Compile Data Set for Download or QSAR

Found 536 hits Enz. Inhib. hit(s) with Target = 'Sortase'   

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
Sortase family protein (Staphylococcus aureus)	BDBM50196039 (CHEMBL3946282) Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@]1([H])CCCN1C(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC2=O)C(=O)NCC(O)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)c3 |r| Show InChI InChI=1S/C64H95N19O16S3/c1-33(2)18-42-61(97)83-17-7-11-49(83)63(99)82-16-6-10-48(82)60(96)79-44(53(89)71-24-51(86)87)29-100-26-35-19-36-21-37(20-35)28-102-31-46(62(98)81-15-5-9-47(81)59(95)74-40(55(91)76-42)12-13-50(66)85)80-54(90)39(8-4-14-70-64(67)68)73-57(93)43(25-84)77-56(92)41(22-38-23-69-32-72-38)75-58(94)45(30-101-27-36)78-52(88)34(3)65/h19-21,23,32-34,39-49,84H,4-18,22,24-31,65H2,1-3H3,(H2,66,85)(H,69,72)(H,71,89)(H,73,93)(H,74,95)(H,75,94)(H,76,91)(H,77,92)(H,78,88)(H,79,96)(H,80,90)(H,86,87)(H4,67,68,70)/t34-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50196049 (CHEMBL3918395) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CSCc1cc3CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSCc(c1)c3)NC(=O)[C@]1([H])CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC2=O)C(=O)NCC(O)=O)NC(=O)[C@H](C)N |r| Show InChI InChI=1S/C63H95N13O17S3/c1-32(2)17-39-54(84)67-41(23-50(78)79)56(86)71-44(53(83)65-24-51(80)81)29-94-26-36-20-37-22-38(21-36)28-96-31-46(73-52(82)35(7)64)62(92)74-14-8-11-47(74)59(89)68-40(18-33(3)4)55(85)69-42(19-34(5)6)61(91)76-16-10-13-49(76)63(93)75-15-9-12-48(75)60(90)72-45(30-95-27-37)58(88)70-43(25-77)57(87)66-39/h20-22,32-35,39-49,77H,8-19,23-31,64H2,1-7H3,(H,65,83)(H,66,87)(H,67,84)(H,68,89)(H,69,85)(H,70,88)(H,71,86)(H,72,90)(H,73,82)(H,78,79)(H,80,81)/t35-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50196057 (CHEMBL3901413) Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@]1([H])CCCN1C(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC2=O)C(=O)NCC(O)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)c3 |r| Show InChI InChI=1S/C62H95N17O17S3/c1-31(2)19-39-59(94)79-18-8-12-46(79)61(96)78-17-7-11-45(78)57(92)74-41(51(86)68-23-48(83)84)28-97-25-34-20-35-22-36(21-34)27-99-30-43(60(95)77-16-6-10-44(77)56(91)70-38(53(88)71-39)13-14-47(64)82)75-52(87)37(9-5-15-67-62(65)66)69-54(89)40(24-80)72-58(93)49(33(4)81)76-55(90)42(29-98-26-35)73-50(85)32(3)63/h20-22,31-33,37-46,49,80-81H,5-19,23-30,63H2,1-4H3,(H2,64,82)(H,68,86)(H,69,89)(H,70,91)(H,71,88)(H,72,93)(H,73,85)(H,74,92)(H,75,87)(H,76,90)(H,83,84)(H4,65,66,67)/t32-,33+,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,49-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50410851 (CHEMBL5269064) Show SMILES CNc1cccc(NC(=O)CN2N=C(c3ccccn3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:12| Show InChI InChI=1S/C28H30N6O3/c1-28(2,3)24(35)17-33-23-14-6-5-12-21(23)26(22-13-7-8-15-30-22)32-34(27(33)37)18-25(36)31-20-11-9-10-19(16-20)29-4/h5-16,29H,17-18H2,1-4H3,(H,31,36)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Relative binding affinity for human estrogen receptor beta by displacement of [3H]estradiol				Citation and Details
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50410850 (CHEMBL5287849) Show SMILES CCOCCNc1cccc(NC(=O)CN2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:16| Show InChI InChI=1S/C32H43N5O4/c1-5-41-19-18-33-24-14-11-15-25(20-24)34-29(39)22-37-31(40)36(21-28(38)32(2,3)4)27-17-10-9-16-26(27)30(35-37)23-12-7-6-8-13-23/h9-11,14-17,20,23,33H,5-8,12-13,18-19,21-22H2,1-4H3,(H,34,39)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Relative binding affinity for sheep uterine estrogen receptor by displacement of [3H]estradiol				Citation and Details
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50196048 (CHEMBL3954877) Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@]1([H])CCCN1C(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC2=O)C(=O)NCC(N)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@]([H])([C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1)c3 |r| Show InChI InChI=1S/C64H99N19O16S3/c1-32(2)21-41-61(97)83-20-8-12-47(83)63(99)82-19-7-11-46(82)59(95)78-42(53(89)72-25-50(68)87)29-100-26-35-22-36-24-37(23-35)28-102-31-44(62(98)81-18-6-10-45(81)58(94)74-39(56(92)76-41)13-15-48(66)85)79-54(90)38(9-5-17-71-64(69)70)73-55(91)40(14-16-49(67)86)75-60(96)51(34(4)84)80-57(93)43(30-101-27-36)77-52(88)33(3)65/h22-24,32-34,38-47,51,84H,5-21,25-31,65H2,1-4H3,(H2,66,85)(H2,67,86)(H2,68,87)(H,72,89)(H,73,91)(H,74,94)(H,75,96)(H,76,92)(H,77,88)(H,78,95)(H,79,90)(H,80,93)(H4,69,70,71)/t33-,34+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,51-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50590366 (CHEMBL5174805) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)cc1 Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00316j BindingDB Entry DOI: 10.7270/Q23200VF
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50196053 (CHEMBL3940052) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CSCc1cc3CSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@]([H])(CSCc(c1)c3)NC(=O)[C@]1([H])CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC2=O)C(=O)NCC(N)=O)NC(=O)[C@H](C)N |r| Show InChI InChI=1S/C61H90N14O17S3/c1-30(2)16-37-53(84)69-40(17-31(3)4)59(90)75-15-9-12-46(75)61(92)74-14-8-11-45(74)58(89)71-42-28-94-25-35-18-34(19-36(20-35)26-95-29-43(72-50(81)32(5)62)60(91)73-13-7-10-44(73)57(88)68-37)24-93-27-41(52(83)64-23-47(63)76)70-55(86)39(22-49(79)80)67-54(85)38(21-48(77)78)66-51(82)33(6)65-56(42)87/h18-20,30-33,37-46H,7-17,21-29,62H2,1-6H3,(H2,63,76)(H,64,83)(H,65,87)(H,66,82)(H,67,85)(H,68,88)(H,69,84)(H,70,86)(H,71,89)(H,72,81)(H,77,78)(H,79,80)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50271715 (CHEMBL4125701) Show SMILES [H][C@@]12CC(=O)O[C@]1([H])C1=C([C@@H](CCc3ccccc3)O2)C(=O)C=CC1=O |r,c:9,25| Show InChI InChI=1S/C19H16O5/c20-12-7-8-13(21)18-17(12)14(9-6-11-4-2-1-3-5-11)23-15-10-16(22)24-19(15)18/h1-5,7-8,14-15,19H,6,9-10H2/t14-,15-,19+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Irreversible inhibition of Staphylococcus aureus SrtA deltaN24 mutant transpeptidation activity using abz-LPATG-dnp as substrate incubated for 5 to 2...				Bioorg Med Chem Lett 28: 1864-1869 (2018) Article DOI: 10.1016/j.bmcl.2018.04.005 BindingDB Entry DOI: 10.7270/Q20C4Z7N
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50271715 (CHEMBL4125701) Show SMILES [H][C@@]12CC(=O)O[C@]1([H])C1=C([C@@H](CCc3ccccc3)O2)C(=O)C=CC1=O |r,c:9,25| Show InChI InChI=1S/C19H16O5/c20-12-7-8-13(21)18-17(12)14(9-6-11-4-2-1-3-5-11)23-15-10-16(22)24-19(15)18/h1-5,7-8,14-15,19H,6,9-10H2/t14-,15-,19+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars		3.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SiaTnTRI2-induced activation of CD69 high in human lymphocytes assessed as InsP3 production				Citation and Details
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50195964 (CHEMBL3952582) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CSCc1cc3CSC[C@H](NC(=O)[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSCc(c3)c1)NC(=O)[C@]1([H])CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)NCC(N)=O)NC(=O)[C@H](C)N |r| Show InChI InChI=1S/C63H98N18O15S3/c1-32(2)20-40-60(94)81-19-9-12-46(81)62(96)80-18-8-11-45(80)58(92)74-42-30-98-27-36-21-35(22-37(23-36)28-99-31-43(75-51(85)34(5)64)61(95)79-17-7-10-44(79)57(91)71-39(55(89)72-40)14-15-47(65)83)26-97-29-41(54(88)70-24-48(66)84)73-52(86)38(25-82)53(87)78-50(33(3)4)59(93)77-49(76-56(42)90)13-6-16-69-63(67)68/h21-23,32-34,38-46,49-50,82H,6-20,24-31,64H2,1-5H3,(H2,65,83)(H2,66,84)(H,70,88)(H,71,91)(H,72,89)(H,73,86)(H,74,92)(H,75,85)(H,76,90)(H,77,93)(H,78,87)(H4,67,68,69)/t34-,38+,39-,40-,41-,42-,43-,44-,45-,46-,49+,50-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50195940 (CHEMBL3969617) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CSCc1cc3CSC[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@]([H])(CSCc(c3)c1)NC(=O)[C@]1([H])CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC2=O)C(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](C)N |r| Show InChI InChI=1S/C63H98N18O15S3/c1-32(2)20-40-60(94)81-19-9-13-47(81)62(96)80-18-8-12-46(80)58(92)76-43-30-98-27-36-21-35(22-37(23-36)28-99-31-44(77-51(85)34(5)64)61(95)79-17-7-11-45(79)57(91)72-39(53(87)73-40)14-15-48(65)83)26-97-29-42(52(86)70-24-49(66)84)75-55(89)41(25-82)74-59(93)50(33(3)4)78-54(88)38(71-56(43)90)10-6-16-69-63(67)68/h21-23,32-34,38-47,50,82H,6-20,24-31,64H2,1-5H3,(H2,65,83)(H2,66,84)(H,70,86)(H,71,90)(H,72,91)(H,73,87)(H,74,93)(H,75,89)(H,76,92)(H,77,85)(H,78,88)(H4,67,68,69)/t34-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47-,50-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50196058 (CHEMBL3900056) Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CSCc1cccc(CSC[C@]([H])(NC2=O)C(=O)NCC(N)=O)c1)NC(=O)[C@H](C)N |r| Show InChI InChI=1S/C45H67N11O10S2/c1-25(2)18-30-43(64)56-17-7-12-35(56)45(66)55-16-6-11-34(55)42(63)52-31(39(60)49-20-37(48)58)23-67-21-27-8-4-9-28(19-27)22-68-24-32(53-38(59)26(3)46)44(65)54-15-5-10-33(54)41(62)50-29(40(61)51-30)13-14-36(47)57/h4,8-9,19,25-26,29-35H,5-7,10-18,20-24,46H2,1-3H3,(H2,47,57)(H2,48,58)(H,49,60)(H,50,62)(H,51,61)(H,52,63)(H,53,59)/t26-,29-,30-,31-,32-,33-,34-,35-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50196054 (CHEMBL3953635) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N4CCC[C@@]4([H])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@@]4([H])C(=O)N4CCC[C@@]4([H])C(=O)N1)cc(CSC[C@H](NC2=O)C(=O)NCC(N)=O)c3 |r| Show InChI InChI=1S/C69H99N15O15S3/c1-37(2)24-46-61(91)77-48(29-40-14-16-44(85)17-15-40)67(97)81-20-6-11-53(81)64(94)78-49(59(89)73-30-57(72)87)34-100-31-41-26-42-28-43(27-41)33-102-36-51(80-58(88)39(5)70)68(98)82-21-7-10-52(82)63(93)74-45(18-19-56(71)86)60(90)76-47(25-38(3)4)66(96)84-23-9-13-55(84)69(99)83-22-8-12-54(83)65(95)79-50(35-101-32-42)62(92)75-46/h14-17,26-28,37-39,45-55,85H,6-13,18-25,29-36,70H2,1-5H3,(H2,71,86)(H2,72,87)(H,73,89)(H,74,93)(H,75,92)(H,76,90)(H,77,91)(H,78,94)(H,79,95)(H,80,88)/t39-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50410852 (CHEMBL5285322) Show SMILES CNc1cccc(NC(=O)C[C@H]2N=C(C3CCCCC3)c3ccccc3N(CC(=O)C(C)(C)C)C2=O)c1 |t:12| Show InChI InChI=1S/C30H38N4O3/c1-30(2,3)26(35)19-34-25-16-9-8-15-23(25)28(20-11-6-5-7-12-20)33-24(29(34)37)18-27(36)32-22-14-10-13-21(17-22)31-4/h8-10,13-17,20,24,31H,5-7,11-12,18-19H2,1-4H3,(H,32,36)/t24-/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Relative binding affinity for human estrogen receptor alpha by displacement of [3H]-estradiol				Citation and Details
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50196050 (CHEMBL3971298) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)NCC(N)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N2CCC[C@@]2([H])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N1)c3 |r| Show InChI InChI=1S/C72H108N18O15S3/c1-38(2)22-47-63(96)82-50(24-40(5)6)70(103)90-21-11-15-57(90)72(105)89-20-10-14-56(89)68(101)85-52-35-107-32-43-25-42(26-44(27-43)33-108-36-53(86-60(93)41(7)73)71(104)88-19-9-13-55(88)67(100)81-47)31-106-34-51(61(94)77-30-59(75)92)84-62(95)46(16-17-58(74)91)79-66(99)54-12-8-18-87(54)69(102)49(23-39(3)4)83-64(97)48(80-65(52)98)28-45-29-76-37-78-45/h25-27,29,37-41,46-57H,8-24,28,30-36,73H2,1-7H3,(H2,74,91)(H2,75,92)(H,76,78)(H,77,94)(H,79,99)(H,80,98)(H,81,100)(H,82,96)(H,83,97)(H,84,95)(H,85,101)(H,86,93)/t41-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50196060 (CHEMBL3916850) Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1)cc(CSC[C@H](NC2=O)C(=O)NCC(N)=O)c3)[C@@H](C)CC |r| Show InChI InChI=1S/C82H125N19O21S4/c1-11-43(6)66-80(120)93-56(27-42(4)5)81(121)101-24-13-15-63(101)82(122)100-23-12-14-62(100)79(119)98-59(70(110)86-32-65(85)106)38-124-35-48-28-49-30-50(29-48)37-126-40-61(78(118)95-57(33-102)75(115)94-58(34-103)76(116)99-66)97-73(113)54(26-41(2)3)91-69(109)46(9)87-68(108)45(8)88-71(111)52(20-21-64(84)105)89-74(114)55(31-47-16-18-51(104)19-17-47)92-72(112)53(22-25-123-10)90-77(117)60(39-125-36-49)96-67(107)44(7)83/h16-19,28-30,41-46,52-63,66,102-104H,11-15,20-27,31-40,83H2,1-10H3,(H2,84,105)(H2,85,106)(H,86,110)(H,87,108)(H,88,111)(H,89,114)(H,90,117)(H,91,109)(H,92,112)(H,93,120)(H,94,115)(H,95,118)(H,96,107)(H,97,113)(H,98,119)(H,99,116)/t43-,44-,45-,46-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,66-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	9.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50196059 (CHEMBL3941715) Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]1CSCc3cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@@]4([H])C(=O)N4CCC[C@@]4([H])C(=O)N1)cc(CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)NCC(N)=O)c3 |r| Show InChI InChI=1S/C67H101N17O17S3/c1-6-35(4)54-63(97)75-41(21-34(2)3)64(98)83-19-9-13-49(83)66(100)82-18-8-12-48(82)62(96)79-46-33-104-30-39-23-37(22-38(24-39)29-103-32-45(77-55(89)36(5)68)60(94)76-43(27-85)58(92)80-54)28-102-31-44(56(90)72-26-53(71)88)78-57(91)40(15-16-51(69)86)73-61(95)47-11-7-17-81(47)67(101)50-14-10-20-84(50)65(99)42(25-52(70)87)74-59(46)93/h22-24,34-36,40-50,54,85H,6-21,25-33,68H2,1-5H3,(H2,69,86)(H2,70,87)(H2,71,88)(H,72,90)(H,73,95)(H,74,93)(H,75,97)(H,76,94)(H,77,89)(H,78,91)(H,79,96)(H,80,92)/t35-,36-,40-,41-,42+,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50196046 (CHEMBL3922106) Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CO)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@@]4([H])C(=O)N4CCC[C@@]4([H])C(=O)N1)cc(CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)NCC(N)=O)c3 |r| Show InChI InChI=1S/C67H101N17O17S3/c1-6-35(4)54-63(97)75-41(21-34(2)3)64(98)83-19-9-13-49(83)66(100)82-18-8-12-48(82)62(96)79-46-33-104-30-39-23-37(22-38(24-39)29-103-32-45(77-55(89)36(5)68)60(94)76-43(27-85)58(92)80-54)28-102-31-44(56(90)72-26-53(71)88)78-57(91)40(15-16-51(69)86)73-61(95)47-11-7-17-81(47)67(101)50-14-10-20-84(50)65(99)42(25-52(70)87)74-59(46)93/h22-24,34-36,40-50,54,85H,6-21,25-33,68H2,1-5H3,(H2,69,86)(H2,70,87)(H2,71,88)(H,72,90)(H,73,95)(H,74,93)(H,75,97)(H,76,94)(H,77,89)(H,78,91)(H,79,96)(H,80,92)/t35-,36-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50196056 (CHEMBL3937400) Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSCc1cc3CSC[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@]([H])(CSCc(c3)c1)NC2=O)C(=O)NCC(N)=O)NC(=O)[C@H](C)N |r| Show InChI InChI=1S/C67H98N18O17S3/c1-35(2)22-45-65(101)85-21-9-14-51(85)66(102)84-20-8-13-50(84)64(100)83-49-34-105-31-40-24-38(23-39(25-40)30-104-33-48(81-55(91)36(3)68)62(98)75-41(12-7-19-73-67(71)72)57(93)76-42(58(94)79-45)15-17-52(69)87)29-103-32-47(56(92)74-27-53(70)88)82-59(95)43(16-18-54(89)90)77-60(96)44(26-37-10-5-4-6-11-37)78-61(97)46(28-86)80-63(49)99/h4-6,10-11,23-25,35-36,41-51,86H,7-9,12-22,26-34,68H2,1-3H3,(H2,69,87)(H2,70,88)(H,74,92)(H,75,98)(H,76,93)(H,77,96)(H,78,97)(H,79,94)(H,80,99)(H,81,91)(H,82,95)(H,83,100)(H,89,90)(H4,71,72,73)/t36-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50196061 (CHEMBL3977996) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@@]4([H])C(=O)N4CCC[C@@]4([H])C(=O)N1)cc(CSC[C@H](NC2=O)C(=O)NCC(N)=O)c3 |r| Show InChI InChI=1S/C61H93N15O16S3/c1-31(2)17-38-53(84)66-37(12-13-48(63)79)52(83)68-39(18-32(3)4)59(90)76-16-8-11-47(76)61(92)75-15-7-10-46(75)58(89)73-44-30-95-27-36-20-34(19-35(21-36)26-94-29-43(55(86)67-38)71-50(81)33(5)62)25-93-28-42(51(82)65-22-49(64)80)72-57(88)45-9-6-14-74(45)60(91)41(24-78)70-54(85)40(23-77)69-56(44)87/h19-21,31-33,37-47,77-78H,6-18,22-30,62H2,1-5H3,(H2,63,79)(H2,64,80)(H,65,82)(H,66,84)(H,67,86)(H,68,83)(H,69,87)(H,70,85)(H,71,81)(H,72,88)(H,73,89)/t33-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50201782 (1-(3,4-dichlorophenyl)-3-(dimethylamino)propan-1-o...) Show SMILES CN(C)CCC(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C11H13Cl2NO/c1-14(2)6-5-11(15)8-3-4-9(12)10(13)7-8/h3-4,7H,5-6H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chicago Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus sortase A				J Biol Chem 282: 23129-39 (2007) Article DOI: 10.1074/jbc.M701857200 BindingDB Entry DOI: 10.7270/Q2H41SB1
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50196052 (CHEMBL3933798) Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC2=O)C(=O)NCC(N)=O)cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@@]2([H])C(=O)N2CCC[C@@]2([H])C(=O)N1)c3 |r| Show InChI InChI=1S/C68H98N16O15S3/c1-36(2)22-44-60(91)78-47(23-37(3)4)66(97)84-21-11-16-53(84)68(99)83-20-10-15-52(83)65(96)81-50-35-102-32-42-25-40(24-41(26-42)31-101-34-49(79-57(88)38(5)69)63(94)74-43(59(90)75-44)17-18-54(70)85)30-100-33-48(58(89)73-29-56(72)87)80-62(93)46(28-55(71)86)76-61(92)45(27-39-12-7-6-8-13-39)77-64(95)51-14-9-19-82(51)67(50)98/h6-8,12-13,24-26,36-38,43-53H,9-11,14-23,27-35,69H2,1-5H3,(H2,70,85)(H2,71,86)(H2,72,87)(H,73,89)(H,74,94)(H,75,90)(H,76,92)(H,77,95)(H,78,91)(H,79,88)(H,80,93)(H,81,96)/t38-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	1.93E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50196047 (CHEMBL3959901) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@@]4([H])C(=O)N4CCC[C@@]4([H])C(=O)N1)cc(CSC[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)NCC(N)=O)c3 |r| Show InChI InChI=1S/C64H100N18O14S3/c1-7-34(4)51-60(93)75-42(22-33(2)3)62(95)82-21-11-15-48(82)63(96)81-20-10-14-47(81)59(92)78-45-32-99-29-39-24-37(23-38(25-39)28-98-31-44(76-52(85)35(5)65)56(89)72-36(6)53(86)79-51)27-97-30-43(54(87)71-26-50(67)84)77-55(88)40(12-8-18-70-64(68)69)73-58(91)46-13-9-19-80(46)61(94)41(74-57(45)90)16-17-49(66)83/h23-25,33-36,40-48,51H,7-22,26-32,65H2,1-6H3,(H2,66,83)(H2,67,84)(H,71,87)(H,72,89)(H,73,91)(H,74,90)(H,75,93)(H,76,85)(H,77,88)(H,78,92)(H,79,86)(H4,68,69,70)/t34-,35-,36-,40-,41-,42-,43+,44-,45-,46-,47-,48-,51-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50195939 (CHEMBL3948181) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CCC(N)=O)NC(=O)[C@]1([H])CSCc3cc(CSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](C)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@@]4([H])C(=O)N4CCC[C@@]4([H])C(=O)N1)cc(CSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC2=O)C(=O)NCC(N)=O)c3 |r| Show InChI InChI=1S/C64H100N18O14S3/c1-7-34(4)51-60(93)75-42(22-33(2)3)62(95)82-21-11-15-48(82)63(96)81-20-10-14-47(81)59(92)78-45-32-99-29-39-24-37(23-38(25-39)28-98-31-44(76-52(85)35(5)65)56(89)72-36(6)53(86)79-51)27-97-30-43(54(87)71-26-50(67)84)77-55(88)40(12-8-18-70-64(68)69)73-58(91)46-13-9-19-80(46)61(94)41(74-57(45)90)16-17-49(66)83/h23-25,33-36,40-48,51H,7-22,26-32,65H2,1-6H3,(H2,66,83)(H2,67,84)(H,71,87)(H,72,89)(H,73,91)(H,74,90)(H,75,93)(H,76,85)(H,77,88)(H,78,92)(H,79,86)(H4,68,69,70)/t34-,35-,36-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50196055 (CHEMBL3932742) Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@H](CSCc1cc3CSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@]4([H])CCCN4C(=O)[C@@]([H])(NC(=O)[C@H](CSCc(c1)c3)NC2=O)[C@@H](C)O)C(=O)NCC(N)=O)NC(=O)[C@H](C)N)[C@@H](C)O |r| Show InChI InChI=1S/C67H102N16O19S3/c1-32(2)19-41-58(93)75-43(20-33(3)4)65(100)83-18-10-13-49(83)66(101)81-16-8-11-47(81)63(98)78-46-31-105-28-39-22-37(21-38(23-39)27-104-30-45(76-55(90)34(5)68)60(95)79-53(35(6)84)64(99)74-41)26-103-29-44(56(91)71-25-51(70)87)77-57(92)40(14-15-50(69)86)72-59(94)42(24-52(88)89)73-62(97)48-12-9-17-82(48)67(102)54(36(7)85)80-61(46)96/h21-23,32-36,40-49,53-54,84-85H,8-20,24-31,68H2,1-7H3,(H2,69,86)(H2,70,87)(H,71,91)(H,72,94)(H,73,97)(H,74,99)(H,75,93)(H,76,90)(H,77,92)(H,78,98)(H,79,95)(H,80,96)(H,88,89)/t34-,35+,36+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,53-,54-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	3.21E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50196038 (CHEMBL3940372) Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSCc1cc3CSC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CSCc(c1)c3)NC2=O)C(=O)NCC(N)=O)NC(=O)[C@H](C)N)[C@@H](C)CC |r| Show InChI InChI=1S/C68H106N22O18S3/c1-6-36(4)57-65(106)85-43(18-35(2)3)66(107)90-17-9-12-48(90)67(108)89-16-8-11-47(89)64(105)87-45-33-110-30-39-19-38(20-40(21-39)31-111-34-46(86-58(99)37(5)69)63(104)84-42(13-14-49(70)91)60(101)80-28-56(98)88-57)29-109-32-44(61(102)78-22-50(71)92)83-54(96)26-77-52(94)24-75-51(93)23-76-53(95)25-79-59(100)41(10-7-15-74-68(72)73)82-55(97)27-81-62(45)103/h19-21,35-37,41-48,57H,6-18,22-34,69H2,1-5H3,(H2,70,91)(H2,71,92)(H,75,93)(H,76,95)(H,77,94)(H,78,102)(H,79,100)(H,80,101)(H,81,103)(H,82,97)(H,83,96)(H,84,104)(H,85,106)(H,86,99)(H,87,105)(H,88,98)(H4,72,73,74)/t36-,37-,41-,42-,43-,44-,45-,46-,47-,48-,57-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50196063 (CHEMBL3914772) Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CSCc1cc3CSC[C@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CSCc(c1)c3)NC2=O)C(=O)NCC(N)=O)NC(=O)[C@H](C)N)[C@@H](C)CC |r| Show InChI InChI=1S/C66H103N21O17S3/c1-6-35(4)55-63(102)82-42(18-34(2)3)64(103)87-17-9-12-47(87)65(104)86-16-8-11-46(86)62(101)84-44-32-106-29-38-19-37(20-39(21-38)30-107-33-45(83-56(95)36(5)67)61(100)81-41(13-14-48(68)88)58(97)77-27-54(94)85-55)28-105-31-43(59(98)75-22-49(69)89)80-52(92)25-74-50(90)23-73-51(91)24-76-57(96)40(10-7-15-72-66(70)71)79-53(93)26-78-60(44)99/h19-21,34-36,40-47,55H,6-18,22-33,67H2,1-5H3,(H2,68,88)(H2,69,89)(H,73,91)(H,74,90)(H,75,98)(H,76,96)(H,77,97)(H,78,99)(H,79,93)(H,80,92)(H,81,100)(H,82,102)(H,83,95)(H,84,101)(H,85,94)(H4,70,71,72)/t35-,36-,40-,41-,42-,43-,44-,45-,46-,47-,55-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	4.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50195941 (CHEMBL3931025) Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CSCc1cc3CSC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@]([H])(CSCc(c3)c1)NC2=O)C(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](C)N |r| Show InChI InChI=1S/C72H107N19O18S3/c1-36(2)24-49-70(108)91-23-9-12-54(91)71(109)90-22-8-11-53(90)68(106)87-51-34-111-31-42-25-41(26-43(27-42)32-112-35-52(86-59(97)38(5)73)67(105)82-45(10-7-21-78-72(76)77)62(100)83-46(64(102)85-49)17-19-55(74)93)30-110-33-50(61(99)79-29-56(75)94)88-69(107)58(37(3)4)89-65(103)48(28-40-13-15-44(92)16-14-40)84-63(101)47(18-20-57(95)96)81-60(98)39(6)80-66(51)104/h13-16,25-27,36-39,45-54,58,92H,7-12,17-24,28-35,73H2,1-6H3,(H2,74,93)(H2,75,94)(H,79,99)(H,80,104)(H,81,98)(H,82,105)(H,83,100)(H,84,101)(H,85,102)(H,86,97)(H,87,106)(H,88,107)(H,89,103)(H,95,96)(H4,76,77,78)/t38-,39-,45-,46-,47-,48-,49-,50+,51-,52+,53-,54-,58-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	4.55E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50196051 (CHEMBL3960224) Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CSCc1cc3CSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@]([H])(CSCc(c3)c1)NC2=O)C(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](C)N |r| Show InChI InChI=1S/C72H107N19O18S3/c1-36(2)24-49-70(108)91-23-9-12-54(91)71(109)90-22-8-11-53(90)68(106)87-51-34-111-31-42-25-41(26-43(27-42)32-112-35-52(86-59(97)38(5)73)67(105)82-45(10-7-21-78-72(76)77)62(100)83-46(64(102)85-49)17-19-55(74)93)30-110-33-50(61(99)79-29-56(75)94)88-69(107)58(37(3)4)89-65(103)48(28-40-13-15-44(92)16-14-40)84-63(101)47(18-20-57(95)96)81-60(98)39(6)80-66(51)104/h13-16,25-27,36-39,45-54,58,92H,7-12,17-24,28-35,73H2,1-6H3,(H2,74,93)(H2,75,94)(H,79,99)(H,80,104)(H,81,98)(H,82,105)(H,83,100)(H,84,101)(H,85,102)(H,86,97)(H,87,106)(H,88,107)(H,89,103)(H,95,96)(H4,76,77,78)/t38-,39-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,58-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	4.55E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ecole Polytechnique F�d�rale de Lausanne Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus His6-biotinylated SrtA expressed in Escherichia coli XL1-blue using Dabcyl-LPETG-Edans as substrate assessed as r...				ACS Med Chem Lett 7: 606-11 (2016) Article DOI: 10.1021/acsmedchemlett.6b00045 BindingDB Entry DOI: 10.7270/Q24M96G7
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50375782 (CHEMBL405826) Show SMILES C=CC(=O)c1cccs1 Show InChI InChI=1S/C7H6OS/c1-2-6(8)7-4-3-5-9-7/h2-5H,1H2	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	6.90E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chicago Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus sortase A				J Biol Chem 282: 23129-39 (2007) Article DOI: 10.1074/jbc.M701857200 BindingDB Entry DOI: 10.7270/Q2H41SB1
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50375783 (CHEMBL407492) Show SMILES CN(C)CCC(=O)c1cccs1 Show InChI InChI=1S/C9H13NOS/c1-10(2)6-5-8(11)9-4-3-7-12-9/h3-4,7H,5-6H2,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	9.32E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chicago Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus sortase A				J Biol Chem 282: 23129-39 (2007) Article DOI: 10.1074/jbc.M701857200 BindingDB Entry DOI: 10.7270/Q2H41SB1
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50203126 (3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...) Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC Show InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars		n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of beta-hematin formation after 18 hrs by microtiter plate assay				Citation and Details
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50203126 (3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrid...) Show SMILES COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC Show InChI InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of beta-hematin formation after 18 hrs by microtiter plate assay				Citation and Details
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50410879 (CHEMBL5268777) Show SMILES COc1nc2ccccc2nc1C(=O)Nc1ccc(O)c(CN2CCN(C)CC2)c1 Show InChI InChI=1S/C22H25N5O3/c1-26-9-11-27(12-10-26)14-15-13-16(7-8-19(15)28)23-21(29)20-22(30-2)25-18-6-4-3-5-17(18)24-20/h3-8,13,28H,9-12,14H2,1-2H3,(H,23,29)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of beta-hematin formation after 18 hrs by microtiter plate assay				Citation and Details
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50410891 (CHEMBL5290944) Show SMILES CCN1CCN(Cc2cc(NC(=O)c3nc4ccccc4nc3OC)cc(N3CCN(CC)CC3)c2O)CC1 Show InChI InChI=1S/C29H39N7O3/c1-4-33-10-12-35(13-11-33)20-21-18-22(19-25(27(21)37)36-16-14-34(5-2)15-17-36)30-28(38)26-29(39-3)32-24-9-7-6-8-23(24)31-26/h6-9,18-19,37H,4-5,10-17,20H2,1-3H3,(H,30,38)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of electric eel recombinant AChE				Citation and Details
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50027777 (CHEBI:69919 | Hydrastine) Show SMILES [H][C@@]1(OC(=O)c2c1ccc(OC)c2OC)[C@]1([H])N(C)CCc2cc3OCOc3cc12 Show InChI InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars		n/a	n/a	>80	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of beta-hematin formation after 18 hrs by microtiter plate assay				Citation and Details
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Sortase family protein (Staphylococcus aureus)	BDBM50410885 (CHEMBL5269466) Show SMILES COc1nc2ccccc2nc1C(=O)Nc1ccc(O)c(CN2CCCCC2)c1 Show InChI InChI=1S/C22H24N4O3/c1-29-22-20(24-17-7-3-4-8-18(17)25-22)21(28)23-16-9-10-19(27)15(13-16)14-26-11-5-2-6-12-26/h3-4,7-10,13,27H,2,5-6,11-12,14H2,1H3,(H,23,28)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of SiaTnTRI2-induced activation of CD69 high in human lymphocytes assessed as InsP2 production				Citation and Details
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM33314 (pyridazinone, 2-1 | pyridazinone, 2-10) Show SMILES CCOc1c(S)cnn(-c2ccccc2)c1=O Show InChI InChI=1S/C12H12N2O2S/c1-2-16-11-10(17)8-13-14(12(11)15)9-6-4-3-5-7-9/h3-8,17H,2H2,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.5	25
University of California at Los Angeles					Assay Description A total of 30,000 chemical compounds (DiverSet Chemically Diverse Library and Combichem Library, ChemBridge Corp.) were screened for SrtA inhibition ...				Bioorg Med Chem 17: 7174-85 (2009) Article DOI: 10.1016/j.bmc.2009.08.067 BindingDB Entry DOI: 10.7270/Q26W98F0
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50410888 (CHEMBL5268517) Show SMILES COc1nc2ccccc2nc1C(=O)Nc1ccc(O)c(CN2CCCC2)c1 Show InChI InChI=1S/C21H22N4O3/c1-28-21-19(23-16-6-2-3-7-17(16)24-21)20(27)22-15-8-9-18(26)14(12-15)13-25-10-4-5-11-25/h2-3,6-9,12,26H,4-5,10-11,13H2,1H3,(H,22,27)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse recombinant AChE				Citation and Details
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM33374 (pyrazolethione, 3-12) Show SMILES Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1c(Br)cc(Br)cc1Br |w:13.14| Show InChI InChI=1S/C17H12Br3N3S/c1-10-13(9-21-16-14(19)7-11(18)8-15(16)20)17(24)23(22-10)12-5-3-2-4-6-12/h2-9,22H,1H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	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 California at Los Angeles					Assay Description A total of 30,000 chemical compounds (DiverSet Chemically Diverse Library and Combichem Library, ChemBridge Corp.) were screened for SrtA inhibition ...				Bioorg Med Chem 17: 7174-85 (2009) Article DOI: 10.1016/j.bmc.2009.08.067 BindingDB Entry DOI: 10.7270/Q26W98F0
					More data for this Ligand-Target Pair
Sortase A (Bacillus anthracis)	BDBM33322 (pyridazinone, 2-9) Show SMILES CCSc1c(S)cnn(-c2ccccc2)c1=O Show InChI InChI=1S/C12H12N2OS2/c1-2-17-11-10(16)8-13-14(12(11)15)9-6-4-3-5-7-9/h3-8,16H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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 California at Los Angeles					Assay Description A total of 30,000 chemical compounds (DiverSet Chemically Diverse Library and Combichem Library, ChemBridge Corp.) were screened for SrtA inhibition ...				Bioorg Med Chem 17: 7174-85 (2009) Article DOI: 10.1016/j.bmc.2009.08.067 BindingDB Entry DOI: 10.7270/Q26W98F0
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50033731 ((R)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl...) Show SMILES CC(C)C=CC(=O)c1cc(O)c2c(O)ccc(O)c2c1O |w:4.4| Show InChI InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3-8,18-21H,1-2H3	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus SrtA deltaN24 mutant transpeptidation activity using abz-LPATG-dnp as substrate preincubated for 10 mins followed...				Bioorg Med Chem Lett 28: 1864-1869 (2018) Article DOI: 10.1016/j.bmcl.2018.04.005 BindingDB Entry DOI: 10.7270/Q20C4Z7N
					More data for this Ligand-Target Pair
Sortase A (Bacillus anthracis)	BDBM33348 (pyridazinone, 2-35) Show SMILES CCOc1cnn(-c2ccccc2)c(=O)c1Cl Show InChI InChI=1S/C12H11ClN2O2/c1-2-17-10-8-14-15(12(16)11(10)13)9-6-4-3-5-7-9/h3-8H,2H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of California at Los Angeles					Assay Description A total of 30,000 chemical compounds (DiverSet Chemically Diverse Library and Combichem Library, ChemBridge Corp.) were screened for SrtA inhibition ...				Bioorg Med Chem 17: 7174-85 (2009) Article DOI: 10.1016/j.bmc.2009.08.067 BindingDB Entry DOI: 10.7270/Q26W98F0
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50590366 (CHEMBL5174805) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)cc1 Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00316j BindingDB Entry DOI: 10.7270/Q23200VF
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50271717 (CHEMBL4127840) Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6@H](-[#8])-c1cc(-[#8])c2-[#6](=O)-[#6]=[#6]-[#6](=O)-c2c1-[#8] |r,c:14| Show InChI InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17,20-21H,4H2,1-2H3/t10-/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica Curated by ChEMBL					Assay Description Inhibition of Staphylococcus aureus SrtA deltaN24 mutant transpeptidation activity using abz-LPATG-dnp as substrate preincubated for 10 mins followed...				Bioorg Med Chem Lett 28: 1864-1869 (2018) Article DOI: 10.1016/j.bmcl.2018.04.005 BindingDB Entry DOI: 10.7270/Q20C4Z7N
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50590366 (CHEMBL5174805) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)cc1 Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00316j BindingDB Entry DOI: 10.7270/Q23200VF
					More data for this Ligand-Target Pair
Sortase A (Bacillus anthracis)	BDBM33333 (pyridazinone, 2-20) Show SMILES CCOc1cnn(-c2cccc(C)c2)c(=O)c1S Show InChI InChI=1S/C13H14N2O2S/c1-3-17-11-8-14-15(13(16)12(11)18)10-6-4-5-9(2)7-10/h4-8,18H,3H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
University of California at Los Angeles					Assay Description A total of 30,000 chemical compounds (DiverSet Chemically Diverse Library and Combichem Library, ChemBridge Corp.) were screened for SrtA inhibition ...				Bioorg Med Chem 17: 7174-85 (2009) Article DOI: 10.1016/j.bmc.2009.08.067 BindingDB Entry DOI: 10.7270/Q26W98F0
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50590366 (CHEMBL5174805) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\[#6]=[#6]-2/[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-2=O)cc1 Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1039/d1md00316j BindingDB Entry DOI: 10.7270/Q23200VF
					More data for this Ligand-Target Pair
Sortase family protein (Staphylococcus aureus)	BDBM50410890 (CHEMBL5290647) Show SMILES CCOc1nc2ccccc2nc1C(=O)Nc1cc(CN2CCNCC2)c(O)c(c1)N1CCNCC1 Show InChI InChI=1S/C26H33N7O3/c1-2-36-26-23(30-20-5-3-4-6-21(20)31-26)25(35)29-19-15-18(17-32-11-7-27-8-12-32)24(34)22(16-19)33-13-9-28-10-14-33/h3-6,15-16,27-28,34H,2,7-14,17H2,1H3,(H,29,35)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of electric eel recombinant AChE				Citation and Details
					More data for this Ligand-Target Pair

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