Compile Data Set for Download or QSAR

Found 21 hits of kd for UniProtKB: P9WPP7   

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
Mycocyclosin synthase (Mycobacterium tuberculosis)	BDBM31774 (CHEMBL104 | Canesten | Clotrimazole | Lotrimin | M...) Show SMILES Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1 Show InChI InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis H37Rv wild type CYP121 by titration assay				J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4
					More data for this Ligand-Target Pair
Mycocyclosin synthase (Mycobacterium tuberculosis)	BDBM31773 (ECONAZOLE | Econazole nitrate | Gyno-pevaryl | Pev...) Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis H37Rv wild type CYP121 by titration assay				J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4
					More data for this Ligand-Target Pair
Mycocyclosin synthase (Mycobacterium tuberculosis)	BDBM31772 (1-[2-(2,4-dichlorobenzyl)oxy-2-(2,4-dichlorophenyl...) Show SMILES Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 Show InChI InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a
University of Cambridge Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis H37Rv wild type CYP121 by titration assay				J Med Chem 59: 3272-302 (2016) Article DOI: 10.1021/acs.jmedchem.6b00007 BindingDB Entry DOI: 10.7270/Q2MS3VN4
					More data for this Ligand-Target Pair
Mycocyclosin synthase (Mycobacterium tuberculosis)	BDBM50505739 (CHEMBL4471315) Show SMILES Oc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC2=O)cc1 |r| Show InChI InChI=1S/C18H17IN2O4/c19-13-7-11(3-6-16(13)23)9-15-18(25)20-14(17(24)21-15)8-10-1-4-12(22)5-2-10/h1-7,14-15,22-23H,8-9H2,(H,20,25)(H,21,24)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysis				J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mycocyclosin synthase (Mycobacterium tuberculosis)	BDBM50505729 (CHEMBL4467901) Show SMILES Oc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC2=O)cc1I |r| Show InChI InChI=1S/C18H16I2N2O4/c19-11-5-9(1-3-15(11)23)7-13-17(25)22-14(18(26)21-13)8-10-2-4-16(24)12(20)6-10/h1-6,13-14,23-24H,7-8H2,(H,21,26)(H,22,25)/t13-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysis				J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ
					More data for this Ligand-Target Pair
Mycocyclosin synthase (Mycobacterium tuberculosis)	BDBM50505738 (CHEMBL4565125) Show SMILES Oc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)c(Br)c3)NC2=O)cc1 |r| Show InChI InChI=1S/C18H17BrN2O4/c19-13-7-11(3-6-16(13)23)9-15-18(25)20-14(17(24)21-15)8-10-1-4-12(22)5-2-10/h1-7,14-15,22-23H,8-9H2,(H,20,25)(H,21,24)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysis				J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mycocyclosin synthase (Mycobacterium tuberculosis)	BDBM50505735 (CHEMBL4437128) Show SMILES Ic1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(I)cc3)NC2=O)cc1 |r| Show InChI InChI=1S/C18H16I2N2O2/c19-13-5-1-11(2-6-13)9-15-17(23)22-16(18(24)21-15)10-12-3-7-14(20)8-4-12/h1-8,15-16H,9-10H2,(H,21,24)(H,22,23)/t15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysis				J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ
					More data for this Ligand-Target Pair
Mycocyclosin synthase (Mycobacterium tuberculosis)	BDBM50505732 (CHEMBL4475712) Show SMILES Cc1cc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)ccc1O |r| Show InChI InChI=1S/C19H20N2O4/c1-11-8-13(4-7-17(11)23)10-16-19(25)20-15(18(24)21-16)9-12-2-5-14(22)6-3-12/h2-8,15-16,22-23H,9-10H2,1H3,(H,20,25)(H,21,24)/t15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysis				J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mycocyclosin synthase (Mycobacterium tuberculosis)	BDBM50505736 (CHEMBL4545848) Show SMILES Oc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)c(Cl)c3)NC2=O)cc1 |r| Show InChI InChI=1S/C18H17ClN2O4/c19-13-7-11(3-6-16(13)23)9-15-18(25)20-14(17(24)21-15)8-10-1-4-12(22)5-2-10/h1-7,14-15,22-23H,8-9H2,(H,20,25)(H,21,24)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysis				J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mycocyclosin synthase (Mycobacterium tuberculosis)	BDBM50505726 (CHEBI:71610 | CHEMBL126124) Show SMILES O=C1N[C@@H](Cc2ccccc2)C(=O)N[C@H]1Cc1ccccc1 Show InChI InChI=1S/C18H18N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)16(20-17)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,22)(H,20,21)/t15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysis				J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ
					More data for this Ligand-Target Pair
Mycocyclosin synthase (Mycobacterium tuberculosis)	BDBM25817 (2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-...) Show SMILES OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F Show InChI InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a
Swansea University Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis CYP121				Antimicrob Agents Chemother 53: 1157-64 (2009) Article DOI: 10.1128/AAC.01237-08 BindingDB Entry DOI: 10.7270/Q22V2GCB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mycocyclosin synthase (Mycobacterium tuberculosis)	BDBM50505728 (CHEMBL4537292) Show SMILES Fc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(F)cc3)NC2=O)cc1 |r| Show InChI InChI=1S/C18H16F2N2O2/c19-13-5-1-11(2-6-13)9-15-17(23)22-16(18(24)21-15)10-12-3-7-14(20)8-4-12/h1-8,15-16H,9-10H2,(H,21,24)(H,22,23)/t15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysis				J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ
					More data for this Ligand-Target Pair
Mycocyclosin synthase (Mycobacterium tuberculosis)	BDBM50505730 (CHEMBL4592778) Show SMILES Oc1ccc(C[C@@H]2NC(=O)[C@H](Cc3cc(I)c(O)c(I)c3)NC2=O)cc1 |r| Show InChI InChI=1S/C18H16I2N2O4/c19-12-5-10(6-13(20)16(12)24)8-15-18(26)21-14(17(25)22-15)7-9-1-3-11(23)4-2-9/h1-6,14-15,23-24H,7-8H2,(H,21,26)(H,22,25)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysis				J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ
					More data for this Ligand-Target Pair
Mycocyclosin synthase (Mycobacterium tuberculosis)	BDBM50505727 (CHEMBL4447064) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1 |r| Show InChI InChI=1S/C19H20N2O4/c1-25-15-8-4-13(5-9-15)11-17-19(24)20-16(18(23)21-17)10-12-2-6-14(22)7-3-12/h2-9,16-17,22H,10-11H2,1H3,(H,20,24)(H,21,23)/t16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysis				J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mycocyclosin synthase (Mycobacterium tuberculosis)	BDBM50505731 (CHEMBL4475027) Show SMILES Oc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)c(F)c3)NC2=O)cc1 |r| Show InChI InChI=1S/C18H17FN2O4/c19-13-7-11(3-6-16(13)23)9-15-18(25)20-14(17(24)21-15)8-10-1-4-12(22)5-2-10/h1-7,14-15,22-23H,8-9H2,(H,20,25)(H,21,24)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.28E+4	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysis				J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mycocyclosin synthase (Mycobacterium tuberculosis)	BDBM50505725 (CHEMBL4449188) Show SMILES Cc1cc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc(C)c1O |r| Show InChI InChI=1S/C20H22N2O4/c1-11-7-14(8-12(2)18(11)24)10-17-20(26)21-16(19(25)22-17)9-13-3-5-15(23)6-4-13/h3-8,16-17,23-24H,9-10H2,1-2H3,(H,21,26)(H,22,25)/t16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	1.51E+4	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysis				J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mycocyclosin synthase (Mycobacterium tuberculosis)	BDBM50505724 (CHEMBL4556539) Show SMILES COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(OC)cc3)NC2=O)cc1 |r| Show InChI InChI=1S/C20H22N2O4/c1-25-15-7-3-13(4-8-15)11-17-19(23)22-18(20(24)21-17)12-14-5-9-16(26-2)10-6-14/h3-10,17-18H,11-12H2,1-2H3,(H,21,24)(H,22,23)/t17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.94E+4	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysis				J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ
					More data for this Ligand-Target Pair
Mycocyclosin synthase (Mycobacterium tuberculosis)	BDBM50505734 (CHEBI:65063 | CHEMBL189558 | Cyclo(-Trp-Tyr)) Show SMILES Oc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1 |r| Show InChI InChI=1S/C18H18N2O4/c21-13-5-1-11(2-6-13)9-15-17(23)20-16(18(24)19-15)10-12-3-7-14(22)8-4-12/h1-8,15-16,21-22H,9-10H2,(H,19,24)(H,20,23)/t15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysis				J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mycocyclosin synthase (Mycobacterium tuberculosis)	BDBM50505733 (CHEMBL4457675) Show SMILES Cc1cc(O)ccc1C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O |r| Show InChI InChI=1S/C19H20N2O4/c1-11-8-15(23)7-4-13(11)10-17-19(25)20-16(18(24)21-17)9-12-2-5-14(22)6-3-12/h2-8,16-17,22-23H,9-10H2,1H3,(H,20,25)(H,21,24)/t16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	3.98E+4	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysis				J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mycocyclosin synthase (Mycobacterium tuberculosis)	BDBM50505740 (CHEBI:71611 | CHEMBL191426) Show SMILES Oc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1 Show InChI InChI=1S/C18H18N2O3/c21-14-8-6-13(7-9-14)11-16-18(23)19-15(17(22)20-16)10-12-4-2-1-3-5-12/h1-9,15-16,21H,10-11H2,(H,19,23)(H,20,22)/t15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	8.08E+4	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis CYP121 expressed in Escherichia coli HMS174 (DE3) by UV-visible scanning spectrophotometric analysis				J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Mycocyclosin synthase (Mycobacterium tuberculosis)	BDBM50505737 (CHEMBL4437078) Show SMILES Cc1cc(O)cc(C)c1C[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O |r| Show InChI InChI=1S/C20H22N2O4/c1-11-7-15(24)8-12(2)16(11)10-18-20(26)21-17(19(25)22-18)9-13-3-5-14(23)6-4-13/h3-8,17-18,23-24H,9-10H2,1-2H3,(H,21,26)(H,22,25)/t17-,18-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
University of Melbourne Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis His6-tagged CYP121 by UV-visible scanning spectrophotometric analysis				J Med Chem 62: 9792-9805 (2019) Article DOI: 10.1021/acs.jmedchem.9b01199 BindingDB Entry DOI: 10.7270/Q2BK1GPQ
					More data for this Ligand-Target Pair				3D Structure (crystal)