Compile Data Set for Download or QSAR

Found 2022 hits with Last Name = 'cuny' and Initial = 'gd'   

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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50370414 (CHEMBL611207 | MESORIDAZINE) Show SMILES CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@](C)=O |r,@:1| Show InChI InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brigham& Women's Hospital Curated by ChEMBL					Assay Description High binding affinity towards human D2 dopamine receptor was determined by using [3H]YM-09151-2 as radioligand				Bioorg Med Chem Lett 14: 4379-82 (2004) Article DOI: 10.1016/j.bmcl.2004.06.078 BindingDB Entry DOI: 10.7270/Q2NZ88DW
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Bacillus anthracis)	BDBM50100980 (CHEMBL2178617) Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)C(N)=O Show InChI InChI=1S/C19H21ClN4O3/c1-11(24-27)12-5-4-6-13(9-12)19(2,3)23-18(26)22-14-7-8-16(20)15(10-14)17(21)25/h4-10,27H,1-3H3,(H2,21,25)(H2,22,23,26)/b24-11+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50100980 (CHEMBL2178617) Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)C(N)=O Show InChI InChI=1S/C19H21ClN4O3/c1-11(24-27)12-5-4-6-13(9-12)19(2,3)23-18(26)22-14-7-8-16(20)15(10-14)17(21)25/h4-10,27H,1-3H3,(H2,21,25)(H2,22,23,26)/b24-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Un-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Bacillus anthracis)	BDBM50100958 (CHEMBL3329562) Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C18H20BrN3O2/c1-12(22-24)13-5-4-6-14(11-13)18(2,3)21-17(23)20-16-9-7-15(19)8-10-16/h4-11,24H,1-3H3,(H2,20,21,23)/b22-12+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50100893 (CHEMBL549612) Show SMILES C[C@@H](Oc1cc[n+]([O-])c2ccccc12)c1cn(nn1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H15ClN4O2/c1-13(17-12-23(22-21-17)15-8-6-14(20)7-9-15)26-19-10-11-24(25)18-5-3-2-4-16(18)19/h2-13H,1H3/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Un-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50100893 (CHEMBL549612) Show SMILES C[C@@H](Oc1cc[n+]([O-])c2ccccc12)c1cn(nn1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H15ClN4O2/c1-13(17-12-23(22-21-17)15-8-6-14(20)7-9-15)26-19-10-11-24(25)18-5-3-2-4-16(18)19/h2-13H,1H3/t13-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50426014 (CHEMBL2315283) Show SMILES Cn1nc(CC(=O)Nc2ccc3oc4CCCCc4c3c2)c2ccccc2c1=O Show InChI InChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Un-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50100980 (CHEMBL2178617) Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)C(N)=O Show InChI InChI=1S/C19H21ClN4O3/c1-11(24-27)12-5-4-6-13(9-12)19(2,3)23-18(26)22-14-7-8-16(20)15(10-14)17(21)25/h4-10,27H,1-3H3,(H2,21,25)(H2,22,23,26)/b24-11+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Non-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Bacillus anthracis)	BDBM50100980 (CHEMBL2178617) Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Cl)c(c1)C(N)=O Show InChI InChI=1S/C19H21ClN4O3/c1-11(24-27)12-5-4-6-13(9-12)19(2,3)23-18(26)22-14-7-8-16(20)15(10-14)17(21)25/h4-10,27H,1-3H3,(H2,21,25)(H2,22,23,26)/b24-11+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50100958 (CHEMBL3329562) Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C18H20BrN3O2/c1-12(22-24)13-5-4-6-14(11-13)18(2,3)21-17(23)20-16-9-7-15(19)8-10-16/h4-11,24H,1-3H3,(H2,20,21,23)/b22-12+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Un-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Bacillus anthracis)	BDBM50426014 (CHEMBL2315283) Show SMILES Cn1nc(CC(=O)Nc2ccc3oc4CCCCc4c3c2)c2ccccc2c1=O Show InChI InChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM81428 (N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...) Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Un-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50432791 (CHEMBL2348823) Show SMILES C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 |r| Show InChI InChI=1S/C25H19N3O3/c1-16(30-22-8-4-6-17-5-2-3-7-20(17)22)24(29)27-19-9-10-23-21(15-19)28-25(31-23)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,29)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM81428 (N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...) Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Non-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50100958 (CHEMBL3329562) Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C18H20BrN3O2/c1-12(22-24)13-5-4-6-14(11-13)18(2,3)21-17(23)20-16-9-7-15(19)8-10-16/h4-11,24H,1-3H3,(H2,20,21,23)/b22-12+	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Non-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50548442 (CHEMBL4754678) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127543 BindingDB Entry DOI: 10.7270/Q2B27ZXR
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Bacillus anthracis)	BDBM50432791 (CHEMBL2348823) Show SMILES C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 |r| Show InChI InChI=1S/C25H19N3O3/c1-16(30-22-8-4-6-17-5-2-3-7-20(17)22)24(29)27-19-9-10-23-21(15-19)28-25(31-23)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,29)/t16-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair				3D Structure (crystal)
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50370414 (CHEMBL611207 | MESORIDAZINE) Show SMILES CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@](C)=O |r,@:1| Show InChI InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brigham& Women's Hospital Curated by ChEMBL					Assay Description Binding affinity towards rat 5-hydroxytryptamine 2A receptor was determined by using [3H]-ketanserin as radioligand				Bioorg Med Chem Lett 14: 4379-82 (2004) Article DOI: 10.1016/j.bmcl.2004.06.078 BindingDB Entry DOI: 10.7270/Q2NZ88DW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50370414 (CHEMBL611207 | MESORIDAZINE) Show SMILES CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@](C)=O |r,@:1| Show InChI InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-,26+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brigham& Women's Hospital Curated by ChEMBL					Assay Description Binding affinity towards rat 5-hydroxytryptamine 2A receptor was determined by using [3H]-ketanserin as radioligand				Bioorg Med Chem Lett 14: 4379-82 (2004) Article DOI: 10.1016/j.bmcl.2004.06.078 BindingDB Entry DOI: 10.7270/Q2NZ88DW
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Bacillus anthracis)	BDBM50432791 (CHEMBL2348823) Show SMILES C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 |r| Show InChI InChI=1S/C25H19N3O3/c1-16(30-22-8-4-6-17-5-2-3-7-20(17)22)24(29)27-19-9-10-23-21(15-19)28-25(31-23)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,29)/t16-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair				3D Structure (crystal)
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50370414 (CHEMBL611207 | MESORIDAZINE) Show SMILES CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@](C)=O |r,@:1| Show InChI InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brigham& Women's Hospital Curated by ChEMBL					Assay Description Binding affinity towards human D3 dopamine receptor was determined by using [3H]YM-09151-2 as radioligand				Bioorg Med Chem Lett 14: 4379-82 (2004) Article DOI: 10.1016/j.bmcl.2004.06.078 BindingDB Entry DOI: 10.7270/Q2NZ88DW
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50370414 (CHEMBL611207 | MESORIDAZINE) Show SMILES CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@](C)=O |r,@:1| Show InChI InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brigham& Women's Hospital Curated by ChEMBL					Assay Description Binding affinity towards human D3 dopamine receptor was determined by using [3H]YM-09151-2 as radioligand				Bioorg Med Chem Lett 14: 4379-82 (2004) Article DOI: 10.1016/j.bmcl.2004.06.078 BindingDB Entry DOI: 10.7270/Q2NZ88DW
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Bacillus anthracis)	BDBM50100893 (CHEMBL549612) Show SMILES C[C@@H](Oc1cc[n+]([O-])c2ccccc12)c1cn(nn1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H15ClN4O2/c1-13(17-12-23(22-21-17)15-8-6-14(20)7-9-15)26-19-10-11-24(25)18-5-3-2-4-16(18)19/h2-13H,1H3/t13-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50548446 (CHEMBL4792331) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)Nc1ccc(cc1)C(F)(F)F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127543 BindingDB Entry DOI: 10.7270/Q2B27ZXR
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50548441 (CHEMBL4786474) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)Nc1ccc(Cl)c(Cl)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127543 BindingDB Entry DOI: 10.7270/Q2B27ZXR
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50548444 (CHEMBL4745679) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)Nc1ccc(Cl)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127543 BindingDB Entry DOI: 10.7270/Q2B27ZXR
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Bacillus anthracis)	BDBM81428 (N-(naphthalen-2-yl)-2-[2-(pyridin-2-yl)-1H-1,3-ben...) Show SMILES O=C(Cn1c(nc2ccccc12)-c1ccccn1)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C24H18N4O/c29-23(26-19-13-12-17-7-1-2-8-18(17)15-19)16-28-22-11-4-3-9-20(22)27-24(28)21-10-5-6-14-25-21/h1-15H,16H2,(H,26,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50548440 (CHEMBL4790325) Show SMILES COc1cc(NC(=O)CC\C(C)=C\Cc2c(O)c3C(=O)OCc3c(C)c2OC)ccc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127543 BindingDB Entry DOI: 10.7270/Q2B27ZXR
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Bacillus anthracis)	BDBM50100958 (CHEMBL3329562) Show SMILES C\C(=N/O)c1cccc(c1)C(C)(C)NC(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C18H20BrN3O2/c1-12(22-24)13-5-4-6-14(11-13)18(2,3)21-17(23)20-16-9-7-15(19)8-10-16/h4-11,24H,1-3H3,(H2,20,21,23)/b22-12+	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50426014 (CHEMBL2315283) Show SMILES Cn1nc(CC(=O)Nc2ccc3oc4CCCCc4c3c2)c2ccccc2c1=O Show InChI InChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Non-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Bacillus anthracis)	BDBM50100893 (CHEMBL549612) Show SMILES C[C@@H](Oc1cc[n+]([O-])c2ccccc12)c1cn(nn1)-c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H15ClN4O2/c1-13(17-12-23(22-21-17)15-8-6-14(20)7-9-15)26-19-10-11-24(25)18-5-3-2-4-16(18)19/h2-13H,1H3/t13-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Non-competitive inhibition of Bacillus anthracis IMPDH preincubated for 10 mins before NAD+ substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50548445 (CHEMBL4794916) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)Nc1ccc(F)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127543 BindingDB Entry DOI: 10.7270/Q2B27ZXR
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50548450 (CHEMBL4749809) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CCCCCC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127543 BindingDB Entry DOI: 10.7270/Q2B27ZXR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50370414 (CHEMBL611207 | MESORIDAZINE) Show SMILES CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@](C)=O |r,@:1| Show InChI InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brigham& Women's Hospital Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 1A receptor was determined by using [3H]8-OH-DPAT as radioligand				Bioorg Med Chem Lett 14: 4379-82 (2004) Article DOI: 10.1016/j.bmcl.2004.06.078 BindingDB Entry DOI: 10.7270/Q2NZ88DW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50370414 (CHEMBL611207 | MESORIDAZINE) Show SMILES CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@](C)=O |r,@:1| Show InChI InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brigham& Women's Hospital Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 1A receptor was determined by using [3H]8-OH-DPAT as radioligand				Bioorg Med Chem Lett 14: 4379-82 (2004) Article DOI: 10.1016/j.bmcl.2004.06.078 BindingDB Entry DOI: 10.7270/Q2NZ88DW
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50432791 (CHEMBL2348823) Show SMILES C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 |r| Show InChI InChI=1S/C25H19N3O3/c1-16(30-22-8-4-6-17-5-2-3-7-20(17)22)24(29)27-19-9-10-23-21(15-19)28-25(31-23)18-11-13-26-14-12-18/h2-16H,1H3,(H,27,29)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	64	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brandeis University Curated by ChEMBL					Assay Description Un-competitive inhibition of Cryptosporidium IMPDH preincubated for 10 mins before IMP substrate addition by spectrophotometry				ACS Med Chem Lett 5: 846-50 (2014) Article DOI: 10.1021/ml500203p BindingDB Entry DOI: 10.7270/Q23J3FN3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50548452 (CHEMBL4795214) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1CC(=O)Nc1ccc(Cl)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127543 BindingDB Entry DOI: 10.7270/Q2B27ZXR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50370414 (CHEMBL611207 | MESORIDAZINE) Show SMILES CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@](C)=O |r,@:1| Show InChI InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brigham& Women's Hospital Curated by ChEMBL					Assay Description Binding affinity towards human D3 dopamine receptor was determined by using [3H]YM-09151-2 as radioligand				Bioorg Med Chem Lett 14: 4379-82 (2004) Article DOI: 10.1016/j.bmcl.2004.06.078 BindingDB Entry DOI: 10.7270/Q2NZ88DW
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50370414 (CHEMBL611207 | MESORIDAZINE) Show SMILES CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@](C)=O |r,@:1| Show InChI InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brigham& Women's Hospital Curated by ChEMBL					Assay Description Binding affinity towards human D3 dopamine receptor was determined by using [3H]YM-09151-2 as radioligand				Bioorg Med Chem Lett 14: 4379-82 (2004) Article DOI: 10.1016/j.bmcl.2004.06.078 BindingDB Entry DOI: 10.7270/Q2NZ88DW
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50548447 (CHEMBL4759843) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)Nc1ccc(cc1)C#N Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127543 BindingDB Entry DOI: 10.7270/Q2B27ZXR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50370414 (CHEMBL611207 | MESORIDAZINE) Show SMILES CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@](C)=O |r,@:1| Show InChI InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brigham& Women's Hospital Curated by ChEMBL					Assay Description Binding affinity towards rat 5-hydroxytryptamine 2C receptor was determined by using [3H]mesulergine as radioligand				Bioorg Med Chem Lett 14: 4379-82 (2004) Article DOI: 10.1016/j.bmcl.2004.06.078 BindingDB Entry DOI: 10.7270/Q2NZ88DW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Rattus norvegicus (Rat))	BDBM50370414 (CHEMBL611207 | MESORIDAZINE) Show SMILES CN1CCCC[C@@H]1CCN1c2ccccc2Sc2ccc(cc12)[S@](C)=O |r,@:1| Show InChI InChI=1S/C21H26N2OS2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(26(2)24)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-,26+/m1/s1	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	112	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Brigham& Women's Hospital Curated by ChEMBL					Assay Description Binding affinity towards rat 5-hydroxytryptamine 2C receptor was determined by using [3H]mesulergine as radioligand				Bioorg Med Chem Lett 14: 4379-82 (2004) Article DOI: 10.1016/j.bmcl.2004.06.078 BindingDB Entry DOI: 10.7270/Q2NZ88DW
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50548444 (CHEMBL4745679) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)Nc1ccc(Cl)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IMPDH2 expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluorescence assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127543 BindingDB Entry DOI: 10.7270/Q2B27ZXR
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50548455 (CHEMBL4744226) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C\C(=O)Nc1ccc(Cl)cc1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127543 BindingDB Entry DOI: 10.7270/Q2B27ZXR
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50155426 (1,3,5,8-Tetrahydroxy-xanthen-9-one | 1,3,5,8-tetra...) Show SMILES Oc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O Show InChI InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...				Chem Biol 12: 811-23 (2005) Article DOI: 10.1016/j.chembiol.2005.05.011 BindingDB Entry DOI: 10.7270/Q2ST7N84
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50548443 (CHEMBL4778448) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)Nc1cccc(Cl)c1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	143	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127543 BindingDB Entry DOI: 10.7270/Q2B27ZXR
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Cryptosporidium parvum)	BDBM50548453 (CHEMBL4787083) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C[C@H]1C[C@]1(C)CCC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	176	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Cryptosporidium parvum IMPDH expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluoresce...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127543 BindingDB Entry DOI: 10.7270/Q2B27ZXR
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 5 (Homo sapiens (Human))	BDBM50155426 (1,3,5,8-Tetrahydroxy-xanthen-9-one | 1,3,5,8-tetra...) Show SMILES Oc1cc(O)c2c(c1)oc1c(O)ccc(O)c1c2=O Show InChI InChI=1S/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	200	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Harvard Medical School					Assay Description Cdk5, 33P-ATP and cofactors were added in the presence of tau protein. The reaction mixture was incubated to allow Cdk5 to transfer 33P from ATP to ...				Chem Biol 12: 811-23 (2005) Article DOI: 10.1016/j.chembiol.2005.05.011 BindingDB Entry DOI: 10.7270/Q2ST7N84
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50548442 (CHEMBL4754678) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IMPDH2 expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluorescence assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127543 BindingDB Entry DOI: 10.7270/Q2B27ZXR
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50548445 (CHEMBL4794916) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(=O)Nc1ccc(F)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human IMPDH2 expressed in Escherichia coli assessed as apparent inhibition constant using NAD as substrate by fluorescence assay				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127543 BindingDB Entry DOI: 10.7270/Q2B27ZXR
					More data for this Ligand-Target Pair

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