Compile Data Set for Download or QSAR

Found 194 hits with Last Name = 'garzan' and Initial = 'a'   

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
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM81484 (BROMPERIDOL | Bromoperidol | CAS_2448 | NSC_2448) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50530672 (CHEMBL4461948) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C21H23F2NO2/c22-18-7-3-16(4-8-18)20(25)2-1-13-24-14-11-21(26,12-15-24)17-5-9-19(23)10-6-17/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50201765 (CHEMBL3931070) Show SMILES Clc1cccc(c1)C(=O)CN1C(=O)C2(OCCO2)c2ccccc12 Show InChI InChI=1S/C18H14ClNO4/c19-13-5-3-4-12(10-13)16(21)11-20-15-7-2-1-6-14(15)18(17(20)22)23-8-9-24-18/h1-7,10H,8-9,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv Eis expressed in Escherichia coli BL21(DE3) using Acetyl-CoA as substrate preincubated for 10 mins fol...				ACS Med Chem Lett 7: 1219-1221 (2016) Article DOI: 10.1021/acsmedchemlett.6b00261 BindingDB Entry DOI: 10.7270/Q2251M51
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50201755 (CHEMBL1410785) Show SMILES Fc1ccc(cc1)C(=O)CN1C(=O)C2(OCCO2)c2ccccc12 Show InChI InChI=1S/C18H14FNO4/c19-13-7-5-12(6-8-13)16(21)11-20-15-4-2-1-3-14(15)18(17(20)22)23-9-10-24-18/h1-8H,9-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv Eis expressed in Escherichia coli BL21(DE3) using Acetyl-CoA as substrate preincubated for 10 mins fol...				ACS Med Chem Lett 7: 1219-1221 (2016) Article DOI: 10.1021/acsmedchemlett.6b00261 BindingDB Entry DOI: 10.7270/Q2251M51
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50201742 (CHEMBL3950034) Show SMILES COC(=O)c1cc2occc2n1CC(=O)c1cccc(F)c1 Show InChI InChI=1S/C16H12FNO4/c1-21-16(20)13-8-15-12(5-6-22-15)18(13)9-14(19)10-3-2-4-11(17)7-10/h2-8H,9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv Eis expressed in Escherichia coli BL21(DE3) using Acetyl-CoA as substrate preincubated for 10 mins fol...				ACS Med Chem Lett 7: 1219-1221 (2016) Article DOI: 10.1021/acsmedchemlett.6b00261 BindingDB Entry DOI: 10.7270/Q2251M51
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50201746 (CHEMBL3976122) Show SMILES COC(=O)c1cc2occc2n1CC(=O)c1cccc(Cl)c1 Show InChI InChI=1S/C16H12ClNO4/c1-21-16(20)13-8-15-12(5-6-22-15)18(13)9-14(19)10-3-2-4-11(17)7-10/h2-8H,9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv Eis expressed in Escherichia coli BL21(DE3) using Acetyl-CoA as substrate preincubated for 10 mins fol...				ACS Med Chem Lett 7: 1219-1221 (2016) Article DOI: 10.1021/acsmedchemlett.6b00261 BindingDB Entry DOI: 10.7270/Q2251M51
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50201750 (CHEMBL3903088) Show SMILES Fc1cccc(c1)C(=O)CN1C(=O)C2(OCCO2)c2ccccc12 Show InChI InChI=1S/C18H14FNO4/c19-13-5-3-4-12(10-13)16(21)11-20-15-7-2-1-6-14(15)18(17(20)22)23-8-9-24-18/h1-7,10H,8-9,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv Eis expressed in Escherichia coli BL21(DE3) using Acetyl-CoA as substrate preincubated for 10 mins fol...				ACS Med Chem Lett 7: 1219-1221 (2016) Article DOI: 10.1021/acsmedchemlett.6b00261 BindingDB Entry DOI: 10.7270/Q2251M51
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50201747 (CHEMBL3960292) Show SMILES COC(=O)c1cc2occc2n1CC(=O)c1ccc(F)cc1 Show InChI InChI=1S/C16H12FNO4/c1-21-16(20)13-8-15-12(6-7-22-15)18(13)9-14(19)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv Eis expressed in Escherichia coli BL21(DE3) using Acetyl-CoA as substrate preincubated for 10 mins fol...				ACS Med Chem Lett 7: 1219-1221 (2016) Article DOI: 10.1021/acsmedchemlett.6b00261 BindingDB Entry DOI: 10.7270/Q2251M51
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50201749 (CHEMBL3927142) Show SMILES O=C(CN1C(=O)C2(OCCO2)c2ccccc12)c1ccccc1 Show InChI InChI=1S/C18H15NO4/c20-16(13-6-2-1-3-7-13)12-19-15-9-5-4-8-14(15)18(17(19)21)22-10-11-23-18/h1-9H,10-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv Eis expressed in Escherichia coli BL21(DE3) using Acetyl-CoA as substrate preincubated for 10 mins fol...				ACS Med Chem Lett 7: 1219-1221 (2016) Article DOI: 10.1021/acsmedchemlett.6b00261 BindingDB Entry DOI: 10.7270/Q2251M51
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair				3D Structure (crystal)
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50201760 (CHEMBL3905343) Show SMILES COC(=O)c1cc2occc2n1CC(=O)c1cccc(Br)c1 Show InChI InChI=1S/C16H12BrNO4/c1-21-16(20)13-8-15-12(5-6-22-15)18(13)9-14(19)10-3-2-4-11(17)7-10/h2-8H,9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv Eis expressed in Escherichia coli BL21(DE3) using Acetyl-CoA as substrate preincubated for 10 mins fol...				ACS Med Chem Lett 7: 1219-1221 (2016) Article DOI: 10.1021/acsmedchemlett.6b00261 BindingDB Entry DOI: 10.7270/Q2251M51
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM81484 (BROMPERIDOL | Bromoperidol | CAS_2448 | NSC_2448) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C21H23BrFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50201759 (CHEMBL3927499) Show SMILES Brc1cccc(c1)C(=O)CN1C(=O)C2(OCCO2)c2ccccc12 Show InChI InChI=1S/C18H14BrNO4/c19-13-5-3-4-12(10-13)16(21)11-20-15-7-2-1-6-14(15)18(17(20)22)23-8-9-24-18/h1-7,10H,8-9,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	540	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv Eis expressed in Escherichia coli BL21(DE3) using Acetyl-CoA as substrate preincubated for 10 mins fol...				ACS Med Chem Lett 7: 1219-1221 (2016) Article DOI: 10.1021/acsmedchemlett.6b00261 BindingDB Entry DOI: 10.7270/Q2251M51
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50530692 (CHEMBL3544895) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(=CC1)c1ccc(Cl)cc1 |c:16| Show InChI InChI=1S/C21H21ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-11H,1-2,12-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50201756 (CHEMBL3980494) Show SMILES COC(=O)c1cc2occc2n1CC(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H12ClNO4/c1-21-16(20)13-8-15-12(6-7-22-15)18(13)9-14(19)10-2-4-11(17)5-3-10/h2-8H,9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv Eis expressed in Escherichia coli BL21(DE3) using Acetyl-CoA as substrate preincubated for 10 mins fol...				ACS Med Chem Lett 7: 1219-1221 (2016) Article DOI: 10.1021/acsmedchemlett.6b00261 BindingDB Entry DOI: 10.7270/Q2251M51
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50044442 (1-(4-Fluoro-phenyl)-4-piperidin-1-yl-butan-1-one |...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCCCC1 Show InChI InChI=1S/C15H20FNO/c16-14-8-6-13(7-9-14)15(18)5-4-12-17-10-2-1-3-11-17/h6-9H,1-5,10-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50019953 (1-(4-Fluoro-phenyl)-4-(4-hydroxy-piperidin-1-yl)-b...) Show SMILES OC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 Show InChI InChI=1S/C15H20FNO2/c16-13-5-3-12(4-6-13)15(19)2-1-9-17-10-7-14(18)8-11-17/h3-6,14,18H,1-2,7-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50530672 (CHEMBL4461948) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C21H23F2NO2/c22-18-7-3-16(4-8-18)20(25)2-1-13-24-14-11-21(26,12-15-24)17-5-9-19(23)10-6-17/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	760	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50019949 (1-(4-Fluoro-phenyl)-4-(4-hydroxy-4-phenyl-piperidi...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccccc1 Show InChI InChI=1S/C21H24FNO2/c22-19-10-8-17(9-11-19)20(24)7-4-14-23-15-12-21(25,13-16-23)18-5-2-1-3-6-18/h1-3,5-6,8-11,25H,4,7,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50474701 (CHEMBL147830) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO/c22-19-7-3-16(4-8-19)17-11-14-24(15-12-17)13-1-2-21(25)18-5-9-20(23)10-6-18/h3-10,17H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50590307 (CHEMBL5192523) Show SMILES NC(=N)NCCCC(=O)c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50590295 (CHEMBL5188685) Show SMILES OC1(CCN(CCCC(=O)c2ccc(Cl)cc2)CC1)c1ccc(Br)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50201741 (CHEMBL3915019) Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)CN1C(=O)C2(OCCO2)c2ccccc12 Show InChI InChI=1S/C18H14N2O6/c21-16(12-4-3-5-13(10-12)20(23)24)11-19-15-7-2-1-6-14(15)18(17(19)22)25-8-9-26-18/h1-7,10H,8-9,11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv Eis expressed in Escherichia coli BL21(DE3) using Acetyl-CoA as substrate preincubated for 10 mins fol...				ACS Med Chem Lett 7: 1219-1221 (2016) Article DOI: 10.1021/acsmedchemlett.6b00261 BindingDB Entry DOI: 10.7270/Q2251M51
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50190100 (CHEMBL3827123 | US10618914, Compound 26 | US111112...) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C(C)C)nnc2-c1[nH]nc2CCCc12 |t:9| Show InChI InChI=1S/C20H22N6OS/c1-11(2)18-16(12-7-9-13(27-3)10-8-12)25-26-19(23-24-20(26)28-18)17-14-5-4-6-15(14)21-22-17/h7-11,18H,4-6H2,1-3H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 in human CAL33 cells				Bioorg Med Chem Lett 26: 3581-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.017 BindingDB Entry DOI: 10.7270/Q2ZK5JMR
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50201763 (CHEMBL1612166) Show SMILES Clc1ccc(cc1)C(=O)CN1C(=O)C2(OCCO2)c2ccccc12 Show InChI InChI=1S/C18H14ClNO4/c19-13-7-5-12(6-8-13)16(21)11-20-15-4-2-1-3-14(15)18(17(20)22)23-9-10-24-18/h1-8H,9-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv Eis expressed in Escherichia coli BL21(DE3) using Acetyl-CoA as substrate preincubated for 10 mins fol...				ACS Med Chem Lett 7: 1219-1221 (2016) Article DOI: 10.1021/acsmedchemlett.6b00261 BindingDB Entry DOI: 10.7270/Q2251M51
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50590297 (CHEMBL5202744) Show SMILES OC1(CCN(CCCC(=O)c2ccccc2)CC1)c1ccc(Br)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50530694 (CHEMBL4556173) Show SMILES OC1(CCN(CCCC(=O)c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-3-16(4-8-18)20(25)2-1-13-24-14-11-21(26,12-15-24)17-5-9-19(23)10-6-17/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt 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									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50201745 (CHEMBL3926253) Show SMILES COC(=O)c1cc2occc2n1CC(=O)c1ccccc1F Show InChI InChI=1S/C16H12FNO4/c1-21-16(20)13-8-15-12(6-7-22-15)18(13)9-14(19)10-4-2-3-5-11(10)17/h2-8H,9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv Eis expressed in Escherichia coli BL21(DE3) using Acetyl-CoA as substrate preincubated for 10 mins fol...				ACS Med Chem Lett 7: 1219-1221 (2016) Article DOI: 10.1021/acsmedchemlett.6b00261 BindingDB Entry DOI: 10.7270/Q2251M51
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50201757 (CHEMBL3958709) Show SMILES COC(=O)c1cc2occc2n1CC(=O)c1ccccc1 Show InChI InChI=1S/C16H13NO4/c1-20-16(19)13-9-15-12(7-8-21-15)17(13)10-14(18)11-5-3-2-4-6-11/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv Eis expressed in Escherichia coli BL21(DE3) using Acetyl-CoA as substrate preincubated for 10 mins fol...				ACS Med Chem Lett 7: 1219-1221 (2016) Article DOI: 10.1021/acsmedchemlett.6b00261 BindingDB Entry DOI: 10.7270/Q2251M51
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50590292 (CHEMBL5209184) Show SMILES OC1(CCN(CCCC(=O)c2ccccc2)CC1)c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189972 (CHEMBL3828048 | US10618914, Compound 21 | US111112...) Show SMILES CC1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccccc1 |c:22| Show InChI InChI=1S/C20H16N6S/c1-13-18(15-10-6-3-7-11-15)25-26-19(23-24-20(26)27-13)17-12-16(21-22-17)14-8-4-2-5-9-14/h2-13H,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 in human CAL33 cells				Bioorg Med Chem Lett 26: 3581-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.017 BindingDB Entry DOI: 10.7270/Q2ZK5JMR
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189930 (CHEMBL3828475 | US10618914, Compound 8b | US111112...) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:9| Show InChI InChI=1S/C20H16N6OS/c1-27-15-9-7-14(8-10-15)18-12-28-20-24-23-19(26(20)25-18)17-11-16(21-22-17)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 in human CAL33 cells				Bioorg Med Chem Lett 26: 3581-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.017 BindingDB Entry DOI: 10.7270/Q2ZK5JMR
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189973 (CHEMBL3827771 | US10618914, Compound 22 | US111112...) Show SMILES CC1Sc2nnc(-c3cc(n[nH]3)-c3ccc(F)cc3)n2N=C1c1ccccc1 |c:23| Show InChI InChI=1S/C20H15FN6S/c1-12-18(14-5-3-2-4-6-14)26-27-19(24-25-20(27)28-12)17-11-16(22-23-17)13-7-9-15(21)10-8-13/h2-12H,1H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 in human CAL33 cells				Bioorg Med Chem Lett 26: 3581-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.017 BindingDB Entry DOI: 10.7270/Q2ZK5JMR
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50190101 (CHEMBL3827334 | US11111253, Compound 27) Show SMILES CC(C)CC1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1 |c:22| Show InChI InChI=1S/C20H20Cl2N6S/c1-10(2)8-16-17(11-6-7-13(21)14(22)9-11)27-28-19(25-26-20(28)29-16)18-12-4-3-5-15(12)23-24-18/h6-7,9-10,16H,3-5,8H2,1-2H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 in human CAL33 cells				Bioorg Med Chem Lett 26: 3581-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.017 BindingDB Entry DOI: 10.7270/Q2ZK5JMR
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189974 (CHEMBL3828152 | US10618914, Compound 23 | US111112...) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1cc(n[nH]1)-c1ccc(F)cc1 |t:9| Show InChI InChI=1S/C21H17FN6OS/c1-12-19(14-5-9-16(29-2)10-6-14)27-28-20(25-26-21(28)30-12)18-11-17(23-24-18)13-3-7-15(22)8-4-13/h3-12H,1-2H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 in human CAL33 cells				Bioorg Med Chem Lett 26: 3581-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.017 BindingDB Entry DOI: 10.7270/Q2ZK5JMR
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189986 (CHEMBL3827273 | US10618914, Compound 25 | US111112...) Show SMILES CC(C)C1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1 |c:21| Show InChI InChI=1S/C19H18Cl2N6S/c1-9(2)17-15(10-6-7-12(20)13(21)8-10)26-27-18(24-25-19(27)28-17)16-11-4-3-5-14(11)22-23-16/h6-9,17H,3-5H2,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 in human CAL33 cells				Bioorg Med Chem Lett 26: 3581-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.017 BindingDB Entry DOI: 10.7270/Q2ZK5JMR
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50219049 (1-(4-Chloro-phenyl)-4-[4-(4-chloro-phenyl)-4-hydro...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23Cl2NO2/c22-18-7-3-16(4-8-18)20(25)2-1-13-24-14-11-21(26,12-15-24)17-5-9-19(23)10-6-17/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50190102 (CHEMBL3828107 | US11111253, Compound 28) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1CC(C)C)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:9| Show InChI InChI=1S/C24H24N6OS/c1-15(2)13-21-22(17-9-11-18(31-3)12-10-17)29-30-23(27-28-24(30)32-21)20-14-19(25-26-20)16-7-5-4-6-8-16/h4-12,14-15,21H,13H2,1-3H3,(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 in human CAL33 cells				Bioorg Med Chem Lett 26: 3581-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.017 BindingDB Entry DOI: 10.7270/Q2ZK5JMR
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50027218 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccccc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H24ClNO2/c22-19-10-8-18(9-11-19)21(25)12-15-23(16-13-21)14-4-7-20(24)17-5-2-1-3-6-17/h1-3,5-6,8-11,25H,4,7,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189926 (CHEMBL3828159 | US10618914, Compound 6b | US111112...) Show SMILES Clc1cccc(c1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:8| Show InChI InChI=1S/C19H13ClN6S/c20-14-8-4-7-13(9-14)17-11-27-19-24-23-18(26(19)25-17)16-10-15(21-22-16)12-5-2-1-3-6-12/h1-10H,11H2,(H,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 in human CAL33 cells				Bioorg Med Chem Lett 26: 3581-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.017 BindingDB Entry DOI: 10.7270/Q2ZK5JMR
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50590298 (CHEMBL5187419) Show SMILES COc1ccc(cc1)C(=O)CCCN1CCC(O)(CC1)c1ccc(Br)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189975 (CHEMBL3828160 | US10618914, Compound 24 | US111112...) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1cc(n[nH]1)-c1ccc(Cl)cc1 |t:9| Show InChI InChI=1S/C21H17ClN6OS/c1-12-19(14-5-9-16(29-2)10-6-14)27-28-20(25-26-21(28)30-12)18-11-17(23-24-18)13-3-7-15(22)8-4-13/h3-12H,1-2H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 in human CAL33 cells				Bioorg Med Chem Lett 26: 3581-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.017 BindingDB Entry DOI: 10.7270/Q2ZK5JMR
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50201739 (CHEMBL3909271) Show SMILES COC(=O)c1cc2occc2n1CC(=O)c1ccc(C)cc1 Show InChI InChI=1S/C17H15NO4/c1-11-3-5-12(6-4-11)15(19)10-18-13-7-8-22-16(13)9-14(18)17(20)21-2/h3-9H,10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv Eis expressed in Escherichia coli BL21(DE3) using Acetyl-CoA as substrate preincubated for 10 mins fol...				ACS Med Chem Lett 7: 1219-1221 (2016) Article DOI: 10.1021/acsmedchemlett.6b00261 BindingDB Entry DOI: 10.7270/Q2251M51
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50590291 (CHEMBL5188423) Show SMILES OC1(CCN(CCCC(=O)c2ccc(Br)cc2)CC1)c1ccc(F)cc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00239b BindingDB Entry DOI: 10.7270/Q2417214
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189922 (CHEMBL1527817 | US10618914, Compound 1a | US111112...) Show SMILES Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12 |t:9| Show InChI InChI=1S/C16H12Cl2N6S/c17-10-5-4-8(6-11(10)18)13-7-25-16-22-21-15(24(16)23-13)14-9-2-1-3-12(9)19-20-14/h4-6H,1-3,7H2,(H,19,20)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 in human CAL33 cells				Bioorg Med Chem Lett 26: 3581-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.017 BindingDB Entry DOI: 10.7270/Q2ZK5JMR
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189949 (CHEMBL3827535) Show SMILES Fc1ccc(cc1)-c1cc([nH]n1)-c1nnc2SCC(=Nn12)c1ccc(Cl)c(Cl)c1 |c:20| Show InChI InChI=1S/C19H11Cl2FN6S/c20-13-6-3-11(7-14(13)21)17-9-29-19-26-25-18(28(19)27-17)16-8-15(23-24-16)10-1-4-12(22)5-2-10/h1-8H,9H2,(H,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 in human CAL33 cells				Bioorg Med Chem Lett 26: 3581-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.017 BindingDB Entry DOI: 10.7270/Q2ZK5JMR
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50190103 (CHEMBL3827967 | US11111253, Compound UPCDC10308) Show SMILES Clc1ccc(cc1Cl)C1=Nn2c(SC1Cc1ccccc1)nnc2-c1[nH]nc2CCCc12 |t:9| Show InChI InChI=1S/C23H18Cl2N6S/c24-16-10-9-14(12-17(16)25)20-19(11-13-5-2-1-3-6-13)32-23-29-28-22(31(23)30-20)21-15-7-4-8-18(15)26-27-21/h1-3,5-6,9-10,12,19H,4,7-8,11H2,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 in human CAL33 cells				Bioorg Med Chem Lett 26: 3581-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.017 BindingDB Entry DOI: 10.7270/Q2ZK5JMR
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189952 (CHEMBL3827948 | US10618914, Compound 19 | US111112...) Show SMILES CC1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1 |c:19| Show InChI InChI=1S/C17H14Cl2N6S/c1-8-14(9-5-6-11(18)12(19)7-9)24-25-16(22-23-17(25)26-8)15-10-3-2-4-13(10)20-21-15/h5-8H,2-4H2,1H3,(H,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Chemical Diversity Center Curated by ChEMBL					Assay Description Inhibition of IL6-induced STAT3 in human CAL33 cells				Bioorg Med Chem Lett 26: 3581-5 (2016) Article DOI: 10.1016/j.bmcl.2016.06.017 BindingDB Entry DOI: 10.7270/Q2ZK5JMR
					More data for this Ligand-Target Pair
N-acetyltransferase Eis (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50201752 (CHEMBL3890216) Show SMILES Cc1ccc(cc1)C(=O)CN1C(=O)C2(OCCO2)c2ccccc12 Show InChI InChI=1S/C19H17NO4/c1-13-6-8-14(9-7-13)17(21)12-20-16-5-3-2-4-15(16)19(18(20)22)23-10-11-24-19/h2-9H,10-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis H37Rv Eis expressed in Escherichia coli BL21(DE3) using Acetyl-CoA as substrate preincubated for 10 mins fol...				ACS Med Chem Lett 7: 1219-1221 (2016) Article DOI: 10.1021/acsmedchemlett.6b00261 BindingDB Entry DOI: 10.7270/Q2251M51
					More data for this Ligand-Target Pair

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