c1-10-6-13(18-14(7-10)16-9-17-18)12-4-2-11(8-15)3-5-12/h2-7,9H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Inc. Curated by ChEMBL					Assay Description Inhibition of full length HIF-PHD1 (unknown origin) expressed in baculovirus infected sf9 cells using DLDLEMLAPYIPMDDDFQL/2-Oxoglutarate as substrate...				J Med Chem 60: 5663-5672 (2017) Article DOI: 10.1021/acs.jmedchem.7b00352 BindingDB Entry DOI: 10.7270/Q2GQ70XZ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50059033 ((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...) Show SMILES CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41 |t:5| Show InChI InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of human ERG				J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29597 (benzylidenehydrazine derivative, 14) Show SMILES ONC(=O)CCCCCC(=O)NN=Cc1c(O)ccc2ccccc12 |w:13.13| Show InChI InChI=1S/C18H21N3O4/c22-16-11-10-13-6-4-5-7-14(13)15(16)12-19-20-17(23)8-2-1-3-9-18(24)21-25/h4-7,10-12,22,25H,1-3,8-9H2,(H,20,23)(H,21,24)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM289617 (6-(4-Chlorobenzyl)-9-((tetrahydro-2H-pyran-4-yl)me...) Show SMILES Clc1ccc(Cn2c3sc4CN(CC5CCOCC5)CCc4c3c3ncnn3c2=O)cc1 Show InChI InChI=1S/C23H24ClN5O2S/c24-17-3-1-15(2-4-17)12-28-22-20(21-25-14-26-29(21)23(28)30)18-5-8-27(13-19(18)32-22)11-16-6-9-31-10-7-16/h1-4,14,16H,5-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibitory activity against chymotrypsinogen; Range 1-10 uM				J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29594 (benzylidenehydrazine derivative, 11) Show SMILES ONC(=O)CCCCCCC(=O)NN=Cc1c(O)cc(O)cc1O |w:14.14| Show InChI InChI=1S/C15H21N3O6/c19-10-7-12(20)11(13(21)8-10)9-16-17-14(22)5-3-1-2-4-6-15(23)18-24/h7-9,19-21,24H,1-6H2,(H,17,22)(H,18,23)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (Homo sapiens)	BDBM50561667 (CHEMBL4757982) Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CC(C1)NC(=O)OCC1CC1)C(F)(F)F Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of UGT8 in human OE19 cells assessed as redcution in GalCer accumulation measured after 72 hrs by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00120 BindingDB Entry DOI: 10.7270/Q2ZG6WX8
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29607 (benzylidenehydrazine derivative, 24) Show SMILES ONC(=O)CCCCC(=O)NN=Cc1ccc(cc1)B(O)O |w:12.12| Show InChI InChI=1S/C13H18BN3O5/c18-12(3-1-2-4-13(19)17-22)16-15-9-10-5-7-11(8-6-10)14(20)21/h5-9,20-22H,1-4H2,(H,16,18)(H,17,19)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
					More data for this Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (Homo sapiens (Human))	BDBM50059026 (5'-Methyl-2'-(biphenylmethyl)-3'-(phenylmethyl)spi...) Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccc(cc3)-c3ccccc3)n(Cc3ccccc3)c2C1=O |t:2| Show InChI InChI=1S/C32H31N5O/c1-35-30(38)28-29(37-22-32(34-31(35)37)18-8-9-19-32)33-27(36(28)21-24-10-4-2-5-11-24)20-23-14-16-26(17-15-23)25-12-6-3-7-13-25/h2-7,10-17H,8-9,18-22H2,1H3	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	48	n/a	n/a	n/a	n/a	n/a	n/a
Dart Neuroscience LLC Curated by ChEMBL					Assay Description Inhibition of full length GST-tagged PDE1B (unknown origin) assessed as decrease in FAM-cAMP hydrolysis preincubated for 5 mins followed by FAM-cAMP ...				J Med Chem 60: 3472-3483 (2017) Article DOI: 10.1021/acs.jmedchem.7b00302 BindingDB Entry DOI: 10.7270/Q2D79DP3
					More data for this Ligand-Target Pair
2-hydroxyacylsphingosine 1-beta-galactosyltransferase (Homo sapiens)	BDBM50561667 (CHEMBL4757982) Show SMILES CNC(=O)c1csc2c(cc(nc12)N1CC(C1)NC(=O)OCC1CC1)C(F)(F)F Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of UGT8 in human OE19 cells assessed as redcution in SFT accumulation measured after 72 hrs by LC-MS/MS analysis				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00120 BindingDB Entry DOI: 10.7270/Q2ZG6WX8
					More data for this Ligand-Target Pair
Histone deacetylase (Plasmodium falciparum (isolate 3D7))	BDBM29598 (benzylidenehydrazine derivative, 15) Show SMILES ONC(=O)CCCCCC(=O)NN=Cc1cc(O)ccc1Br |w:13.13| Show InChI InChI=1S/C14H18BrN3O4/c15-12-7-6-11(19)8-10(12)9-16-17-13(20)4-2-1-3-5-14(21)18-22/h6-9,19,22H,1-5H2,(H,17,20)(H,18,21)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	7.5	23
Harvard Medical School					Assay Description Recombinant pfHDAC-1 was assayed with substrate in the presence of test compound. The substrate concentration was kept constant at 125 uM while the c...				J Med Chem 52: 2185-7 (2009) Article DOI: 10.1021/jm801654y BindingDB Entry DOI: 10.7270/Q26H4FRD
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Prolyl hydroxylase EGLN2 (Homo sapiens (Human))	BDBM50239921 (CHEMBL4075128 | US10287286, Example 7) Show SMILES Fc1cc(ccc1-c1cccc2ncnn12)C#N Show InChI InChI=1S/C13H7FN4/c14-11-6-9(7-15)4-5-10(11)12-2-1-3-13-16-8-17-18(12)13/h1-6,8H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Takeda California Inc. Curated by ChEMBL					Assay Description Inhibition of full length HIF-PHD1 (unknown origin) expressed in baculovirus infected sf9 cells using DLDLEMLAPYIPMDDDFQL/2-Oxoglutarate as substrate...				J Med Chem 60: 5663-5672 (2017) Article DOI: 10.1021/acs.jmedchem.7b00352 BindingDB Entry DOI: 10.7270/Q2GQ70XZ
					More data for this Ligand-Target Pair

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