Compile Data Set for Download or QSAR

Found 211 hits with Last Name = 'boshoff' and Initial = 'him'   

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
Salicyl-AMP ligase / salicyl-S-ArCP synthetase (Mycobacterium tuberculosis)	BDBM50316153 (CHEMBL4299745) Show SMILES CCN(CC)CC.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2n[nH]c3cc(F)ccc3c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H17FN8O6S.C6H15N/c19-7-1-2-8-9(3-7)25-26-17(12(8)28)34(31,32)24-4-10-13(29)14(30)18(33-10)27-6-23-11-15(20)21-5-22-16(11)27;1-4-7(5-2)6-3/h1-3,5-6,10,13-14,18,24,29-30H,4H2,(H,25,28)(H2,20,21,22);4-6H2,1-3H3/t10-,13-,14-,18-;/m1./s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant salicylate ligase MbtA expressed in Escherichia coli using salicylic acid as substrate after 20 ...				ACS Med Chem Lett 9: 386-391 (2018) Article DOI: 10.1021/acsmedchemlett.8b00090 BindingDB Entry DOI: 10.7270/Q2RR21SH
					More data for this Ligand-Target Pair
Salicyl-AMP ligase / salicyl-S-ArCP synthetase (Mycobacterium tuberculosis)	BDBM50316151 (CHEMBL4299747) Show SMILES CCN(CC)CC.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2n[nH]c3cc(F)c(F)cc3c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H16F2N8O6S.C6H15N/c19-7-1-6-9(2-8(7)20)26-27-17(12(6)29)35(32,33)25-3-10-13(30)14(31)18(34-10)28-5-24-11-15(21)22-4-23-16(11)28;1-4-7(5-2)6-3/h1-2,4-5,10,13-14,18,25,30-31H,3H2,(H,26,29)(H2,21,22,23);4-6H2,1-3H3/t10-,13-,14-,18-;/m1./s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant salicylate ligase MbtA expressed in Escherichia coli using salicylic acid as substrate after 20 ...				ACS Med Chem Lett 9: 386-391 (2018) Article DOI: 10.1021/acsmedchemlett.8b00090 BindingDB Entry DOI: 10.7270/Q2RR21SH
					More data for this Ligand-Target Pair
Salicyl-AMP ligase / salicyl-S-ArCP synthetase (Mycobacterium tuberculosis)	BDBM50316152 (CHEMBL4299749) Show SMILES CCN(CC)CC.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2n[nH]c3ccccc3c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H18N8O6S.C6H15N/c19-15-11-16(21-6-20-15)26(7-22-11)18-14(29)13(28)10(32-18)5-23-33(30,31)17-12(27)8-3-1-2-4-9(8)24-25-17;1-4-7(5-2)6-3/h1-4,6-7,10,13-14,18,23,28-29H,5H2,(H,24,27)(H2,19,20,21);4-6H2,1-3H3/t10-,13-,14-,18-;/m1./s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant salicylate ligase MbtA expressed in Escherichia coli using salicylic acid as substrate after 20 ...				ACS Med Chem Lett 9: 386-391 (2018) Article DOI: 10.1021/acsmedchemlett.8b00090 BindingDB Entry DOI: 10.7270/Q2RR21SH
					More data for this Ligand-Target Pair
Salicyl-AMP ligase / salicyl-S-ArCP synthetase (Mycobacterium tuberculosis)	BDBM50316154 (CHEMBL4299748) Show SMILES CCN(CC)CC.Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2n[nH]c3ccc(F)cc3c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C18H17FN8O6S.C6H15N/c19-7-1-2-9-8(3-7)12(28)17(26-25-9)34(31,32)24-4-10-13(29)14(30)18(33-10)27-6-23-11-15(20)21-5-22-16(11)27;1-4-7(5-2)6-3/h1-3,5-6,10,13-14,18,24,29-30H,4H2,(H,25,28)(H2,20,21,22);4-6H2,1-3H3/t10-,13-,14-,18-;/m1./s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant salicylate ligase MbtA expressed in Escherichia coli using salicylic acid as substrate after 20 ...				ACS Med Chem Lett 9: 386-391 (2018) Article DOI: 10.1021/acsmedchemlett.8b00090 BindingDB Entry DOI: 10.7270/Q2RR21SH
					More data for this Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD32 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50565056 (CHEMBL4783416) Show SMILES CCCCCCCCCCCCOP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG 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 Mycobacterium tuberculosis H37Rv FAAL32 expressed in Escherichia coli BL21(DE3) cells incubated for 2 hrs in presence of [C14] fatty ac...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112408 BindingDB Entry DOI: 10.7270/Q2Z60SS6
					More data for this Ligand-Target Pair
Salicyl-AMP ligase / salicyl-S-ArCP synthetase (Mycobacterium tuberculosis)	BDBM50316149 (CHEMBL4168282) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)c2c[nH]c3ccccc3c2=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H19N7O6S/c20-17-13-18(23-7-22-17)26(8-24-13)19-16(29)15(28)11(32-19)5-25-33(30,31)12-6-21-10-4-2-1-3-9(10)14(12)27/h1-4,6-8,11,15-16,19,25,28-29H,5H2,(H,21,27)(H2,20,22,23)/t11-,15-,16-,19-/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Minnesota Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant salicylate ligase MbtA expressed in Escherichia coli using salicylic acid as substrate after 20 ...				ACS Med Chem Lett 9: 386-391 (2018) Article DOI: 10.1021/acsmedchemlett.8b00090 BindingDB Entry DOI: 10.7270/Q2RR21SH
					More data for this Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50565085 (CHEMBL4795814) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc(F)cc2)[C@@H](O)[C@H]1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112408 BindingDB Entry DOI: 10.7270/Q2Z60SS6
					More data for this Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50565089 (CHEMBL4778102) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2cccc(Cl)c2)[C@@H](O)[C@H]1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112408 BindingDB Entry DOI: 10.7270/Q2Z60SS6
					More data for this Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50565063 (CHEMBL4789026) Show SMILES CCCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112408 BindingDB Entry DOI: 10.7270/Q2Z60SS6
					More data for this Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50565075 (CHEMBL4784453) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112408 BindingDB Entry DOI: 10.7270/Q2Z60SS6
					More data for this Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50565062 (CHEMBL4794550) Show SMILES CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112408 BindingDB Entry DOI: 10.7270/Q2Z60SS6
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50456068 (CHEMBL4208344) Show SMILES C[C@H](Nc1cccc(F)c1F)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H16F2N4O2/c1-13(27-18-4-2-3-17(24)21(18)25)22(30)28-16-9-10-20-19(11-16)29-23(31-20)15-7-5-14(12-26)6-8-15/h2-11,13,27H,1H3,(H,28,30)/t13-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis IMPDH2 Y487C mutant using IMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50565094 (CHEMBL4793140) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2C(F)(F)F)[C@@H](O)[C@H]1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112408 BindingDB Entry DOI: 10.7270/Q2Z60SS6
					More data for this Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50565061 (CHEMBL4793406) Show SMILES CCCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112408 BindingDB Entry DOI: 10.7270/Q2Z60SS6
					More data for this Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50565055 (CHEMBL1213367) Show SMILES CCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv His-tagged FAAL28 expressed in Escherichia coli				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112408 BindingDB Entry DOI: 10.7270/Q2Z60SS6
					More data for this Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50565087 (CHEMBL4796346) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2F)[C@@H](O)[C@H]1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112408 BindingDB Entry DOI: 10.7270/Q2Z60SS6
					More data for this Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50565086 (CHEMBL4793079) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2cccc(F)c2)[C@@H](O)[C@H]1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112408 BindingDB Entry DOI: 10.7270/Q2Z60SS6
					More data for this Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50565096 (CHEMBL4783091) Show SMILES COc1cccc(OCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)c1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112408 BindingDB Entry DOI: 10.7270/Q2Z60SS6
					More data for this Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50565099 (CHEMBL4788041) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc3ccccc3c2)[C@@H](O)[C@H]1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112408 BindingDB Entry DOI: 10.7270/Q2Z60SS6
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50456074 (CHEMBL4202438) Show SMILES C[C@H](Oc1cccc(F)c1F)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H15F2N3O3/c1-13(30-20-4-2-3-17(24)21(20)25)22(29)27-16-9-10-19-18(11-16)28-23(31-19)15-7-5-14(12-26)6-8-15/h2-11,13H,1H3,(H,27,29)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50565088 (CHEMBL4788163) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc(Cl)cc2)[C@@H](O)[C@H]1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112408 BindingDB Entry DOI: 10.7270/Q2Z60SS6
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50456086 (CHEMBL4204706) Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H15Cl2N3O3/c1-13(30-20-4-2-3-17(24)21(20)25)22(29)27-16-9-10-19-18(11-16)28-23(31-19)15-7-5-14(12-26)6-8-15/h2-11,13H,1H3,(H,27,29)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50565063 (CHEMBL4789026) Show SMILES CCCCCCCCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI	MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv FACL19 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112408 BindingDB Entry DOI: 10.7270/Q2Z60SS6
					More data for this Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50565082 (CHEMBL4786161) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112408 BindingDB Entry DOI: 10.7270/Q2Z60SS6
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50456092 (CHEMBL4218122) Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)-c1n[nH]c(=O)o1 |r| Show InChI InChI=1S/C24H16Cl2N4O5/c1-12(33-19-4-2-3-16(25)20(19)26)21(31)27-15-9-10-18-17(11-15)28-22(34-18)13-5-7-14(8-6-13)23-29-30-24(32)35-23/h2-12H,1H3,(H,27,31)(H,30,32)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50565100 (CHEMBL4779275) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CNS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2)[C@@H](O)[C@H]1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112408 BindingDB Entry DOI: 10.7270/Q2Z60SS6
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50456097 (CHEMBL4217858) Show SMILES C[C@H](Nc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H16Cl2N4O2/c1-13(27-18-4-2-3-17(24)21(18)25)22(30)28-16-9-10-20-19(11-16)29-23(31-20)15-7-5-14(12-26)6-8-15/h2-11,13,27H,1H3,(H,28,30)/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50565090 (CHEMBL4794608) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccccc2Cl)[C@@H](O)[C@H]1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112408 BindingDB Entry DOI: 10.7270/Q2Z60SS6
					More data for this Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50565091 (CHEMBL4786635) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2ccc(Br)cc2)[C@@H](O)[C@H]1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112408 BindingDB Entry DOI: 10.7270/Q2Z60SS6
					More data for this Ligand-Target Pair
Long-chain-fatty-acid--AMP ligase FadD28 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50565093 (CHEMBL4785012) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CCCCCCCCCCOc2cccc(c2)C(F)(F)F)[C@@H](O)[C@H]1O |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv FAAL28 Spectra expressed in Escherichia coli BL21(DE3) cells assessed as cleavage of MEsG by spectrosc...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112408 BindingDB Entry DOI: 10.7270/Q2Z60SS6
					More data for this Ligand-Target Pair
Medium/long-chain-fatty-acid--CoA/3-oxocholest-4-en-26-oate--CoA ligase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50565055 (CHEMBL1213367) Show SMILES CCCCCCCCCCCC(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI	MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv His-tagged FACL19 expressed in Escherichia coli				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112408 BindingDB Entry DOI: 10.7270/Q2Z60SS6
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50456062 (CHEMBL4204618) Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1cc[n+]([O-])cc1 |r| Show InChI InChI=1S/C21H15Cl2N3O4/c1-12(29-18-4-2-3-15(22)19(18)23)20(27)24-14-5-6-17-16(11-14)25-21(30-17)13-7-9-26(28)10-8-13/h2-12H,1H3,(H,24,27)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50456063 (CHEMBL4215874) Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(OCC(=O)OCC#C)cc1 |r| Show InChI InChI=1S/C27H20Cl2N2O6/c1-3-13-34-24(32)15-35-19-10-7-17(8-11-19)27-31-21-14-18(9-12-22(21)37-27)30-26(33)16(2)36-23-6-4-5-20(28)25(23)29/h1,4-12,14,16H,13,15H2,2H3,(H,30,33)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM50456064 (CHEMBL4210256) Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C(N)=O |r| Show InChI InChI=1S/C23H17Cl2N3O4/c1-12(31-19-4-2-3-16(24)20(19)25)22(30)27-15-9-10-18-17(11-15)28-23(32-18)14-7-5-13(6-8-14)21(26)29/h2-12H,1H3,(H2,26,29)(H,27,30)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human IMPDH2 using IMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
GMP reductase 2 (Homo sapiens)	BDBM50456065 (CHEMBL4204401) Show SMILES COc1ccc(cn1)-c1nc2cc(NC(=O)[C@H](C)Oc3cccc(Cl)c3Cl)ccc2o1 |r| Show InChI InChI=1S/C22H17Cl2N3O4/c1-12(30-18-5-3-4-15(23)20(18)24)21(28)26-14-7-8-17-16(10-14)27-22(31-17)13-6-9-19(29-2)25-11-13/h3-12H,1-2H3,(H,26,28)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
GMP reductase 2 (Homo sapiens)	BDBM50456066 (CHEMBL4209336) Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1cccc(OCC(O)=O)c1 |r| Show InChI InChI=1S/C24H18Cl2N2O6/c1-13(33-20-7-3-6-17(25)22(20)26)23(31)27-15-8-9-19-18(11-15)28-24(34-19)14-4-2-5-16(10-14)32-12-21(29)30/h2-11,13H,12H2,1H3,(H,27,31)(H,29,30)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
GMP reductase 2 (Homo sapiens)	BDBM50456067 (CHEMBL4203696) Show SMILES C[C@H](Oc1cccc(F)c1F)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H15F3N2O3/c1-12(29-19-4-2-3-16(24)20(19)25)21(28)26-15-9-10-18-17(11-15)27-22(30-18)13-5-7-14(23)8-6-13/h2-12H,1H3,(H,26,28)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
GMP reductase 2 (Homo sapiens)	BDBM50456069 (CHEMBL4206398) Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C(\N)=N/O |r| Show InChI InChI=1S/C23H18Cl2N4O4/c1-12(32-19-4-2-3-16(24)20(19)25)22(30)27-15-9-10-18-17(11-15)28-23(33-18)14-7-5-13(6-8-14)21(26)29-31/h2-12,31H,1H3,(H2,26,29)(H,27,30)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
GMP reductase 2 (Homo sapiens)	BDBM50456070 (CHEMBL4205894) Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)-c1noc(=O)[nH]1 |r| Show InChI InChI=1S/C24H16Cl2N4O5/c1-12(33-19-4-2-3-16(25)20(19)26)22(31)27-15-9-10-18-17(11-15)28-23(34-18)14-7-5-13(6-8-14)21-29-24(32)35-30-21/h2-12H,1H3,(H,27,31)(H,29,30,32)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
GMP reductase 2 (Homo sapiens)	BDBM50456071 (CHEMBL4210769) Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)-n1cnnn1 |r| Show InChI InChI=1S/C23H16Cl2N6O3/c1-13(33-20-4-2-3-17(24)21(20)25)22(32)27-15-7-10-19-18(11-15)28-23(34-19)14-5-8-16(9-6-14)31-12-26-29-30-31/h2-13H,1H3,(H,27,32)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
GMP reductase 2 (Homo sapiens)	BDBM50456072 (CHEMBL4209120) Show SMILES C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(CN)cc1 |r| Show InChI InChI=1S/C23H19Cl2N3O3/c1-13(30-20-4-2-3-17(24)21(20)25)22(29)27-16-9-10-19-18(11-16)28-23(31-19)15-7-5-14(12-26)6-8-15/h2-11,13H,12,26H2,1H3,(H,27,29)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
GMP reductase 2 (Homo sapiens)	BDBM50456073 (CHEMBL4204321) Show SMILES COc1ccc(cc1)-c1nc2cc(NC(=O)[C@H](C)Oc3cccc(F)c3F)ccc2o1 |r| Show InChI InChI=1S/C23H18F2N2O4/c1-13(30-20-5-3-4-17(24)21(20)25)22(28)26-15-8-11-19-18(12-15)27-23(31-19)14-6-9-16(29-2)10-7-14/h3-13H,1-2H3,(H,26,28)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
GMP reductase 2 (Homo sapiens)	BDBM50456074 (CHEMBL4202438) Show SMILES C[C@H](Oc1cccc(F)c1F)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H15F2N3O3/c1-13(30-20-4-2-3-17(24)21(20)25)22(29)27-16-9-10-19-18(11-16)28-23(31-19)15-7-5-14(12-26)6-8-15/h2-11,13H,1H3,(H,27,29)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
GMP reductase 2 (Homo sapiens)	BDBM50456075 (CHEMBL4216354) Show SMILES C[C@H](Oc1ccc(F)c(F)c1F)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H14F3N3O3/c1-12(31-19-9-7-16(24)20(25)21(19)26)22(30)28-15-6-8-18-17(10-15)29-23(32-18)14-4-2-13(11-27)3-5-14/h2-10,12H,1H3,(H,28,30)/t12-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
GMP reductase 2 (Homo sapiens)	BDBM50456076 (CHEMBL4215758) Show SMILES C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1 |r| Show InChI InChI=1S/C22H16N4O3/c1-14(28-19-5-3-2-4-16(19)13-23)21(27)25-17-6-7-20-18(12-17)26-22(29-20)15-8-10-24-11-9-15/h2-12,14H,1H3,(H,25,27)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
GMP reductase 2 (Homo sapiens)	BDBM50456077 (CHEMBL4211469) Show SMILES COc1ccc(cc1)-c1nc2cc(NC(=O)[C@H](C)Oc3ccccc3C#N)ccc2o1 |r| Show InChI InChI=1S/C24H19N3O4/c1-15(30-21-6-4-3-5-17(21)14-25)23(28)26-18-9-12-22-20(13-18)27-24(31-22)16-7-10-19(29-2)11-8-16/h3-13,15H,1-2H3,(H,26,28)/t15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
GMP reductase 2 (Homo sapiens)	BDBM50456078 (CHEMBL4207934) Show SMILES C[C@H](Oc1ccccc1O)C(=O)Nc1ccc2oc(nc2c1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H17N3O4/c1-14(29-21-5-3-2-4-19(21)27)22(28)25-17-10-11-20-18(12-17)26-23(30-20)16-8-6-15(13-24)7-9-16/h2-12,14,27H,1H3,(H,25,28)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
GMP reductase 2 (Homo sapiens)	BDBM50456079 (CHEMBL4209344) Show SMILES COc1ccc(cc1)-c1nc2cc(NC(=S)[C@H](C)Oc3cccc(Cl)c3Cl)ccc2o1 |r| Show InChI InChI=1S/C23H18Cl2N2O3S/c1-13(29-20-5-3-4-17(24)21(20)25)23(31)26-15-8-11-19-18(12-15)27-22(30-19)14-6-9-16(28-2)10-7-14/h3-13H,1-2H3,(H,26,31)/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
GMP reductase 2 (Homo sapiens)	BDBM50456080 (CHEMBL4215780) Show SMILES COc1ccc(cc1)-c1cn2cc(NC(=O)[C@H](C)Oc3cccc(Cl)c3Cl)ccc2n1 |r| Show InChI InChI=1S/C23H19Cl2N3O3/c1-14(31-20-5-3-4-18(24)22(20)25)23(29)26-16-8-11-21-27-19(13-28(21)12-16)15-6-9-17(30-2)10-7-15/h3-14H,1-2H3,(H,26,29)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair
GMP reductase 2 (Homo sapiens)	BDBM50456081 (CHEMBL4210836) Show SMILES COc1ccc(Cc2nc3cc(NC(=O)[C@H](C)Oc4cccc(Cl)c4Cl)ccc3o2)cc1 |r| Show InChI InChI=1S/C24H20Cl2N2O4/c1-14(31-21-5-3-4-18(25)23(21)26)24(29)27-16-8-11-20-19(13-16)28-22(32-20)12-15-6-9-17(30-2)10-7-15/h3-11,13-14H,12H2,1-2H3,(H,27,29)/t14-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Allergy and Infectious Diseases Curated by ChEMBL					Assay Description Inhibition of human GMPR2 using GMP as substrate by spectrophotometric method				J Med Chem 61: 4739-4756 (2018) Article DOI: 10.1021/acs.jmedchem.7b01839 BindingDB Entry DOI: 10.7270/Q29889M0
					More data for this Ligand-Target Pair

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