Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with Target = 'Chitin synthase'   

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
Chitin synthase 1 (Candida albicans)	BDBM50559071 (CHEMBL4741395) Show SMILES CN(CC#CC#CC(C)(C)C)c1cccc2NC(=O)COc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Candida albicans chitin synthase 1 expressed in Saccharomyces cerevisiae RRA400-1U cells using [3H]UDP-GlcNAc as substrate by scintilla...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00748 BindingDB Entry DOI: 10.7270/Q2348Q30
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50367322 (CHEMBL1791178) Show SMILES NC(C(O)C(O)COC(N)=O)C(=O)NC([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)[nH]c1=O)C(O)=O |r| Show InChI InChI=1S/C17H23N5O14/c18-5(7(24)4(23)2-35-16(19)33)12(28)20-6(15(31)32)10-8(25)9(26)13(36-10)22-1-3(14(29)30)11(27)21-17(22)34/h1,4-10,13,23-26H,2,18H2,(H2,19,33)(H,20,28)(H,29,30)(H,31,32)(H,21,27,34)/t4?,5?,6?,7?,8-,9+,10+,13+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant (KI) for the mmf chitin synthetase assay performed at constant inhibitor and varying substrate concentrations				J Med Chem 29: 802-9 (1986) BindingDB Entry DOI: 10.7270/Q2N01734
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50559072 (CHEMBL4786444) Show SMILES CC(C)(C)C#CC=CCNc1cccc2[nH]c(=O)ccc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	630	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Candida albicans chitin synthase 1 expressed in Saccharomyces cerevisiae RRA400-1U cells using [3H]UDP-GlcNAc as substrate by scintilla...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00748 BindingDB Entry DOI: 10.7270/Q2348Q30
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50367323 (CHEMBL1791436) Show SMILES CCCCCCCC(=O)NC(Cc1ccccc1)C(=O)NC(C(O)C(O)COC(N)=O)C(=O)NC([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cc(C(O)=O)c(=O)[nH]c1=O)C(O)=O |r| Show InChI InChI=1S/C34H46N6O16/c1-2-3-4-5-9-12-20(42)36-18(13-16-10-7-6-8-11-16)28(47)37-21(23(43)19(41)15-55-33(35)53)29(48)38-22(32(51)52)26-24(44)25(45)30(56-26)40-14-17(31(49)50)27(46)39-34(40)54/h6-8,10-11,14,18-19,21-26,30,41,43-45H,2-5,9,12-13,15H2,1H3,(H2,35,53)(H,36,42)(H,37,47)(H,38,48)(H,49,50)(H,51,52)(H,39,46,54)/t18?,19?,21?,22?,23?,24-,25+,26+,30+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	7.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against chitin synthetase				J Med Chem 29: 802-9 (1986) BindingDB Entry DOI: 10.7270/Q2N01734
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50367324 (CHEMBL1791438) Show SMILES NC(Cc1ccccc1)C(=O)NC(=Cc1ccccc1)C(=O)NC([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O |r,w:13.14| Show InChI InChI=1S/C28H29N5O9/c29-17(13-15-7-3-1-4-8-15)24(37)30-18(14-16-9-5-2-6-10-16)25(38)32-20(27(39)40)23-21(35)22(36)26(42-23)33-12-11-19(34)31-28(33)41/h1-12,14,17,20-23,26,35-36H,13,29H2,(H,30,37)(H,32,38)(H,39,40)(H,31,34,41)/t17?,20?,21-,22+,23+,26+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.13E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against chitin synthetase				J Med Chem 29: 802-9 (1986) BindingDB Entry DOI: 10.7270/Q2N01734
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50367327 (CHEMBL1791441) Show SMILES CCCNC(CC(C)C)C(=O)NC([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O |r| Show InChI InChI=1S/C19H30N4O8/c1-4-6-20-10(8-9(2)3)16(27)22-12(18(28)29)15-13(25)14(26)17(31-15)23-7-5-11(24)21-19(23)30/h5,7,9-10,12-15,17,20,25-26H,4,6,8H2,1-3H3,(H,22,27)(H,28,29)(H,21,24,30)/t10?,12?,13-,14+,15+,17+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.45E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for the inhibitory activity against chitin synthetase				J Med Chem 29: 802-9 (1986) BindingDB Entry DOI: 10.7270/Q2N01734
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50367325 (CHEMBL1791435) Show SMILES CCCCC(NC)C(=O)NC([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O |r| Show InChI InChI=1S/C17H26N4O8/c1-3-4-5-8(18-2)14(25)20-10(16(26)27)13-11(23)12(24)15(29-13)21-7-6-9(22)19-17(21)28/h6-8,10-13,15,18,23-24H,3-5H2,1-2H3,(H,20,25)(H,26,27)(H,19,22,28)/t8?,10?,11-,12+,13+,15+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.18E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant (KI) for the mmf chitin synthetase assay performed at constant inhibitor and varying substrate concentrations				J Med Chem 29: 802-9 (1986) BindingDB Entry DOI: 10.7270/Q2N01734
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50367326 (CHEMBL1791440) Show SMILES CCCCC(N)C(=O)NC([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(N)=O |r| Show InChI InChI=1S/C16H25N5O7/c1-2-3-4-7(17)14(26)20-9(13(18)25)12-10(23)11(24)15(28-12)21-6-5-8(22)19-16(21)27/h5-7,9-12,15,23-24H,2-4,17H2,1H3,(H2,18,25)(H,20,26)(H,19,22,27)/t7?,9?,10-,11+,12+,15+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.46E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant (KI) for the mmf chitin synthetase assay performed at constant inhibitor and varying substrate concentrations				J Med Chem 29: 802-9 (1986) BindingDB Entry DOI: 10.7270/Q2N01734
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50367320 (CHEMBL1791437) Show SMILES NOC(Cc1ccccc1)C(=O)NC([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O |r| Show InChI InChI=1S/C19H22N4O9/c20-32-10(8-9-4-2-1-3-5-9)16(27)22-12(18(28)29)15-13(25)14(26)17(31-15)23-7-6-11(24)21-19(23)30/h1-7,10,12-15,17,25-26H,8,20H2,(H,22,27)(H,28,29)(H,21,24,30)/t10?,12?,13-,14+,15+,17+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.78E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant (KI) for the mmf chitin synthetase assay performed at constant inhibitor and varying substrate concentrations				J Med Chem 29: 802-9 (1986) BindingDB Entry DOI: 10.7270/Q2N01734
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50367321 (CHEMBL1791439) Show SMILES N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O |r| Show InChI InChI=1S/C21H23N5O8/c22-11(7-9-8-23-12-4-2-1-3-10(9)12)18(30)25-14(20(31)32)17-15(28)16(29)19(34-17)26-6-5-13(27)24-21(26)33/h1-6,8,11,14-17,19,23,28-29H,7,22H2,(H,25,30)(H,31,32)(H,24,27,33)/t11-,14?,15-,16+,17+,19+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	1.06E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition constant (KI) for the mmf chitin synthetase assay performed at constant inhibitor and varying substrate concentrations				J Med Chem 29: 802-9 (1986) BindingDB Entry DOI: 10.7270/Q2N01734
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089536 (5-[(6,6-Dimethyl-hepta-2,4-diynyl)-methyl-amino]-3...) Show SMILES CN(CC#CC#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C19H22N2O/c1-19(2,3)13-6-5-7-14-21(4)17-10-8-9-16-15(17)11-12-18(22)20-16/h8-10H,11-12,14H2,1-4H3,(H,20,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Saccharomyces cerevisiae)	BDBM50089541 ((R)-[(S)-(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy...) Show SMILES C[C@@H]([C@H](N)C(=O)N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O)[C@H](O)c1ccc(O)cn1 |r| Show InChI InChI=1S/C20H25N5O10/c1-7(13(28)9-3-2-8(26)6-22-9)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-4-10(27)23-20(25)34/h2-7,11-16,18,26,28-30H,21H2,1H3,(H,24,31)(H,32,33)(H,23,27,34)/t7-,11-,12-,13-,14-,15+,16+,18+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de Rosario Curated by ChEMBL					Assay Description Inhibition of chitin synthase 1 in Saccharomyces cerevisiae after 90 mins in presence of trypsin				J Nat Prod 71: 1720-5 (2008) Article DOI: 10.1021/np070660i BindingDB Entry DOI: 10.7270/Q2513Z1P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Chitin synthase 1 (Saccharomyces cerevisiae)	BDBM50089541 ((R)-[(S)-(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy...) Show SMILES C[C@@H]([C@H](N)C(=O)N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O)[C@H](O)c1ccc(O)cn1 |r| Show InChI InChI=1S/C20H25N5O10/c1-7(13(28)9-3-2-8(26)6-22-9)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-4-10(27)23-20(25)34/h2-7,11-16,18,26,28-30H,21H2,1H3,(H,24,31)(H,32,33)(H,23,27,34)/t7-,11-,12-,13-,14-,15+,16+,18+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de Rosario Curated by ChEMBL					Assay Description Inhibition of chitin synthase 1 in Saccharomyces cerevisiae assessed as incorporation of [14C]-N-Acetylglucosamine after 90 mins				J Nat Prod 71: 1720-5 (2008) Article DOI: 10.1021/np070660i BindingDB Entry DOI: 10.7270/Q2513Z1P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Chitin synthase 1 (Candida albicans)	BDBM50089557 (5-[Butyl-((E)-6,6-dimethyl-hept-2-en-4-ynyl)-amino...) Show SMILES CCCCN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C22H30N2O/c1-5-6-16-24(17-9-7-8-15-22(2,3)4)20-12-10-11-19-18(20)13-14-21(25)23-19/h7,9-12H,5-6,13-14,16-17H2,1-4H3,(H,23,25)/b9-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089551 (5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-propyl-amin...) Show SMILES CCCN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C21H28N2O/c1-5-15-23(16-8-6-7-14-21(2,3)4)19-11-9-10-18-17(19)12-13-20(24)22-18/h6,8-11H,5,12-13,15-16H2,1-4H3,(H,22,24)/b8-6+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089540 (CHEMBL32125 | Phosphoric acid 5-[(6,6-dimethyl-hep...) Show SMILES CCOP(=O)(OCC)OC1Cc2c(NC1=O)cccc2N(C)CC#CC#CC(C)(C)C Show InChI InChI=1S/C23H31N2O5P/c1-7-28-31(27,29-8-2)30-21-17-18-19(24-22(21)26)13-12-14-20(18)25(6)16-11-9-10-15-23(3,4)5/h12-14,21H,7-8,16-17H2,1-6H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089563 (5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-amino...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C20H26N2O/c1-5-22(15-8-6-7-14-20(2,3)4)18-11-9-10-17-16(18)12-13-19(23)21-17/h6,8-11H,5,12-13,15H2,1-4H3,(H,21,23)/b8-6+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089538 (5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-pentyl-amin...) Show SMILES CCCCCN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C23H32N2O/c1-5-6-9-17-25(18-10-7-8-16-23(2,3)4)21-13-11-12-20-19(21)14-15-22(26)24-20/h7,10-13H,5-6,9,14-15,17-18H2,1-4H3,(H,24,26)/b10-7+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089559 (5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-isopropyl-a...) Show SMILES CC(C)N(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C21H28N2O/c1-16(2)23(15-8-6-7-14-21(3,4)5)19-11-9-10-18-17(19)12-13-20(24)22-18/h6,8-11,16H,12-13,15H2,1-5H3,(H,22,24)/b8-6+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089543 (5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-amin...) Show SMILES CN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C19H24N2O/c1-19(2,3)13-6-5-7-14-21(4)17-10-8-9-16-15(17)11-12-18(22)20-16/h5,7-10H,11-12,14H2,1-4H3,(H,20,22)/b7-5+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089547 (5-[(6,6-Dimethyl-hepta-2,4-diynyl)-methyl-amino]-3...) Show SMILES CN(CC#CC#CC(C)(C)C)c1cccc2NC(=O)C(O)Cc12 Show InChI InChI=1S/C19H22N2O2/c1-19(2,3)11-6-5-7-12-21(4)16-10-8-9-15-14(16)13-17(22)18(23)20-15/h8-10,17,22H,12-13H2,1-4H3,(H,20,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089537 (5-{[4-(3,3-Dimethyl-but-1-ynyl)-benzyl]-methyl-ami...) Show SMILES CN(Cc1ccc(cc1)C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C23H26N2O/c1-23(2,3)15-14-17-8-10-18(11-9-17)16-25(4)21-7-5-6-20-19(21)12-13-22(26)24-20/h5-11H,12-13,16H2,1-4H3,(H,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089560 (5-(Hepta-2,4-diynyl-methyl-amino)-3,4-dihydro-1H-q...) Show SMILES CCC#CC#CCN(C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C17H18N2O/c1-3-4-5-6-7-13-19(2)16-10-8-9-15-14(16)11-12-17(20)18-15/h8-10H,3,11-13H2,1-2H3,(H,18,20)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089550 (5-[(6,6-Dimethyl-hept-4-ynyl)-methyl-amino]-3,4-di...) Show SMILES CN(CCCC#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C19H26N2O/c1-19(2,3)13-6-5-7-14-21(4)17-10-8-9-16-15(17)11-12-18(22)20-16/h8-10H,5,7,11-12,14H2,1-4H3,(H,20,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089562 (3-Amino-5-[(6,6-dimethyl-hepta-2,4-diynyl)-methyl-...) Show SMILES CN(CC#CC#CC(C)(C)C)c1cccc2NC(=O)C(N)Cc12 Show InChI InChI=1S/C19H23N3O/c1-19(2,3)11-6-5-7-12-22(4)17-10-8-9-16-14(17)13-15(20)18(23)21-16/h8-10,15H,12-13,20H2,1-4H3,(H,21,23)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089561 (5-[((Z)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-amin...) Show SMILES CN(C\C=C/C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C19H24N2O/c1-19(2,3)13-6-5-7-14-21(4)17-10-8-9-16-15(17)11-12-18(22)20-16/h5,7-10H,11-12,14H2,1-4H3,(H,20,22)/b7-5-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089535 ((R)-2-Amino-3-methyl-butyric acid 5-[(6,6-dimethyl...) Show SMILES CC(C)[C@@H](N)C(=O)OC1Cc2c(NC1=O)cccc2N(C)CC#CC#CC(C)(C)C Show InChI InChI=1S/C24H31N3O3/c1-16(2)21(25)23(29)30-20-15-17-18(26-22(20)28)11-10-12-19(17)27(6)14-9-7-8-13-24(3,4)5/h10-12,16,20-21H,14-15,25H2,1-6H3,(H,26,28)/t20?,21-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089556 (5-[Benzyl-((E)-6,6-dimethyl-hept-2-en-4-ynyl)-amin...) Show SMILES CC(C)(C)C#C\C=C\CN(Cc1ccccc1)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C25H28N2O/c1-25(2,3)17-8-5-9-18-27(19-20-11-6-4-7-12-20)23-14-10-13-22-21(23)15-16-24(28)26-22/h4-7,9-14H,15-16,18-19H2,1-3H3,(H,26,28)/b9-5+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089546 (5-((E)-6,6-Dimethyl-hept-2-en-4-ynylamino)-1H-quin...) Show SMILES CC(C)(C)C#C\C=C\CNc1cccc2[nH]c(=O)ccc12 Show InChI InChI=1S/C18H20N2O/c1-18(2,3)12-5-4-6-13-19-15-8-7-9-16-14(15)10-11-17(21)20-16/h4,6-11,19H,13H2,1-3H3,(H,20,21)/b6-4+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089548 (5-((E)-6,6-Dimethyl-hept-2-en-4-ynylamino)-3,4-dih...) Show SMILES CC(C)(C)C#C\C=C\CNc1cccc2NC(=O)CCc12 Show InChI InChI=1S/C18H22N2O/c1-18(2,3)12-5-4-6-13-19-15-8-7-9-16-14(15)10-11-17(21)20-16/h4,6-9,19H,10-11,13H2,1-3H3,(H,20,21)/b6-4+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089546 (5-((E)-6,6-Dimethyl-hept-2-en-4-ynylamino)-1H-quin...) Show SMILES CC(C)(C)C#C\C=C\CNc1cccc2[nH]c(=O)ccc12 Show InChI InChI=1S/C18H20N2O/c1-18(2,3)12-5-4-6-13-19-15-8-7-9-16-14(15)10-11-17(21)20-16/h4,6-11,19H,13H2,1-3H3,(H,20,21)/b6-4+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089558 (5-[(6-Hydroxy-6-methyl-hepta-2,4-diynyl)-methyl-am...) Show SMILES CN(CC#CC#CC(C)(C)O)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C18H20N2O2/c1-18(2,22)12-5-4-6-13-20(3)16-9-7-8-15-14(16)10-11-17(21)19-15/h7-9,22H,10-11,13H2,1-3H3,(H,19,21)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	213	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089553 (CHEMBL32687 | N-((E)-6,6-Dimethyl-hept-2-en-4-ynyl...) Show SMILES CC(C)(C)C#C\C=C\CN(c1cccc2NC(=O)CCc12)S(C)(=O)=O Show InChI InChI=1S/C19H24N2O3S/c1-19(2,3)13-6-5-7-14-21(25(4,23)24)17-10-8-9-16-15(17)11-12-18(22)20-16/h5,7-10H,11-12,14H2,1-4H3,(H,20,22)/b7-5+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	391	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Saccharomyces cerevisiae)	BDBM50231813 ((2S,4aR,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-11-...) Show SMILES COC(=O)[C@@]1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:13| Show InChI InChI=1S/C36H56O11/c1-31(30(44)45-6)11-13-36(29(42)43)14-12-34(4)19(20(36)15-31)7-8-24-32(2)16-21(38)27(47-28-26(41)25(40)22(39)17-46-28)33(3,18-37)23(32)9-10-35(24,34)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43)/t20-,21-,22+,23+,24+,25-,26+,27-,28-,31-,32-,33-,34+,35+,36-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>400	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de Rosario Curated by ChEMBL					Assay Description Inhibition of chitin synthase 1 in Saccharomyces cerevisiae assessed as incorporation of [14C]-N-Acetylglucosamine after 90 mins				J Nat Prod 71: 1720-5 (2008) Article DOI: 10.1021/np070660i BindingDB Entry DOI: 10.7270/Q2513Z1P
					More data for this Ligand-Target Pair
Chitin synthase 1 (Saccharomyces cerevisiae)	BDBM50231813 ((2S,4aR,6aS,6bR,8aR,9R,10R,11S,12aR,12bR,14bS)-11-...) Show SMILES COC(=O)[C@@]1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)[C@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:13| Show InChI InChI=1S/C36H56O11/c1-31(30(44)45-6)11-13-36(29(42)43)14-12-34(4)19(20(36)15-31)7-8-24-32(2)16-21(38)27(47-28-26(41)25(40)22(39)17-46-28)33(3,18-37)23(32)9-10-35(24,34)5/h7,20-28,37-41H,8-18H2,1-6H3,(H,42,43)/t20-,21-,22+,23+,24+,25-,26+,27-,28-,31-,32-,33-,34+,35+,36-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>400	n/a	n/a	n/a	n/a	n/a	n/a
Universidad Nacional de Rosario Curated by ChEMBL					Assay Description Inhibition of chitin synthase 1 in Saccharomyces cerevisiae assessed as incorporation of [14C]N-Acetylglucosamine after 90 mins				J Nat Prod 71: 1720-5 (2008) Article DOI: 10.1021/np070660i BindingDB Entry DOI: 10.7270/Q2513Z1P
					More data for this Ligand-Target Pair
Chitin synthase 3 (Candida albicans)	BDBM50089536 (5-[(6,6-Dimethyl-hepta-2,4-diynyl)-methyl-amino]-3...) Show SMILES CN(CC#CC#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C19H22N2O/c1-19(2,3)13-6-5-7-14-21(4)17-10-8-9-16-15(17)11-12-18(22)20-16/h8-10H,11-12,14H2,1-4H3,(H,20,22)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	475	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Candida albicans chitin synthase				Citation and Details Article DOI: 10.1007/s00044-012-0177-9 BindingDB Entry DOI: 10.7270/Q21N8422
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089552 (CHEMBL416596 | N-((E)-6,6-Dimethyl-hept-2-en-4-yny...) Show SMILES CC(=O)N(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C20H24N2O2/c1-15(23)22(14-7-5-6-13-20(2,3)4)18-10-8-9-17-16(18)11-12-19(24)21-17/h5,7-10H,11-12,14H2,1-4H3,(H,21,24)/b7-5+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	775	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089554 (CHEMBL35365 | N-[3-((E)-6,6-Dimethyl-hept-2-en-4-y...) Show SMILES CC(=O)Nc1cccc(NC\C=C\C#CC(C)(C)C)c1 Show InChI InChI=1S/C17H22N2O/c1-14(20)19-16-10-8-9-15(13-16)18-12-7-5-6-11-17(2,3)4/h5,7-10,13,18H,12H2,1-4H3,(H,19,20)/b7-5+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089555 (5-[(6-Methoxy-6-methyl-hepta-2,4-diynyl)-methyl-am...) Show SMILES COC(C)(C)C#CC#CCN(C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C19H22N2O2/c1-19(2,23-4)13-6-5-7-14-21(3)17-10-8-9-16-15(17)11-12-18(22)20-16/h8-10H,11-12,14H2,1-4H3,(H,20,22)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 3 (Candida albicans)	BDBM50089557 (5-[Butyl-((E)-6,6-dimethyl-hept-2-en-4-ynyl)-amino...) Show SMILES CCCCN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C22H30N2O/c1-5-6-16-24(17-9-7-8-15-22(2,3)4)20-12-10-11-19-18(20)13-14-21(25)23-19/h7,9-12H,5-6,13-14,16-17H2,1-4H3,(H,23,25)/b9-7+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Candida albicans chitin synthase				Citation and Details Article DOI: 10.1007/s00044-012-0177-9 BindingDB Entry DOI: 10.7270/Q21N8422
					More data for this Ligand-Target Pair
Chitin synthase 3 (Candida albicans)	BDBM50089540 (CHEMBL32125 | Phosphoric acid 5-[(6,6-dimethyl-hep...) Show SMILES CCOP(=O)(OCC)OC1Cc2c(NC1=O)cccc2N(C)CC#CC#CC(C)(C)C Show InChI InChI=1S/C23H31N2O5P/c1-7-28-31(27,29-8-2)30-21-17-18-19(24-22(21)26)13-12-14-20(18)25(6)16-11-9-10-15-23(3,4)5/h12-14,21H,7-8,16-17H2,1-6H3,(H,24,26)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Candida albicans chitin synthase				Citation and Details Article DOI: 10.1007/s00044-012-0177-9 BindingDB Entry DOI: 10.7270/Q21N8422
					More data for this Ligand-Target Pair
Chitin synthase 3 (Candida albicans)	BDBM50089551 (5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-propyl-amin...) Show SMILES CCCN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C21H28N2O/c1-5-15-23(16-8-6-7-14-21(2,3)4)19-11-9-10-18-17(19)12-13-20(24)22-18/h6,8-11H,5,12-13,15-16H2,1-4H3,(H,22,24)/b8-6+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Candida albicans chitin synthase				Citation and Details Article DOI: 10.1007/s00044-012-0177-9 BindingDB Entry DOI: 10.7270/Q21N8422
					More data for this Ligand-Target Pair
Chitin synthase 3 (Candida albicans)	BDBM50089563 (5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-amino...) Show SMILES CCN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C20H26N2O/c1-5-22(15-8-6-7-14-20(2,3)4)18-11-9-10-17-16(18)12-13-19(23)21-17/h6,8-11H,5,12-13,15H2,1-4H3,(H,21,23)/b8-6+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Candida albicans chitin synthase				Citation and Details Article DOI: 10.1007/s00044-012-0177-9 BindingDB Entry DOI: 10.7270/Q21N8422
					More data for this Ligand-Target Pair
Chitin synthase 3 (Candida albicans)	BDBM50089538 (5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-pentyl-amin...) Show SMILES CCCCCN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C23H32N2O/c1-5-6-9-17-25(18-10-7-8-16-23(2,3)4)21-13-11-12-20-19(21)14-15-22(26)24-20/h7,10-13H,5-6,9,14-15,17-18H2,1-4H3,(H,24,26)/b10-7+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Candida albicans chitin synthase				Citation and Details Article DOI: 10.1007/s00044-012-0177-9 BindingDB Entry DOI: 10.7270/Q21N8422
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089541 ((R)-[(S)-(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy...) Show SMILES C[C@@H]([C@H](N)C(=O)N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O)[C@H](O)c1ccc(O)cn1 |r| Show InChI InChI=1S/C20H25N5O10/c1-7(13(28)9-3-2-8(26)6-22-9)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-4-10(27)23-20(25)34/h2-7,11-16,18,26,28-30H,21H2,1H3,(H,24,31)(H,32,33)(H,23,27,34)/t7-,11-,12-,13-,14-,15+,16+,18+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089541 ((R)-[(S)-(2S,3S,4S)-2-Amino-4-hydroxy-4-(5-hydroxy...) Show SMILES C[C@@H]([C@H](N)C(=O)N[C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O)[C@H](O)c1ccc(O)cn1 |r| Show InChI InChI=1S/C20H25N5O10/c1-7(13(28)9-3-2-8(26)6-22-9)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-4-10(27)23-20(25)34/h2-7,11-16,18,26,28-30H,21H2,1H3,(H,24,31)(H,32,33)(H,23,27,34)/t7-,11-,12-,13-,14-,15+,16+,18+/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Candida albicans chitin synthase 1				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c00748 BindingDB Entry DOI: 10.7270/Q2348Q30
					More data for this Ligand-Target Pair
Chitin synthase 3 (Candida albicans)	BDBM50089559 (5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-isopropyl-a...) Show SMILES CC(C)N(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C21H28N2O/c1-16(2)23(15-8-6-7-14-21(3,4)5)19-11-9-10-18-17(19)12-13-20(24)22-18/h6,8-11,16H,12-13,15H2,1-5H3,(H,22,24)/b8-6+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	3.79E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Candida albicans chitin synthase				Citation and Details Article DOI: 10.1007/s00044-012-0177-9 BindingDB Entry DOI: 10.7270/Q21N8422
					More data for this Ligand-Target Pair
Chitin synthase 1 (Candida albicans)	BDBM50089545 (((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-quinolin-5-yl-...) Show SMILES CC(C)(C)C#C\C=C\CNc1cccc2ncccc12 Show InChI InChI=1S/C18H20N2/c1-18(2,3)12-5-4-6-13-19-16-10-7-11-17-15(16)9-8-14-20-17/h4,6-11,14,19H,13H2,1-3H3/b6-4+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Roche Research Center Curated by ChEMBL					Assay Description Inhibitory of Candida albicans chitin synthase 1				Bioorg Med Chem Lett 10: 1459-62 (2000) BindingDB Entry DOI: 10.7270/Q2R210MK
					More data for this Ligand-Target Pair
Chitin synthase 3 (Candida albicans)	BDBM50089543 (5-[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-amin...) Show SMILES CN(C\C=C\C#CC(C)(C)C)c1cccc2NC(=O)CCc12 Show InChI InChI=1S/C19H24N2O/c1-19(2,3)13-6-5-7-14-21(4)17-10-8-9-16-15(17)11-12-18(22)20-16/h5,7-10H,11-12,14H2,1-4H3,(H,20,22)/b7-5+	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Candida albicans chitin synthase				Citation and Details Article DOI: 10.1007/s00044-012-0177-9 BindingDB Entry DOI: 10.7270/Q21N8422
					More data for this Ligand-Target Pair
Chitin synthase 3 (Candida albicans)	BDBM50089547 (5-[(6,6-Dimethyl-hepta-2,4-diynyl)-methyl-amino]-3...) Show SMILES CN(CC#CC#CC(C)(C)C)c1cccc2NC(=O)C(O)Cc12 Show InChI InChI=1S/C19H22N2O2/c1-19(2,3)11-6-5-7-12-21(4)16-10-8-9-15-14(16)13-17(22)18(23)20-15/h8-10,17,22H,12-13H2,1-4H3,(H,20,23)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	9.66E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Candida albicans chitin synthase				Citation and Details Article DOI: 10.1007/s00044-012-0177-9 BindingDB Entry DOI: 10.7270/Q21N8422
					More data for this Ligand-Target Pair

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