Compile Data Set for Download or QSAR

Found 10 hits of ki for UniProtKB: P9WHQ9   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Hypoxanthine-guanine phosphoribosyltransferase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50467707 (CHEMBL4280490) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1CN(C[C@@H]1OCCP(O)(O)=O)C(=O)CCP(O)(O)=O |r| Show InChI InChI=1S/C14H22N6O9P2/c15-14-17-12-11(13(22)18-14)16-7-20(12)8-5-19(10(21)1-3-30(23,24)25)6-9(8)29-2-4-31(26,27)28/h7-9H,1-6H2,(H2,23,24,25)(H2,26,27,28)(H3,15,17,18,22)/t8-,9+/m1/s1	PDB UniProtKB/SwissProt 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
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant N-terminal 6His-tagged HGPRT expressed in Escherichia coli BL21 (DE3) using fixed concentration ...				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50467705 (CHEMBL4282830) Show SMILES O[C@H](CO[C@@H]1CN(C[C@H]1n1cnc2c(O)ncnc12)C(=O)CCP(O)(O)=O)P(O)(O)=O |r| Show InChI InChI=1S/C14H21N5O10P2/c20-10(1-2-30(23,24)25)18-3-8(9(4-18)29-5-11(21)31(26,27)28)19-7-17-12-13(19)15-6-16-14(12)22/h6-9,11,21H,1-5H2,(H,15,16,22)(H2,23,24,25)(H2,26,27,28)/t8-,9-,11+/m1/s1	PDB UniProtKB/SwissProt 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
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant N-terminal 6His-tagged HGPRT expressed in Escherichia coli BL21 (DE3) using fixed concentration ...				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50467710 (CHEMBL4290716) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1CN(C[C@H]1OC[C@@H](O)P(O)(O)=O)C(=O)CCP(O)(O)=O |r| Show InChI InChI=1S/C14H22N6O10P2/c15-14-17-12-11(13(23)18-14)16-6-20(12)7-3-19(9(21)1-2-31(24,25)26)4-8(7)30-5-10(22)32(27,28)29/h6-8,10,22H,1-5H2,(H2,24,25,26)(H2,27,28,29)(H3,15,17,18,23)/t7-,8-,10+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant N-terminal 6His-tagged HGPRT expressed in Escherichia coli BL21 (DE3) using fixed concentration ...				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hypoxanthine-guanine phosphoribosyltransferase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50467708 (CHEMBL4277753) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1CN(C[C@H]1OC[C@H](O)P(O)(O)=O)C(=O)CCP(O)(O)=O |r| Show InChI InChI=1S/C14H22N6O10P2/c15-14-17-12-11(13(23)18-14)16-6-20(12)7-3-19(9(21)1-2-31(24,25)26)4-8(7)30-5-10(22)32(27,28)29/h6-8,10,22H,1-5H2,(H2,24,25,26)(H2,27,28,29)(H3,15,17,18,23)/t7-,8-,10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant N-terminal 6His-tagged HGPRT expressed in Escherichia coli BL21 (DE3) using fixed concentration ...				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50467712 (CHEMBL4285691) Show SMILES O[C@@H](CO[C@@H]1CN(C[C@H]1n1cnc2c(O)ncnc12)C(=O)CCP(O)(O)=O)P(O)(O)=O |r| Show InChI InChI=1S/C14H21N5O10P2/c20-10(1-2-30(23,24)25)18-3-8(9(4-18)29-5-11(21)31(26,27)28)19-7-17-12-13(19)15-6-16-14(12)22/h6-9,11,21H,1-5H2,(H,15,16,22)(H2,23,24,25)(H2,26,27,28)/t8-,9-,11-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant N-terminal 6His-tagged HGPRT expressed in Escherichia coli BL21 (DE3) using fixed concentration ...				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50467709 (CHEMBL4291117) Show SMILES Oc1ncnc2n(cnc12)[C@@H]1CN(C[C@@H]1OCCP(O)(O)=O)C(=O)CCP(O)(O)=O |r| Show InChI InChI=1S/C14H21N5O9P2/c20-11(1-3-29(22,23)24)18-5-9(10(6-18)28-2-4-30(25,26)27)19-8-17-12-13(19)15-7-16-14(12)21/h7-10H,1-6H2,(H,15,16,21)(H2,22,23,24)(H2,25,26,27)/t9-,10+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant N-terminal 6His-tagged HGPRT expressed in Escherichia coli BL21 (DE3) using fixed concentration ...				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50467711 (CHEMBL4283940) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1CNC[C@@H]1OCP(O)(O)=O |r| Show InChI InChI=1S/C10H15N6O5P/c11-10-14-8-7(9(17)15-10)13-3-16(8)5-1-12-2-6(5)21-4-22(18,19)20/h3,5-6,12H,1-2,4H2,(H2,18,19,20)(H3,11,14,15,17)/t5-,6+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant N-terminal 6His-tagged HGPRT expressed in Escherichia coli BL21 (DE3) using fixed concentration ...				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hypoxanthine-guanine phosphoribosyltransferase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50467706 (CHEMBL4294529) Show SMILES Oc1ncnc2n(cnc12)[C@@H]1CNC[C@@H]1OCP(O)(O)=O |r| Show InChI InChI=1S/C10H14N5O5P/c16-10-8-9(12-3-13-10)15(4-14-8)6-1-11-2-7(6)20-5-21(17,18)19/h3-4,6-7,11H,1-2,5H2,(H,12,13,16)(H2,17,18,19)/t6-,7+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant N-terminal 6His-tagged HGPRT expressed in Escherichia coli BL21 (DE3) using fixed concentration ...				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair
Hypoxanthine-guanine phosphoribosyltransferase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50467711 (CHEMBL4283940) Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1CNC[C@@H]1OCP(O)(O)=O |r| Show InChI InChI=1S/C10H15N6O5P/c11-10-14-8-7(9(17)15-10)13-3-16(8)5-1-12-2-6(5)21-4-22(18,19)20/h3,5-6,12H,1-2,4H2,(H2,18,19,20)(H3,11,14,15,17)/t5-,6+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant N-terminal 6His-tagged HGPRT expressed in Escherichia coli BL21 (DE3) using fixed concentration ...				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair				3D Structure (crystal)
Hypoxanthine-guanine phosphoribosyltransferase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50467706 (CHEMBL4294529) Show SMILES Oc1ncnc2n(cnc12)[C@@H]1CNC[C@@H]1OCP(O)(O)=O |r| Show InChI InChI=1S/C10H14N5O5P/c16-10-8-9(12-3-13-10)15(4-14-8)6-1-11-2-7(6)20-5-21(17,18)19/h3-4,6-7,11H,1-2,5H2,(H,12,13,16)(H2,17,18,19)/t6-,7+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis recombinant N-terminal 6His-tagged HGPRT expressed in Escherichia coli BL21 (DE3) using fixed concentration ...				Eur J Med Chem 159: 10-22 (2018) Article DOI: 10.1016/j.ejmech.2018.09.039 BindingDB Entry DOI: 10.7270/Q2D22197
					More data for this Ligand-Target Pair