Compile Data Set for Download or QSAR

Found 10 hits of ki for UniProtKB: P23316   

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
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