Compile Data Set for Download or QSAR

Found 22 hits of ki data for polymerid = 10500   

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
Siderophore-binding protein (Mycobacterium tuberculosis)	BDBM50003624 ((RS)-nipecotic acid | CHEMBL277498 | Nipecotic | P...) Show SMILES OC(=O)C1CCCNC1 Show InChI InChI=1S/C6H11NO2/c8-6(9)5-2-1-3-7-4-5/h5,7H,1-4H2,(H,8,9)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	110	-9.49	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW
					More data for this Ligand-Target Pair
Siderophore-binding protein (Mycobacterium tuberculosis)	BDBM50146462 ((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...) Show SMILES OC(=O)\C=C\c1ccccc1O Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	120	-9.43	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW
					More data for this Ligand-Target Pair
Siderophore-binding protein (Mycobacterium tuberculosis)	BDBM50405325 (4-Iodobenzoic acid (2) | CHEMBL101265) Show SMILES OC(=O)c1ccc(I)cc1 Show InChI InChI=1S/C7H5IO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	140	-9.34	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW
					More data for this Ligand-Target Pair
Siderophore-binding protein (Mycobacterium tuberculosis)	BDBM11622 (β-CA inhibitor, 1 | 2-N-(4-amino-3-chlorobenz...) Show SMILES Nc1ccc(cc1Cl)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H8ClN5O4S3/c9-5-3-4(1-2-6(5)10)21(17,18)14-7-12-13-8(19-7)20(11,15)16/h1-3H,10H2,(H,12,14)(H2,11,15,16)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	170	-9.23	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Siderophore-binding protein (Mycobacterium tuberculosis)	BDBM239164 (4-Cyanobenzoic acid (3)) Show SMILES OC(=O)c1ccc(cc1)C#N Show InChI InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	190	-9.16	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW
					More data for this Ligand-Target Pair
Siderophore-binding protein (Mycobacterium tuberculosis)	BDBM11626 (β-CA inhibitor, 2 | 2-N-(4-amino-3-bromo-5-fl...) Show SMILES Nc1c(F)cc(cc1Br)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H7BrFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	270	-8.95	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Siderophore-binding protein (Mycobacterium tuberculosis)	BDBM11627 (β-CA inhibitor, 3 | 2-N-(4-amino-3-fluoro-5-i...) Show SMILES Nc1c(F)cc(cc1I)S(=O)(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C8H7FIN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	300	-8.89	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Siderophore-binding protein (Mycobacterium tuberculosis)	BDBM10886 (2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	340	-8.82	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Siderophore-binding protein (Mycobacterium tuberculosis)	BDBM50214744 ((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...) Show SMILES COc1cc(\C=C\C(O)=O)ccc1O Show InChI InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	360	-8.78	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW
					More data for this Ligand-Target Pair
Siderophore-binding protein (Mycobacterium tuberculosis)	BDBM239165 (4-Acetamidobenzoic acid (4)) Show SMILES CC(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C9H9NO3/c1-6(11)10-8-4-2-7(3-5-8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	480	-8.61	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW
					More data for this Ligand-Target Pair
Siderophore-binding protein (Mycobacterium tuberculosis)	BDBM50405310 (4-Nitrobenzoic acid (5) | CHEMBL101263) Show SMILES OC(=O)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	520	-8.57	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW
					More data for this Ligand-Target Pair
Siderophore-binding protein (Mycobacterium tuberculosis)	BDBM4375 ((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...) Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1 Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	570	-8.51	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW
					More data for this Ligand-Target Pair
Siderophore-binding protein (Mycobacterium tuberculosis)	BDBM4374 ((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...) Show SMILES OC(=O)\C=C\c1ccc(O)cc1 Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	600	-8.48	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW
					More data for this Ligand-Target Pair
Siderophore-binding protein (Mycobacterium tuberculosis)	BDBM239163 (4-Bromobenzoic acid (1)) Show SMILES OC(=O)c1ccc(Br)cc1 Show InChI InChI=1S/C7H5BrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	970	-8.20	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW
					More data for this Ligand-Target Pair
Siderophore-binding protein (Mycobacterium tuberculosis)	BDBM11611 (β-CA inhibitor, 10 | 4-Amino-3,5-dibromobenze...) Show SMILES Nc1c(Br)cc(cc1Br)S(N)(=O)=O Show InChI InChI=1S/C6H6Br2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.03E+3	-7.76	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Siderophore-binding protein (Mycobacterium tuberculosis)	BDBM11608 (β-CA inhibitor, 7 | 4-Amino-3,5-dichlorobenze...) Show SMILES Nc1c(Cl)cc(cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C6H6Cl2N2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.66E+3	-7.60	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Siderophore-binding protein (Mycobacterium tuberculosis)	BDBM11610 (β-CA inhibitor, 9 | 4-Amino-3-chloro-5-iodobe...) Show SMILES Nc1c(Cl)cc(cc1I)S(N)(=O)=O Show InChI InChI=1S/C6H6ClIN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.67E+3	-7.60	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Siderophore-binding protein (Mycobacterium tuberculosis)	BDBM11609 (β-CA inhibitor, 8 | 4-Amino-5-bromo-3-chlorob...) Show SMILES Nc1c(Cl)cc(cc1Br)S(N)(=O)=O Show InChI InChI=1S/C6H6BrClN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.69E+3	-7.59	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Siderophore-binding protein (Mycobacterium tuberculosis)	BDBM11607 (β-CA inhibitor, 6 | 4-Amino-3-fluoro-5-iodobe...) Show SMILES Nc1c(F)cc(cc1I)S(N)(=O)=O Show InChI InChI=1S/C6H6FIN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.79E+3	-7.57	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Siderophore-binding protein (Mycobacterium tuberculosis)	BDBM11605 (β-CA inhibitor, 4 | 4-Amino-5-chloro-3-fluoro...) Show SMILES Nc1c(F)cc(cc1Cl)S(N)(=O)=O Show InChI InChI=1S/C6H6ClFN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.02E+3	-7.53	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Siderophore-binding protein (Mycobacterium tuberculosis)	BDBM11606 (β-CA inhibitor, 5 | 4-Amino-5-bromo-3-fluorob...) Show SMILES Nc1c(F)cc(cc1Br)S(N)(=O)=O Show InChI InChI=1S/C6H6BrFN2O2S/c7-4-1-3(13(10,11)12)2-5(8)6(4)9/h1-2H,9H2,(H2,10,11,12)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.19E+3	-7.49	n/a	n/a	n/a	n/a	n/a	8.3	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA catalysed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 384-7 (2013) Article DOI: 10.3109/14756366.2011.645539 BindingDB Entry DOI: 10.7270/Q28C9V4F
					More data for this Ligand-Target Pair
Siderophore-binding protein (Mycobacterium tuberculosis)	BDBM10857 (4-aminobenzene-1-sulfonamide | CHEMBL21 | Sulfanil...) Show SMILES Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C6H8N2O2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	7.11E+3	-7.02	n/a	n/a	n/a	n/a	n/a	7.5	25
Università degli Studi di Firenze					Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity [Khalifah et al., J. Biol. Chem., ...				J Enzyme Inhib Med Chem 28: 392-6 (2013) Article DOI: 10.3109/14756366.2011.650168 BindingDB Entry DOI: 10.7270/Q2RF5SZW
					More data for this Ligand-Target Pair