Compile Data Set for Download or QSAR

Found 185 hits with Last Name = 'alici' and Initial = 'b'   

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
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human))	BDBM50139137 (CHEMBL3759162) Show SMILES [Cl-].CCCCn1cc[n+](Cc2cc(=O)oc3cc(C)cc(C)c23)c1 Show InChI InChI=1S/C19H23N2O2.ClH/c1-4-5-6-20-7-8-21(13-20)12-16-11-18(22)23-17-10-14(2)9-15(3)19(16)17;/h7-11,13H,4-6,12H2,1-3H3;1H/q+1;/p-1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
In£n£ University Curated by ChEMBL					Assay Description Competitive inhibition of human serum PON1 using paraoxon as substrate by Lineweaver-Burk plot analysis				Bioorg Med Chem 24: 1392-401 (2016) Article DOI: 10.1016/j.bmc.2016.02.012 BindingDB Entry DOI: 10.7270/Q2FT8NWG
					More data for this Ligand-Target Pair
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human))	BDBM86068 (PPC) Show SMILES Cc1ccc(cc1)-c1cc2cc(O)c(O)cc2oc1=O Show InChI InChI=1S/C16H12O4/c1-9-2-4-10(5-3-9)12-6-11-7-13(17)14(18)8-15(11)20-16(12)19/h2-8,17-18H,1H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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
In£n£ University Curated by ChEMBL					Assay Description Inhibition of human serum PON1 using paraoxon as substrate by spectrophotometric analysis				Bioorg Med Chem 24: 1392-401 (2016) Article DOI: 10.1016/j.bmc.2016.02.012 BindingDB Entry DOI: 10.7270/Q2FT8NWG
					More data for this Ligand-Target Pair
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human))	BDBM50139137 (CHEMBL3759162) Show SMILES [Cl-].CCCCn1cc[n+](Cc2cc(=O)oc3cc(C)cc(C)c23)c1 Show InChI InChI=1S/C19H23N2O2.ClH/c1-4-5-6-20-7-8-21(13-20)12-16-11-18(22)23-17-10-14(2)9-15(3)19(16)17;/h7-11,13H,4-6,12H2,1-3H3;1H/q+1;/p-1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
In£n£ University Curated by ChEMBL					Assay Description Inhibition of human serum PON1 using paraoxon as substrate by spectrophotometric analysis				Bioorg Med Chem 24: 1392-401 (2016) Article DOI: 10.1016/j.bmc.2016.02.012 BindingDB Entry DOI: 10.7270/Q2FT8NWG
					More data for this Ligand-Target Pair
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human))	BDBM50144692 (CHEMBL3759251) Show SMILES [Cl-].O=C(C[n+]1cn(Cn2nnc3ccccc23)c2ccccc12)c1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C24H18N6O3.ClH/c31-22(16-9-10-23-18(11-16)25-24(32)13-33-23)12-28-14-29(21-8-4-3-7-20(21)28)15-30-19-6-2-1-5-17(19)26-27-30;/h1-11,14H,12-13,15H2;1H	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
In£n£ University Curated by ChEMBL					Assay Description Inhibition of human serum PON1 using paraoxon as substrate by spectrophotometric analysis				Bioorg Med Chem 24: 1392-401 (2016) Article DOI: 10.1016/j.bmc.2016.02.012 BindingDB Entry DOI: 10.7270/Q2FT8NWG
					More data for this Ligand-Target Pair
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human))	BDBM50144693 (CHEMBL3758983) Show SMILES [Cl-].Cn1cc[n+](Cc2nc3ccccc3[nH]2)c1 Show InChI InChI=1S/C12H13N4.ClH/c1-15-6-7-16(9-15)8-12-13-10-4-2-3-5-11(10)14-12;/h2-7,9H,8H2,1H3,(H,13,14);1H/q+1;/p-1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a
In£n£ University Curated by ChEMBL					Assay Description Inhibition of human serum PON1 using paraoxon as substrate by spectrophotometric analysis				Bioorg Med Chem 24: 1392-401 (2016) Article DOI: 10.1016/j.bmc.2016.02.012 BindingDB Entry DOI: 10.7270/Q2FT8NWG
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM237365 (1-(3,4,5-Trimethoxybenzyl)-3-(4-methyl-7,8-dihydro...) Show SMILES COc1cc(CN2CN(Cc3cc(=O)oc4c(O)c(O)ccc34)c3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C27H26N2O7/c1-33-22-10-16(11-23(34-2)27(22)35-3)13-28-15-29(20-7-5-4-6-19(20)28)14-17-12-24(31)36-26-18(17)8-9-21(30)25(26)32/h4-12,30,32H,13-15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.03E+4	n/a	n/a	n/a	n/a	10.0	n/a
Inonu University					Assay Description CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 ...				J Enzyme Inhib Med Chem 28: 299-304 (2013) Article DOI: 10.3109/14756366.2012.677838 BindingDB Entry DOI: 10.7270/Q2K0734K
					More data for this Ligand-Target Pair
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human))	BDBM50139133 (CHEMBL3759178) Show SMILES Cc1ccc2c(CCl)cc(=O)oc2c1C Show InChI InChI=1S/C12H11ClO2/c1-7-3-4-10-9(6-13)5-11(14)15-12(10)8(7)2/h3-5H,6H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
In£n£ University Curated by ChEMBL					Assay Description Inhibition of human serum PON1 using paraoxon as substrate by spectrophotometric analysis				Bioorg Med Chem 24: 1392-401 (2016) Article DOI: 10.1016/j.bmc.2016.02.012 BindingDB Entry DOI: 10.7270/Q2FT8NWG
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237362 (1-(3-Methylbenzyl)-3-(4-methyl-7,8-dihydroxy-2H-ch...) Show SMILES Cc1cccc(CN2CN(Cc3cc(=O)oc4c(O)c(O)ccc34)c3ccccc23)c1 Show InChI InChI=1S/C25H22N2O4/c1-16-5-4-6-17(11-16)13-26-15-27(21-8-3-2-7-20(21)26)14-18-12-23(29)31-25-19(18)9-10-22(28)24(25)30/h2-12,28,30H,13-15H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.21E+4	n/a	n/a	n/a	n/a	10.0	n/a
Inonu University					Assay Description CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 ...				J Enzyme Inhib Med Chem 28: 299-304 (2013) Article DOI: 10.3109/14756366.2012.677838 BindingDB Entry DOI: 10.7270/Q2K0734K
					More data for this Ligand-Target Pair
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human))	BDBM50139135 (CHEMBL3759775) Show SMILES [Cl-].Cc1cc(C)c2c(C[n+]3ccn(C)c3)cc(=O)oc2c1 Show InChI InChI=1S/C16H17N2O2.ClH/c1-11-6-12(2)16-13(8-15(19)20-14(16)7-11)9-18-5-4-17(3)10-18;/h4-8,10H,9H2,1-3H3;1H/q+1;/p-1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
In£n£ University Curated by ChEMBL					Assay Description Inhibition of human serum PON1 using paraoxon as substrate by spectrophotometric analysis				Bioorg Med Chem 24: 1392-401 (2016) Article DOI: 10.1016/j.bmc.2016.02.012 BindingDB Entry DOI: 10.7270/Q2FT8NWG
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237361 (1-Benzyl-3-(4-methyl-7,8-dihydroxy-2H-chromen-2-on...) Show SMILES Oc1ccc2c(CN3CN(Cc4ccccc4)c4ccccc34)cc(=O)oc2c1O Show InChI InChI=1S/C24H20N2O4/c27-21-11-10-18-17(12-22(28)30-24(18)23(21)29)14-26-15-25(13-16-6-2-1-3-7-16)19-8-4-5-9-20(19)26/h1-12,27,29H,13-15H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.56E+4	n/a	n/a	n/a	n/a	10.0	n/a
Inonu University					Assay Description CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 ...				J Enzyme Inhib Med Chem 28: 299-304 (2013) Article DOI: 10.3109/14756366.2012.677838 BindingDB Entry DOI: 10.7270/Q2K0734K
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237356 (1-Methyl-3-(4-methyl-7, 8-dihydroxy-2H-chromen-2-o...) Show SMILES CN1CN(Cc2cc(=O)oc3c(O)c(O)ccc23)c2ccccc12 Show InChI InChI=1S/C18H16N2O4/c1-19-10-20(14-5-3-2-4-13(14)19)9-11-8-16(22)24-18-12(11)6-7-15(21)17(18)23/h2-8,21,23H,9-10H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.86E+4	n/a	n/a	n/a	n/a	10.0	n/a
Inonu University					Assay Description CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 ...				J Enzyme Inhib Med Chem 28: 299-304 (2013) Article DOI: 10.3109/14756366.2012.677838 BindingDB Entry DOI: 10.7270/Q2K0734K
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM237362 (1-(3-Methylbenzyl)-3-(4-methyl-7,8-dihydroxy-2H-ch...) Show SMILES Cc1cccc(CN2CN(Cc3cc(=O)oc4c(O)c(O)ccc34)c3ccccc23)c1 Show InChI InChI=1S/C25H22N2O4/c1-16-5-4-6-17(11-16)13-26-15-27(21-8-3-2-7-20(21)26)14-18-12-23(29)31-25-19(18)9-10-22(28)24(25)30/h2-12,28,30H,13-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.89E+4	n/a	n/a	n/a	n/a	10.0	n/a
Inonu University					Assay Description CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 ...				J Enzyme Inhib Med Chem 28: 299-304 (2013) Article DOI: 10.3109/14756366.2012.677838 BindingDB Entry DOI: 10.7270/Q2K0734K
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM237364 (1-(2,3,4,5,6-Pentamethylbenzyl)-3-(4-methyl-7,8-di...) Show SMILES Cc1c(C)c(C)c(CN2CN(Cc3cc(=O)oc4c(O)c(O)ccc34)c3ccccc23)c(C)c1C Show InChI InChI=1S/C29H30N2O4/c1-16-17(2)19(4)23(20(5)18(16)3)14-31-15-30(24-8-6-7-9-25(24)31)13-21-12-27(33)35-29-22(21)10-11-26(32)28(29)34/h6-12,32,34H,13-15H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	10.0	n/a
Inonu University					Assay Description CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 ...				J Enzyme Inhib Med Chem 28: 299-304 (2013) Article DOI: 10.3109/14756366.2012.677838 BindingDB Entry DOI: 10.7270/Q2K0734K
					More data for this Ligand-Target Pair
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human))	BDBM50144739 (CHEMBL3759516) Show SMILES [Cl-].CCCCn1cc[n+](Cc2nc3ccccc3[nH]2)c1 Show InChI InChI=1S/C15H19N4.ClH/c1-2-3-8-18-9-10-19(12-18)11-15-16-13-6-4-5-7-14(13)17-15;/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,16,17);1H/q+1;/p-1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
In£n£ University Curated by ChEMBL					Assay Description Inhibition of human serum PON1 using paraoxon as substrate by spectrophotometric analysis				Bioorg Med Chem 24: 1392-401 (2016) Article DOI: 10.1016/j.bmc.2016.02.012 BindingDB Entry DOI: 10.7270/Q2FT8NWG
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237364 (1-(2,3,4,5,6-Pentamethylbenzyl)-3-(4-methyl-7,8-di...) Show SMILES Cc1c(C)c(C)c(CN2CN(Cc3cc(=O)oc4c(O)c(O)ccc34)c3ccccc23)c(C)c1C Show InChI InChI=1S/C29H30N2O4/c1-16-17(2)19(4)23(20(5)18(16)3)14-31-15-30(24-8-6-7-9-25(24)31)13-21-12-27(33)35-29-22(21)10-11-26(32)28(29)34/h6-12,32,34H,13-15H2,1-5H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.95E+4	n/a	n/a	n/a	n/a	10.0	n/a
Inonu University					Assay Description CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 ...				J Enzyme Inhib Med Chem 28: 299-304 (2013) Article DOI: 10.3109/14756366.2012.677838 BindingDB Entry DOI: 10.7270/Q2K0734K
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM237358 (1-Allyl-3-(4-methyl-7,8-dihydroxy-2H-chromen-2-one...) Show SMILES Oc1ccc2c(CN3CN(CC=C)c4ccccc34)cc(=O)oc2c1O Show InChI InChI=1S/C20H18N2O4/c1-2-9-21-12-22(16-6-4-3-5-15(16)21)11-13-10-18(24)26-20-14(13)7-8-17(23)19(20)25/h2-8,10,23,25H,1,9,11-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.97E+4	n/a	n/a	n/a	n/a	10.0	n/a
Inonu University					Assay Description CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 ...				J Enzyme Inhib Med Chem 28: 299-304 (2013) Article DOI: 10.3109/14756366.2012.677838 BindingDB Entry DOI: 10.7270/Q2K0734K
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237363 (1-(2,3,5,6-Tetramethylbenzyl)-3-(4-methyl-7,8-dihy...) Show SMILES Cc1cc(C)c(C)c(CN2CN(Cc3cc(=O)oc4c(O)c(O)ccc34)c3ccccc23)c1C Show InChI InChI=1S/C28H28N2O4/c1-16-11-17(2)19(4)22(18(16)3)14-30-15-29(23-7-5-6-8-24(23)30)13-20-12-26(32)34-28-21(20)9-10-25(31)27(28)33/h5-12,31,33H,13-15H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.12E+4	n/a	n/a	n/a	n/a	10.0	n/a
Inonu University					Assay Description CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 ...				J Enzyme Inhib Med Chem 28: 299-304 (2013) Article DOI: 10.3109/14756366.2012.677838 BindingDB Entry DOI: 10.7270/Q2K0734K
					More data for this Ligand-Target Pair
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human))	BDBM50139132 (CHEMBL1462074) Show SMILES Cc1cc(C)c2c(CCl)cc(=O)oc2c1 Show InChI InChI=1S/C12H11ClO2/c1-7-3-8(2)12-9(6-13)5-11(14)15-10(12)4-7/h3-5H,6H2,1-2H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
In£n£ University Curated by ChEMBL					Assay Description Inhibition of human serum PON1 using paraoxon as substrate by spectrophotometric analysis				Bioorg Med Chem 24: 1392-401 (2016) Article DOI: 10.1016/j.bmc.2016.02.012 BindingDB Entry DOI: 10.7270/Q2FT8NWG
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237359 (1-(2-Methoxyethyl)-3-(4-methyl-7,8-dihydroxy-2H-ch...) Show SMILES COCCN1CN(Cc2cc(=O)oc3c(O)c(O)ccc23)c2ccccc12 Show InChI InChI=1S/C20H20N2O5/c1-26-9-8-21-12-22(16-5-3-2-4-15(16)21)11-13-10-18(24)27-20-14(13)6-7-17(23)19(20)25/h2-7,10,23,25H,8-9,11-12H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.26E+4	n/a	n/a	n/a	n/a	10.0	n/a
Inonu University					Assay Description CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 ...				J Enzyme Inhib Med Chem 28: 299-304 (2013) Article DOI: 10.3109/14756366.2012.677838 BindingDB Entry DOI: 10.7270/Q2K0734K
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237360 (1-(2-Ethoxyethyl)-3-(4-methyl-7,8-dihydroxy-2H-chr...) Show SMILES CCOCCN1CN(Cc2cc(=O)oc3c(O)c(O)ccc23)c2ccccc12 Show InChI InChI=1S/C21H22N2O5/c1-2-27-10-9-22-13-23(17-6-4-3-5-16(17)22)12-14-11-19(25)28-21-15(14)7-8-18(24)20(21)26/h3-8,11,24,26H,2,9-10,12-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.29E+4	n/a	n/a	n/a	n/a	10.0	n/a
Inonu University					Assay Description CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 ...				J Enzyme Inhib Med Chem 28: 299-304 (2013) Article DOI: 10.3109/14756366.2012.677838 BindingDB Entry DOI: 10.7270/Q2K0734K
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237365 (1-(3,4,5-Trimethoxybenzyl)-3-(4-methyl-7,8-dihydro...) Show SMILES COc1cc(CN2CN(Cc3cc(=O)oc4c(O)c(O)ccc34)c3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C27H26N2O7/c1-33-22-10-16(11-23(34-2)27(22)35-3)13-28-15-29(20-7-5-4-6-19(20)28)14-17-12-24(31)36-26-18(17)8-9-21(30)25(26)32/h4-12,30,32H,13-15H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.31E+4	n/a	n/a	n/a	n/a	10.0	n/a
Inonu University					Assay Description CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 ...				J Enzyme Inhib Med Chem 28: 299-304 (2013) Article DOI: 10.3109/14756366.2012.677838 BindingDB Entry DOI: 10.7270/Q2K0734K
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM237360 (1-(2-Ethoxyethyl)-3-(4-methyl-7,8-dihydroxy-2H-chr...) Show SMILES CCOCCN1CN(Cc2cc(=O)oc3c(O)c(O)ccc23)c2ccccc12 Show InChI InChI=1S/C21H22N2O5/c1-2-27-10-9-22-13-23(17-6-4-3-5-16(17)22)12-14-11-19(25)28-21-15(14)7-8-18(24)20(21)26/h3-8,11,24,26H,2,9-10,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.32E+4	n/a	n/a	n/a	n/a	10.0	n/a
Inonu University					Assay Description CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 ...				J Enzyme Inhib Med Chem 28: 299-304 (2013) Article DOI: 10.3109/14756366.2012.677838 BindingDB Entry DOI: 10.7270/Q2K0734K
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM237363 (1-(2,3,5,6-Tetramethylbenzyl)-3-(4-methyl-7,8-dihy...) Show SMILES Cc1cc(C)c(C)c(CN2CN(Cc3cc(=O)oc4c(O)c(O)ccc34)c3ccccc23)c1C Show InChI InChI=1S/C28H28N2O4/c1-16-11-17(2)19(4)22(18(16)3)14-30-15-29(23-7-5-6-8-24(23)30)13-20-12-26(32)34-28-21(20)9-10-25(31)27(28)33/h5-12,31,33H,13-15H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.41E+4	n/a	n/a	n/a	n/a	10.0	n/a
Inonu University					Assay Description CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 ...				J Enzyme Inhib Med Chem 28: 299-304 (2013) Article DOI: 10.3109/14756366.2012.677838 BindingDB Entry DOI: 10.7270/Q2K0734K
					More data for this Ligand-Target Pair
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human))	BDBM50139134 (CHEMBL3758686) Show SMILES CC(C)(C)c1ccc2oc(=O)cc(CCl)c2c1 Show InChI InChI=1S/C14H15ClO2/c1-14(2,3)10-4-5-12-11(7-10)9(8-15)6-13(16)17-12/h4-7H,8H2,1-3H3	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
In£n£ University Curated by ChEMBL					Assay Description Inhibition of human serum PON1 using paraoxon as substrate by spectrophotometric analysis				Bioorg Med Chem 24: 1392-401 (2016) Article DOI: 10.1016/j.bmc.2016.02.012 BindingDB Entry DOI: 10.7270/Q2FT8NWG
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM237361 (1-Benzyl-3-(4-methyl-7,8-dihydroxy-2H-chromen-2-on...) Show SMILES Oc1ccc2c(CN3CN(Cc4ccccc4)c4ccccc34)cc(=O)oc2c1O Show InChI InChI=1S/C24H20N2O4/c27-21-11-10-18-17(12-22(28)30-24(18)23(21)29)14-26-15-25(13-16-6-2-1-3-7-16)19-8-4-5-9-20(19)26/h1-12,27,29H,13-15H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	10.0	n/a
Inonu University					Assay Description CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 ...				J Enzyme Inhib Med Chem 28: 299-304 (2013) Article DOI: 10.3109/14756366.2012.677838 BindingDB Entry DOI: 10.7270/Q2K0734K
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM237359 (1-(2-Methoxyethyl)-3-(4-methyl-7,8-dihydroxy-2H-ch...) Show SMILES COCCN1CN(Cc2cc(=O)oc3c(O)c(O)ccc23)c2ccccc12 Show InChI InChI=1S/C20H20N2O5/c1-26-9-8-21-12-22(16-5-3-2-4-15(16)21)11-13-10-18(24)27-20-14(13)6-7-17(23)19(20)25/h2-7,10,23,25H,8-9,11-12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.14E+4	n/a	n/a	n/a	n/a	10.0	n/a
Inonu University					Assay Description CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 ...				J Enzyme Inhib Med Chem 28: 299-304 (2013) Article DOI: 10.3109/14756366.2012.677838 BindingDB Entry DOI: 10.7270/Q2K0734K
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237358 (1-Allyl-3-(4-methyl-7,8-dihydroxy-2H-chromen-2-one...) Show SMILES Oc1ccc2c(CN3CN(CC=C)c4ccccc34)cc(=O)oc2c1O Show InChI InChI=1S/C20H18N2O4/c1-2-9-21-12-22(16-6-4-3-5-15(16)21)11-13-10-18(24)26-20-14(13)7-8-17(23)19(20)25/h2-8,10,23,25H,1,9,11-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.81E+4	n/a	n/a	n/a	n/a	10.0	n/a
Inonu University					Assay Description CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 ...				J Enzyme Inhib Med Chem 28: 299-304 (2013) Article DOI: 10.3109/14756366.2012.677838 BindingDB Entry DOI: 10.7270/Q2K0734K
					More data for this Ligand-Target Pair
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM237357 (1-(n-Butyl)-3-(4-methyl-7,8-dihydroxy-2H-chromen-2...) Show SMILES CCCCN1CN(Cc2cc(=O)oc3c(O)c(O)ccc23)c2ccccc12 Show InChI InChI=1S/C21H22N2O4/c1-2-3-10-22-13-23(17-7-5-4-6-16(17)22)12-14-11-19(25)27-21-15(14)8-9-18(24)20(21)26/h4-9,11,24,26H,2-3,10,12-13H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.93E+4	n/a	n/a	n/a	n/a	10.0	n/a
Inonu University					Assay Description CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 ...				J Enzyme Inhib Med Chem 28: 299-304 (2013) Article DOI: 10.3109/14756366.2012.677838 BindingDB Entry DOI: 10.7270/Q2K0734K
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM237356 (1-Methyl-3-(4-methyl-7, 8-dihydroxy-2H-chromen-2-o...) Show SMILES CN1CN(Cc2cc(=O)oc3c(O)c(O)ccc23)c2ccccc12 Show InChI InChI=1S/C18H16N2O4/c1-19-10-20(14-5-3-2-4-13(14)19)9-11-8-16(22)24-18-12(11)6-7-15(21)17(18)23/h2-8,21,23H,9-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.94E+4	n/a	n/a	n/a	n/a	10.0	n/a
Inonu University					Assay Description CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 ...				J Enzyme Inhib Med Chem 28: 299-304 (2013) Article DOI: 10.3109/14756366.2012.677838 BindingDB Entry DOI: 10.7270/Q2K0734K
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM237357 (1-(n-Butyl)-3-(4-methyl-7,8-dihydroxy-2H-chromen-2...) Show SMILES CCCCN1CN(Cc2cc(=O)oc3c(O)c(O)ccc23)c2ccccc12 Show InChI InChI=1S/C21H22N2O4/c1-2-3-10-22-13-23(17-7-5-4-6-16(17)22)12-14-11-19(25)27-21-15(14)8-9-18(24)20(21)26/h4-9,11,24,26H,2-3,10,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.15E+4	n/a	n/a	n/a	n/a	10.0	n/a
Inonu University					Assay Description CA activity was measured by the Maren method which is based on determination of the time required for the pH to decrease from 10.0 to 7.4 due to CO2 ...				J Enzyme Inhib Med Chem 28: 299-304 (2013) Article DOI: 10.3109/14756366.2012.677838 BindingDB Entry DOI: 10.7270/Q2K0734K
					More data for this Ligand-Target Pair
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human))	BDBM50144690 (CHEMBL3759001) Show SMILES [Cl-].Cc1ccc2c(C[n+]3cn(Cn4nnc5ccccc45)c4ccccc34)cc(=O)oc2c1C Show InChI InChI=1S/C26H22N5O2.ClH/c1-17-11-12-20-19(13-25(32)33-26(20)18(17)2)14-29-15-30(24-10-6-5-9-23(24)29)16-31-22-8-4-3-7-21(22)27-28-31;/h3-13,15H,14,16H2,1-2H3;1H/q+1;/p-1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.38E+5	n/a	n/a	n/a	n/a	n/a	n/a
In£n£ University Curated by ChEMBL					Assay Description Inhibition of human serum PON1 using paraoxon as substrate by spectrophotometric analysis				Bioorg Med Chem 24: 1392-401 (2016) Article DOI: 10.1016/j.bmc.2016.02.012 BindingDB Entry DOI: 10.7270/Q2FT8NWG
					More data for this Ligand-Target Pair
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human))	BDBM50139136 (CHEMBL3759337) Show SMILES [Cl-].Cc1n(C)cc[n+]1Cc1cc(=O)oc2cc(C)cc(C)c12 Show InChI InChI=1S/C17H19N2O2.ClH/c1-11-7-12(2)17-14(9-16(20)21-15(17)8-11)10-19-6-5-18(4)13(19)3;/h5-9H,10H2,1-4H3;1H/q+1;/p-1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.17E+5	n/a	n/a	n/a	n/a	n/a	n/a
In£n£ University Curated by ChEMBL					Assay Description Inhibition of human serum PON1 using paraoxon as substrate by spectrophotometric analysis				Bioorg Med Chem 24: 1392-401 (2016) Article DOI: 10.1016/j.bmc.2016.02.012 BindingDB Entry DOI: 10.7270/Q2FT8NWG
					More data for this Ligand-Target Pair
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human))	BDBM50144740 (CHEMBL3758357) Show SMILES C(n1cnc2ccccc12)n1nnc2ccccc12 Show InChI InChI=1S/C14H11N5/c1-3-7-13-11(5-1)15-9-18(13)10-19-14-8-4-2-6-12(14)16-17-19/h1-9H,10H2	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.64E+5	n/a	n/a	n/a	n/a	n/a	n/a
In£n£ University Curated by ChEMBL					Assay Description Inhibition of human serum PON1 using paraoxon as substrate by spectrophotometric analysis				Bioorg Med Chem 24: 1392-401 (2016) Article DOI: 10.1016/j.bmc.2016.02.012 BindingDB Entry DOI: 10.7270/Q2FT8NWG
					More data for this Ligand-Target Pair
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human))	BDBM50144738 (CHEMBL3758838) Show SMILES [Cl-].Cc1n(C)cc[n+]1Cc1nc2ccccc2[nH]1 Show InChI InChI=1S/C13H15N4.ClH/c1-10-16(2)7-8-17(10)9-13-14-11-5-3-4-6-12(11)15-13;/h3-8H,9H2,1-2H3,(H,14,15);1H/q+1;/p-1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.26E+5	n/a	n/a	n/a	n/a	n/a	n/a
In£n£ University Curated by ChEMBL					Assay Description Inhibition of human serum PON1 using paraoxon as substrate by spectrophotometric analysis				Bioorg Med Chem 24: 1392-401 (2016) Article DOI: 10.1016/j.bmc.2016.02.012 BindingDB Entry DOI: 10.7270/Q2FT8NWG
					More data for this Ligand-Target Pair
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human))	BDBM50144691 (CHEMBL3759697) Show SMILES [Cl-].CC(C)(C)c1ccc2oc(=O)cc(C[n+]3cn(Cn4nnc5ccccc45)c4ccccc34)c2c1 Show InChI InChI=1S/C28H26N5O2.ClH/c1-28(2,3)20-12-13-26-21(15-20)19(14-27(34)35-26)16-31-17-32(25-11-7-6-10-24(25)31)18-33-23-9-5-4-8-22(23)29-30-33;/h4-15,17H,16,18H2,1-3H3;1H/q+1;/p-1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.27E+5	n/a	n/a	n/a	n/a	n/a	n/a
In£n£ University Curated by ChEMBL					Assay Description Inhibition of human serum PON1 using paraoxon as substrate by spectrophotometric analysis				Bioorg Med Chem 24: 1392-401 (2016) Article DOI: 10.1016/j.bmc.2016.02.012 BindingDB Entry DOI: 10.7270/Q2FT8NWG
					More data for this Ligand-Target Pair
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human))	BDBM50144742 (CHEMBL3758332) Show SMILES [Cl-].C(n1c[n+](Cc2ccccc2)c2ccccc12)n1nnc2ccccc12 Show InChI InChI=1S/C21H18N5.ClH/c1-2-8-17(9-3-1)14-24-15-25(21-13-7-6-12-20(21)24)16-26-19-11-5-4-10-18(19)22-23-26;/h1-13,15H,14,16H2;1H/q+1;/p-1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.06E+6	n/a	n/a	n/a	n/a	n/a	n/a
In£n£ University Curated by ChEMBL					Assay Description Inhibition of human serum PON1 using paraoxon as substrate by spectrophotometric analysis				Bioorg Med Chem 24: 1392-401 (2016) Article DOI: 10.1016/j.bmc.2016.02.012 BindingDB Entry DOI: 10.7270/Q2FT8NWG
					More data for this Ligand-Target Pair
Serum paraoxonase/arylesterase 1 (Homo sapiens (Human))	BDBM50144741 (CHEMBL3760112) Show SMILES [Cl-].CCCC[n+]1cn(Cn2nnc3ccccc23)c2ccccc12 Show InChI InChI=1S/C18H20N5.ClH/c1-2-3-12-21-13-22(18-11-7-6-10-17(18)21)14-23-16-9-5-4-8-15(16)19-20-23;/h4-11,13H,2-3,12,14H2,1H3;1H/q+1;/p-1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.33E+6	n/a	n/a	n/a	n/a	n/a	n/a
In£n£ University Curated by ChEMBL					Assay Description Inhibition of human serum PON1 using paraoxon as substrate by spectrophotometric analysis				Bioorg Med Chem 24: 1392-401 (2016) Article DOI: 10.1016/j.bmc.2016.02.012 BindingDB Entry DOI: 10.7270/Q2FT8NWG
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50531083 (CHEMBL4514537) Show SMILES COc1ccc(Br)cc1S(=O)(=O)Nc1cc(Cl)ccc1O Show InChI InChI=1S/C13H11BrClNO4S/c1-20-12-5-2-8(14)6-13(12)21(18,19)16-10-7-9(15)3-4-11(10)17/h2-7,16-17H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	4.71E+3	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Displacement of FITC-labelled DEEEIDVVSVE from N-terminal SUMO-fused 6His-tagged WDR5 (unknown origin) (22 to 334 residues) expressed in Escherichia ...				J Med Chem 62: 11232-11259 (2019) Article DOI: 10.1021/acs.jmedchem.9b01411 BindingDB Entry DOI: 10.7270/Q2B85CM0
					More data for this Ligand-Target Pair				3D Structure (crystal)
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50531084 (CHEMBL4459698) Show SMILES Oc1ccc(cc1NS(=O)(=O)c1cc(Br)ccc1O)C1CC1 Show InChI InChI=1S/C15H14BrNO4S/c16-11-4-6-14(19)15(8-11)22(20,21)17-12-7-10(9-1-2-9)3-5-13(12)18/h3-9,17-19H,1-2H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	818	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Displacement of FITC-labelled DEEEIDVVSVE from N-terminal SUMO-fused 6His-tagged WDR5 (unknown origin) (22 to 334 residues) expressed in Escherichia ...				J Med Chem 62: 11232-11259 (2019) Article DOI: 10.1021/acs.jmedchem.9b01411 BindingDB Entry DOI: 10.7270/Q2B85CM0
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50531083 (CHEMBL4514537) Show SMILES COc1ccc(Br)cc1S(=O)(=O)Nc1cc(Cl)ccc1O Show InChI InChI=1S/C13H11BrClNO4S/c1-20-12-5-2-8(14)6-13(12)21(18,19)16-10-7-9(15)3-4-11(10)17/h2-7,16-17H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	4.71E+3	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Displacement of FITC-labelled DEEEIDVVSVE from N-terminal SUMO-fused 6His-tagged WDR5 (unknown origin) (22 to 334 residues) expressed in Escherichia ...				J Med Chem 62: 11232-11259 (2019) Article DOI: 10.1021/acs.jmedchem.9b01411 BindingDB Entry DOI: 10.7270/Q2B85CM0
					More data for this Ligand-Target Pair				3D Structure (crystal)
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50531085 (CHEMBL4457898) Show SMILES COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)ccc1O Show InChI InChI=1S/C13H11Cl2NO4S/c1-20-12-5-3-9(15)7-13(12)21(18,19)16-10-6-8(14)2-4-11(10)17/h2-7,16-17H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.41E+3	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Displacement of FITC-labelled DEEEIDVVSVE from N-terminal SUMO-fused 6His-tagged WDR5 (unknown origin) (22 to 334 residues) expressed in Escherichia ...				J Med Chem 62: 11232-11259 (2019) Article DOI: 10.1021/acs.jmedchem.9b01411 BindingDB Entry DOI: 10.7270/Q2B85CM0
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50531086 (CHEMBL4445624) Show SMILES COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1O Show InChI InChI=1S/C13H12BrNO4S/c1-19-12-7-6-9(14)8-13(12)20(17,18)15-10-4-2-3-5-11(10)16/h2-8,15-16H,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	>4.00E+4	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Displacement of FITC-labelled DEEEIDVVSVE from N-terminal SUMO-fused 6His-tagged WDR5 (unknown origin) (22 to 334 residues) expressed in Escherichia ...				J Med Chem 62: 11232-11259 (2019) Article DOI: 10.1021/acs.jmedchem.9b01411 BindingDB Entry DOI: 10.7270/Q2B85CM0
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50531087 (CHEMBL4470230) Show SMILES Oc1ccc(Cl)cc1NS(=O)(=O)c1cc(Br)ccc1O Show InChI InChI=1S/C12H9BrClNO4S/c13-7-1-3-11(17)12(5-7)20(18,19)15-9-6-8(14)2-4-10(9)16/h1-6,15-17H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.25E+3	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Displacement of FITC-labelled DEEEIDVVSVE from N-terminal SUMO-fused 6His-tagged WDR5 (unknown origin) (22 to 334 residues) expressed in Escherichia ...				J Med Chem 62: 11232-11259 (2019) Article DOI: 10.1021/acs.jmedchem.9b01411 BindingDB Entry DOI: 10.7270/Q2B85CM0
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50531088 (CHEMBL4462398) Show SMILES Oc1ccc(OC(F)(F)F)cc1NS(=O)(=O)c1cc(Br)ccc1O Show InChI InChI=1S/C13H9BrF3NO5S/c14-7-1-3-11(20)12(5-7)24(21,22)18-9-6-8(2-4-10(9)19)23-13(15,16)17/h1-6,18-20H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	549	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Displacement of FITC-labelled DEEEIDVVSVE from N-terminal SUMO-fused 6His-tagged WDR5 (unknown origin) (22 to 334 residues) expressed in Escherichia ...				J Med Chem 62: 11232-11259 (2019) Article DOI: 10.1021/acs.jmedchem.9b01411 BindingDB Entry DOI: 10.7270/Q2B85CM0
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50531089 (CHEMBL4569742) Show SMILES Oc1ccc(cc1NS(=O)(=O)c1cc(Br)ccc1O)S(F)(F)(F)(F)F Show InChI InChI=1S/C12H9BrF5NO4S2/c13-7-1-3-11(21)12(5-7)24(22,23)19-9-6-8(2-4-10(9)20)25(14,15,16,17)18/h1-6,19-21H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Displacement of FITC-labelled DEEEIDVVSVE from N-terminal SUMO-fused 6His-tagged WDR5 (unknown origin) (22 to 334 residues) expressed in Escherichia ...				J Med Chem 62: 11232-11259 (2019) Article DOI: 10.1021/acs.jmedchem.9b01411 BindingDB Entry DOI: 10.7270/Q2B85CM0
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50531090 (CHEMBL4583201) Show SMILES Oc1ccc(cc1NS(=O)(=O)c1cc(Br)ccc1O)C1(CC1)C(F)(F)F Show InChI InChI=1S/C16H13BrF3NO4S/c17-10-2-4-13(23)14(8-10)26(24,25)21-11-7-9(1-3-12(11)22)15(5-6-15)16(18,19)20/h1-4,7-8,21-23H,5-6H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	547	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Displacement of FITC-labelled DEEEIDVVSVE from N-terminal SUMO-fused 6His-tagged WDR5 (unknown origin) (22 to 334 residues) expressed in Escherichia ...				J Med Chem 62: 11232-11259 (2019) Article DOI: 10.1021/acs.jmedchem.9b01411 BindingDB Entry DOI: 10.7270/Q2B85CM0
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50531091 (CHEMBL4470498) Show SMILES Oc1ccc(cc1NS(=O)(=O)c1cc(Br)ccc1O)C1(CCC1)C#N Show InChI InChI=1S/C17H15BrN2O4S/c18-12-3-5-15(22)16(9-12)25(23,24)20-13-8-11(2-4-14(13)21)17(10-19)6-1-7-17/h2-5,8-9,20-22H,1,6-7H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	289	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Displacement of FITC-labelled DEEEIDVVSVE from N-terminal SUMO-fused 6His-tagged WDR5 (unknown origin) (22 to 334 residues) expressed in Escherichia ...				J Med Chem 62: 11232-11259 (2019) Article DOI: 10.1021/acs.jmedchem.9b01411 BindingDB Entry DOI: 10.7270/Q2B85CM0
					More data for this Ligand-Target Pair				3D Structure (crystal)
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50531092 (CHEMBL4537674) Show SMILES Oc1ccc(cc1NS(=O)(=O)c1cc(Br)ccc1O)C1(CCCCC1)C#N Show InChI InChI=1S/C19H19BrN2O4S/c20-14-5-7-17(24)18(11-14)27(25,26)22-15-10-13(4-6-16(15)23)19(12-21)8-2-1-3-9-19/h4-7,10-11,22-24H,1-3,8-9H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	229	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Displacement of FITC-labelled DEEEIDVVSVE from N-terminal SUMO-fused 6His-tagged WDR5 (unknown origin) (22 to 334 residues) expressed in Escherichia ...				J Med Chem 62: 11232-11259 (2019) Article DOI: 10.1021/acs.jmedchem.9b01411 BindingDB Entry DOI: 10.7270/Q2B85CM0
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50531093 (CHEMBL4518711) Show SMILES OC(=O)c1cc(Cl)cc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)c1O Show InChI InChI=1S/C13H8BrCl2NO6S/c14-5-1-8(16)12(19)10(2-5)24(22,23)17-9-4-6(15)3-7(11(9)18)13(20)21/h1-4,17-19H,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Displacement of FITC-labelled DEEEIDVVSVE from N-terminal SUMO-fused 6His-tagged WDR5 (unknown origin) (22 to 334 residues) expressed in Escherichia ...				J Med Chem 62: 11232-11259 (2019) Article DOI: 10.1021/acs.jmedchem.9b01411 BindingDB Entry DOI: 10.7270/Q2B85CM0
					More data for this Ligand-Target Pair
WD repeat-containing protein 5 (Homo sapiens (Human))	BDBM50531094 (CHEMBL4473507) Show SMILES OC(=O)c1cc(cc(NS(=O)(=O)c2cc(Br)ccc2O)c1O)C1CC1 Show InChI InChI=1S/C16H14BrNO6S/c17-10-3-4-13(19)14(7-10)25(23,24)18-12-6-9(8-1-2-8)5-11(15(12)20)16(21)22/h3-8,18-20H,1-2H2,(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	184	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Displacement of FITC-labelled DEEEIDVVSVE from N-terminal SUMO-fused 6His-tagged WDR5 (unknown origin) (22 to 334 residues) expressed in Escherichia ...				J Med Chem 62: 11232-11259 (2019) Article DOI: 10.1021/acs.jmedchem.9b01411 BindingDB Entry DOI: 10.7270/Q2B85CM0
					More data for this Ligand-Target Pair

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