Compile Data Set for Download or QSAR

Found 75 hits with Last Name = 'toledo' and Initial = 'am'   

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
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582205 (CHEMBL5094563) Show SMILES CC(=O)c1c(oc2ccc(O)c(CN3CCC3)c12)-c1cc(C)c(O)cn1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582194 (CHEMBL5085116) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)c(C)c1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582183 (CHEMBL5080207) Show SMILES CC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582170 (CHEMBL5074531) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC3)c12)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582196 (CHEMBL5083270) Show SMILES Oc1ccc(cc1)-c1oc2ccc(O)c(CNCC3(O)CC3)c2c1C(=O)N1CCC1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582203 (CHEMBL5077530) Show SMILES CC(=O)c1c(oc2ccc(O)c(CN3CCC3)c12)-c1ccc(O)cn1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582197 (CHEMBL5090255) Show SMILES Oc1ccc(cc1)-c1oc2ccc(O)c(CNCC3(O)CC3)c2c1C(=O)N1CC(F)C1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582201 (CHEMBL5080864) Show SMILES Oc1ccc(nc1)-c1oc2ccc(O)c(CN3CCCCC3)c2c1C(=O)N1CC(F)C1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582204 (CHEMBL5080306) Show SMILES CC(=O)c1c(oc2ccc(O)c(CN3CCCC3)c12)-c1ccc(O)cn1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582173 (CHEMBL5079632) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582189 (CHEMBL5090267) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc2[nH]ccc2c1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50520948 (CHEMBL4443524) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCCCC3)c12)-c1ccc(O)cc1 Show InChI InChI=1S/C22H24N2O4/c1-23-22(27)20-19-16(13-24-11-3-2-4-12-24)17(26)9-10-18(19)28-21(20)14-5-7-15(25)8-6-14/h5-10,25-26H,2-4,11-13H2,1H3,(H,23,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582169 (CHEMBL5070158) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCCC3)c12)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582192 (CHEMBL5084527) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)cc1F Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582202 (CHEMBL5084231) Show SMILES CC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)cn1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582182 (CHEMBL5091803) Show SMILES Oc1ccc(cc1)-c1oc2ccc(O)c(CN3CCC4(COC4)C3)c2c1C(=O)N1CC(F)C1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582171 (CHEMBL5079408) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC[C@@H](O)C3)c12)-c1ccc(O)cc1 |r| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582175 (CHEMBL5092632) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CC4(COC4)C3)c12)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582193 (CHEMBL5086988) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1c(F)cc(O)cc1F |(36.94,-34.48,;36.47,-35.95,;34.96,-36.27,;33.93,-35.13,;34.49,-37.73,;35.4,-38.99,;34.6,-40.02,;33.01,-39.76,;31.68,-40.53,;30.34,-39.76,;30.35,-38.22,;29.01,-37.45,;31.68,-37.45,;31.67,-35.91,;30.34,-35.14,;28.94,-35.78,;27.9,-34.63,;28.66,-33.3,;29.06,-31.8,;27.57,-31.41,;27.17,-32.9,;30.17,-33.61,;33.01,-38.21,;36.93,-38.98,;37.7,-40.32,;36.93,-41.65,;39.24,-40.32,;40.01,-38.99,;41.55,-38.98,;39.23,-37.65,;37.69,-37.66,;37.39,-36.28,)| Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582172 (CHEMBL5073352) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CNCC3(O)CC3)c12)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582177 (CHEMBL5090580) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CC4(C3)CCOC4)c12)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582184 (CHEMBL5074163) Show SMILES Oc1ccc(cc1)-c1cc2c(CN3CCC4(COC4)C3)c(O)ccc2o1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582185 (CHEMBL5087069) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccccc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582181 (CHEMBL5082225) Show SMILES Oc1ccc(cc1)-c1oc2ccc(O)c(CN3CCC4(COC4)C3)c2c1C(=O)N1CCC1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582188 (CHEMBL5093338) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(OC)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582191 (CHEMBL5069637) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)c(F)c1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582186 (CHEMBL5084676) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1cccc(O)c1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582200 (CHEMBL5080645) Show SMILES Oc1ccc(nc1)-c1oc2ccc(O)c(CN3CCCC3)c2c1C(=O)N1CCC1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582199 (CHEMBL5091583) Show SMILES Oc1ccc(nc1)-c1oc2ccc(O)c(CN3CCCCC3)c2c1C(=O)N1CCC1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582176 (CHEMBL5074920) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(CCO4)C3)c12)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582180 (CHEMBL5069500) Show SMILES CN(C)C(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582195 (CHEMBL5084912) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)cc1C Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582178 (CHEMBL5086229) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCCC(F)(F)C3)c12)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582187 (CHEMBL5069909) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(CO)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582174 (CHEMBL5086050) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CC4(CCO4)C3)c12)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582179 (CHEMBL5083712) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC(F)CC3)c12)-c1ccc(O)cc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582198 (CHEMBL5084615) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCCC3)c12)-c1ccc(O)cn1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50582188 (CHEMBL5093338) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(OC)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG ion channel by Q patch-clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Polyketide synthase Pks13 (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50582190 (CHEMBL5093986) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)cn1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Mycobacterium tuberculosis Pks13-TE domain using 4-methylumbelliferyl heptanoate as a fluorogenic substrate measured for 110 mins at 10...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50582183 (CHEMBL5080207) Show SMILES CC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG ion channel by Q patch-clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50582191 (CHEMBL5069637) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)c(F)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG ion channel by Q patch-clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50582185 (CHEMBL5087069) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG ion channel by Q patch-clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50582184 (CHEMBL5074163) Show SMILES Oc1ccc(cc1)-c1cc2c(CN3CCC4(COC4)C3)c(O)ccc2o1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG ion channel by Q patch-clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50520948 (CHEMBL4443524) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCCCC3)c12)-c1ccc(O)cc1 Show InChI InChI=1S/C22H24N2O4/c1-23-22(27)20-19-16(13-24-11-3-2-4-12-24)17(26)9-10-18(19)28-21(20)14-5-7-15(25)8-6-14/h5-10,25-26H,2-4,11-13H2,1H3,(H,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG ion channel by Q patch-clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50582181 (CHEMBL5082225) Show SMILES Oc1ccc(cc1)-c1oc2ccc(O)c(CN3CCC4(COC4)C3)c2c1C(=O)N1CCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG ion channel by Q patch-clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50582179 (CHEMBL5083712) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC(F)CC3)c12)-c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG ion channel by Q patch-clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50582201 (CHEMBL5080864) Show SMILES Oc1ccc(nc1)-c1oc2ccc(O)c(CN3CCCCC3)c2c1C(=O)N1CC(F)C1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG ion channel by Q patch-clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50582189 (CHEMBL5090267) Show SMILES CNC(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc2[nH]ccc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG ion channel by Q patch-clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50582182 (CHEMBL5091803) Show SMILES Oc1ccc(cc1)-c1oc2ccc(O)c(CN3CCC4(COC4)C3)c2c1C(=O)N1CC(F)C1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG ion channel by Q patch-clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50582180 (CHEMBL5069500) Show SMILES CN(C)C(=O)c1c(oc2ccc(O)c(CN3CCC4(COC4)C3)c12)-c1ccc(O)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of hERG ion channel by Q patch-clamp method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01586 BindingDB Entry DOI: 10.7270/Q24T6P88
					More data for this Ligand-Target Pair

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