Compile Data Set for Download or QSAR

Found 902 hits with Last Name = 'lei' and Initial = 'y'   

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
Coagulation factor XI (Homo sapiens (Human))	BDBM50063581 (CHEMBL3398612) Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccc2c(N)n[nH]c2c1 |r,wU:5.8,wD:2.1,11.11,(25.62,-40.59,;26.39,-39.26,;27.93,-39.26,;28.7,-40.59,;30.24,-40.59,;31.01,-39.26,;30.24,-37.93,;28.7,-37.93,;32.55,-39.26,;33.32,-40.59,;33.32,-37.93,;34.86,-37.93,;35.63,-39.26,;37.17,-39.26,;37.94,-37.93,;39.48,-37.93,;40.25,-39.26,;39.48,-40.59,;37.94,-40.59,;35.63,-36.59,;35.01,-35.19,;36.14,-34.15,;37.48,-34.93,;38.89,-34.3,;37.16,-36.43,;35.98,-32.62,;37.23,-31.72,;37.07,-30.19,;35.66,-29.56,;35.19,-28.09,;36.09,-26.85,;33.65,-28.09,;33.17,-29.56,;34.42,-30.47,;34.58,-32,)| Show InChI InChI=1S/C26H28ClN7O/c27-23-22(18-10-11-19-20(13-18)33-34-24(19)29)31-25(32-23)21(12-15-4-2-1-3-5-15)30-26(35)17-8-6-16(14-28)7-9-17/h1-5,10-11,13,16-17,21H,6-9,12,14,28-29H2,(H,30,35)/b22-18-/t16-,17-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50600091 (CHEMBL5191406) Show SMILES COCCNc1nc2ccc(cc2n1-c1ncnc(N)n1)C#CC1(O)CCCCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116700 BindingDB Entry DOI: 10.7270/Q2FN1B89
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572517 (CHEMBL4865339) Show SMILES CC1CC1C(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(cc3c2)C(O)=O)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572518 (CHEMBL4849470) Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)C2CCC2)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572513 (CHEMBL4862896) Show SMILES CC(C)CC(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(cc3c2)C(O)=O)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572515 (CHEMBL4863349) Show SMILES CC#CC(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(cc3c2)C(O)=O)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572519 (CHEMBL4849888) Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)C2CCCC2)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572514 (CHEMBL4854946) Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)C#C)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572520 (CHEMBL4875072) Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)C2CCCCC2)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572523 (CHEMBL4872704) Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2ncccn2)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572522 (CHEMBL4864164) Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2ccccn2)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572512 (CHEMBL4872406) Show SMILES CC(C)C(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(cc3c2)C(O)=O)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	156	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50053173 ((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-[1,2,3]triazol-...) Show SMILES C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O |r| Show InChI InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50572517 (CHEMBL4865339) Show SMILES CC1CC1C(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(cc3c2)C(O)=O)cc1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	192	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to plasma kallikrein (unknown origin) assessed as inhibition constant using D-Pro-Phe,Arg,pNa,2HCl as substrate preincubated for 10 ...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572516 (CHEMBL4856139) Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	259	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572507 (CHEMBL4854369) Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	356	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572521 (CHEMBL4868504) Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(NC(=O)c2ccccc2)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	366	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572511 (CHEMBL4846470) Show SMILES CC(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(cc3c2)C(O)=O)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	392	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572506 (CHEMBL4879256) Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	486	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572508 (CHEMBL4865716) Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	962	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518879 (CHEMBL4450911) Show SMILES C[C@H](CS)C(=O)N[C@H](B(O)O)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C15H18BNO3S/c1-10(9-21)15(18)17-14(16(19)20)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,14,19-21H,9H2,1H3,(H,17,18)/t10-,14+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518902 (CHEMBL4458011) Show SMILES C[C@H](CS)C(=O)N[C@H](B(O)O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C12H18BNO3S/c1-8-3-5-10(6-4-8)11(13(16)17)14-12(15)9(2)7-18/h3-6,9,11,16-18H,7H2,1-2H3,(H,14,15)/t9-,11+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572505 (CHEMBL4865036) Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572510 (CHEMBL4853234) Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(N)cc1)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.08E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518878 (CHEMBL4464588) Show SMILES COc1ccc(C[C@H](NC(=O)[C@H](C)CS)B(O)O)cc1 |r| Show InChI InChI=1S/C13H20BNO4S/c1-9(8-20)13(16)15-12(14(17)18)7-10-3-5-11(19-2)6-4-10/h3-6,9,12,17-18,20H,7-8H2,1-2H3,(H,15,16)/t9-,12+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.36E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518889 (CHEMBL4560468) Show SMILES C[C@H](CS)C(=O)N[C@@H](Cc1ccc(F)cc1)B(O)O |r| Show InChI InChI=1S/C12H17BFNO3S/c1-8(7-19)12(16)15-11(13(17)18)6-9-2-4-10(14)5-3-9/h2-5,8,11,17-19H,6-7H2,1H3,(H,15,16)/t8-,11+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50572517 (CHEMBL4865339) Show SMILES CC1CC1C(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(cc3c2)C(O)=O)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 7a (unknown origin) assessed as inhibition constant using CH3SO2-D-CHA-But-Arg-pNA,ACOH as substrate preincuba...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518901 (CHEMBL4468952) Show SMILES C[C@H](CS)C(=O)N[C@H](B(O)O)c1ccccc1 |r| Show InChI InChI=1S/C11H16BNO3S/c1-8(7-17)11(14)13-10(12(15)16)9-5-3-2-4-6-9/h2-6,8,10,15-17H,7H2,1H3,(H,13,14)/t8-,10+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.37E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518882 (CHEMBL4471138) Show SMILES OB(O)[C@@H](Cc1coc2ccccc12)NC(=O)CS |r| Show InChI InChI=1S/C12H14BNO4S/c15-12(7-19)14-11(13(16)17)5-8-6-18-10-4-2-1-3-9(8)10/h1-4,6,11,16-17,19H,5,7H2,(H,14,15)/t11-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.84E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572504 (CHEMBL4849487) Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(CC(O)=O)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572509 (CHEMBL4849735) Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)Nc1ccc2[nH]c(cc2c1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.32E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50572517 (CHEMBL4865339) Show SMILES CC1CC1C(=O)Nc1ccc(C[C@H](NC(=O)c2c(C)nc(-c3cccc(Cl)c3F)n2O)C(=O)Nc2ccc3[nH]c(cc3c2)C(O)=O)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 10a (unknown origin) assessed as inhibition constant using CH3OCO-D-CHA-Gly-Arg-pNA,ACOH as substrate preincub...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518890 (CHEMBL4439726) Show SMILES C[C@H](CS)C(=O)N[C@@H](Cc1coc2ccccc12)B(O)O |r| Show InChI InChI=1S/C14H18BNO4S/c1-9(8-21)14(17)16-13(15(18)19)6-10-7-20-12-5-3-2-4-11(10)12/h2-5,7,9,13,18-19,21H,6,8H2,1H3,(H,16,17)/t9-,13+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572500 (CHEMBL4874449) Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.18E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518907 (CHEMBL4472399) Show SMILES C[C@H](CS)C(=O)N[C@@H](B(O)O)c1ccc(C)cc1 |r| Show InChI InChI=1S/C12H18BNO3S/c1-8-3-5-10(6-4-8)11(13(16)17)14-12(15)9(2)7-18/h3-6,9,11,16-18H,7H2,1-2H3,(H,14,15)/t9-,11-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518892 (CHEMBL4453017) Show SMILES C[C@H](CS)C(=O)N[C@H](B(O)O)c1ccc(F)cc1 |r| Show InChI InChI=1S/C11H15BFNO3S/c1-7(6-18)11(15)14-10(12(16)17)8-2-4-9(13)5-3-8/h2-5,7,10,16-18H,6H2,1H3,(H,14,15)/t7-,10+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.42E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572498 (CHEMBL4864452) Show SMILES Cc1nc(-c2cccc(Cl)c2)n(O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518895 (CHEMBL4454286) Show SMILES C[C@H](CS)C(=O)N[C@@H](Cc1ccccc1)B(O)O |r| Show InChI InChI=1S/C12H18BNO3S/c1-9(8-18)12(15)14-11(13(16)17)7-10-5-3-2-4-6-10/h2-6,9,11,16-18H,7-8H2,1H3,(H,14,15)/t9-,11+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518887 (CHEMBL4527309) Show SMILES OB(O)[C@H](Cc1ccccc1)NC(=O)CCS |r| Show InChI InChI=1S/C11H16BNO3S/c14-11(6-7-17)13-10(12(15)16)8-9-4-2-1-3-5-9/h1-5,10,15-17H,6-8H2,(H,13,14)/t10-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518906 (CHEMBL4444728) Show SMILES OB(O)[C@H](Cc1ccccc1)NC(=O)CS |r| Show InChI InChI=1S/C10H14BNO3S/c13-10(7-16)12-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9,14-16H,6-7H2,(H,12,13)/t9-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.87E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572494 (CHEMBL4849981) Show SMILES Cc1nc(-c2ccccc2C#N)n(O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.89E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572502 (CHEMBL4863572) Show SMILES Cc1nc(-c2cccc(Cl)c2F)n(C)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.24E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572493 (CHEMBL4860514) Show SMILES Cc1nc(-c2cccc(c2)C#N)n(O)c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50572501 (CHEMBL4861304) Show SMILES Cc1nc([nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(cc1)C(O)=O)-c1cccc(Cl)c1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.64E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to coagulation factor 11a (unknown origin) assessed as inhibition constant using (p-Glu-Pro-Arg-pNa,HCl) as substrate preincubated f...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113437 BindingDB Entry DOI: 10.7270/Q22N5622
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518899 (CHEMBL4460555) Show SMILES OB(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS)NCc1ccccc1 |r| Show InChI InChI=1S/C18H23BN2O3S/c22-18(16(13-25)20-12-15-9-5-2-6-10-15)21-17(19(23)24)11-14-7-3-1-4-8-14/h1-10,16-17,20,23-25H,11-13H2,(H,21,22)/t16-,17+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518891 (CHEMBL4460127) Show SMILES C[C@H](CS)C(=O)N[C@H](Cc1coc2ccccc12)B(O)O |r| Show InChI InChI=1S/C14H18BNO4S/c1-9(8-21)14(17)16-13(15(18)19)6-10-7-20-12-5-3-2-4-11(10)12/h2-5,7,9,13,18-19,21H,6,8H2,1H3,(H,16,17)/t9-,13-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	3.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518886 (CHEMBL4471673) Show SMILES OB(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS)N1C(=O)c2ccccc2C1=O |r| Show InChI InChI=1S/C19H19BN2O5S/c23-17(21-16(20(26)27)10-12-6-2-1-3-7-12)15(11-28)22-18(24)13-8-4-5-9-14(13)19(22)25/h1-9,15-16,26-28H,10-11H2,(H,21,23)/t15-,16+/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518881 (CHEMBL4455145) Show SMILES OB(O)[C@@H](Cc1coc2ccccc12)NC(=O)CCS |r| Show InChI InChI=1S/C13H16BNO4S/c16-13(5-6-20)15-12(14(17)18)7-9-8-19-11-4-2-1-3-10(9)11/h1-4,8,12,17-18,20H,5-7H2,(H,15,16)/t12-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518884 (CHEMBL4588584) Show SMILES CCC(=O)NCB(O)O Show InChI InChI=1S/C4H10BNO3/c1-2-4(7)6-3-5(8)9/h8-9H,2-3H2,1H3,(H,6,7)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair
Beta-lactamase TEM (Escherichia coli)	BDBM50518897 (CHEMBL4450628) Show SMILES C[C@H](CS)C(=O)NCB(O)O |r| Show InChI InChI=1S/C5H12BNO3S/c1-4(2-11)5(8)7-3-6(9)10/h4,9-11H,2-3H2,1H3,(H,7,8)/t4-/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of bacterial N-terminal His-tagged TEV protease site linked TEM-1 (24 to 286 amino acids) expressed in Escherichia coli Transetta (DE3) pr...				J Med Chem 62: 7160-7184 (2019) Article DOI: 10.1021/acs.jmedchem.9b00735 BindingDB Entry DOI: 10.7270/Q22R3W2M
					More data for this Ligand-Target Pair

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