Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'pemberton' and Initial = 'oa'   

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
OXA23 carbapenemase (Acinetobacter baumannii)	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of Acinetobacter baumannii OXA-23 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every 10 ...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli KPC-2 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition and measured e...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli VIM-1 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50339145 (CHEMBL1689063 | trans-7-oxo-6-(sulfooxy)-1,6-diaza...) Show SMILES NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r| Show InChI InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli KPC-2 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition and measured e...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50541449 (CHEMBL4636953) Show SMILES Nc1nnc(SCC(=O)N[C@H]2Cc3cccc(C(O)=O)c3OB2O)s1 |r| Show InChI InChI=1S/C13H13BN4O5S2/c15-12-17-18-13(25-12)24-5-9(19)16-8-4-6-2-1-3-7(11(20)21)10(6)23-14(8)22/h1-3,8,22H,4-5H2,(H2,15,17)(H,16,19)(H,20,21)/t8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli KPC-2 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition and measured e...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50089084 (CHEMBL3317857 | Vaborbactam) Show SMILES OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1 |r| Show InChI InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	PDB Article PubMed	56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli KPC-2 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition and measured e...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbapenem-hydrolyzing beta-lactamase KPC ()	BDBM50541450 (CHEMBL4640702) Show SMILES OB1Oc2c(C[C@@H]1Sc1nncs1)cccc2C(O)=O |r| Show InChI InChI=1S/C11H9BN2O4S2/c15-10(16)7-3-1-2-6-4-8(12(17)18-9(6)7)20-11-14-13-5-19-11/h1-3,5,8,17H,4H2,(H,15,16)/t8-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli KPC-2 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition and measured e...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Ubiquitin-associated domain-containing protein 1 (Human)	BDBM426626 (US10543221, Compound 994942 | US10543221, Formula ...) Show SMILES Cc1cc(Br)c2c(CP(O)(O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C11H10BrO5P/c1-6-2-8(12)11-7(5-18(14,15)16)4-10(13)17-9(11)3-6/h2-4H,5H2,1H3,(H2,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	488	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair
Ubiquitin-associated domain-containing protein 1 (Human)	BDBM426620 (US10543221, Compound 72588 | US10543221, Formula ) Show SMILES Cc1cc(C)c2c(CP(O)(O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C12H13O5P/c1-7-3-8(2)12-9(6-18(14,15)16)5-11(13)17-10(12)4-7/h3-5H,6H2,1-2H3,(H2,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair
OXA23 carbapenemase (Acinetobacter baumannii)	BDBM50339145 (CHEMBL1689063 | trans-7-oxo-6-(sulfooxy)-1,6-diaza...) Show SMILES NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r| Show InChI InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of Acinetobacter baumannii OXA-23 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every 10 ...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase ORTHRUS 5 (Mouse-ear cress)	BDBM426626 (US10543221, Compound 994942 | US10543221, Formula ...) Show SMILES Cc1cc(Br)c2c(CP(O)(O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C11H10BrO5P/c1-6-2-8(12)11-7(5-18(14,15)16)4-10(13)17-9(11)3-6/h2-4H,5H2,1H3,(H2,14,15,16)	MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair
Ubiquitin-associated domain-containing protein 1 (Human)	BDBM426631 (US10543221, Compound 1014507 | US10543221, Formula...) Show SMILES COc1cc(C)c2c(CP(O)(O)=O)cc(=O)[nH]c2c1 Show InChI InChI=1S/C12H14NO5P/c1-7-3-9(18-2)5-10-12(7)8(4-11(14)13-10)6-19(15,16)17/h3-5H,6H2,1-2H3,(H,13,14)(H2,15,16,17)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase ORTHRUS 5 (Mouse-ear cress)	BDBM426628 (US10543221, Compound 995015 | US10543221, Formula ...) Show SMILES OP(O)(=O)Cc1cc(=O)oc2cc(F)cc(F)c12 Show InChI InChI=1S/C10H7F2O5P/c11-6-2-7(12)10-5(4-18(14,15)16)1-9(13)17-8(10)3-6/h1-3H,4H2,(H2,14,15,16)	MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair
Ubiquitin-associated domain-containing protein 1 (Human)	BDBM426625 (US10543221, Compound 994284 | US10543221, Formula ...) Show SMILES COc1cc(C)c2c(CP(O)(O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C12H13O6P/c1-7-3-9(17-2)5-10-12(7)8(4-11(13)18-10)6-19(14,15)16/h3-5H,6H2,1-2H3,(H2,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair
Ubiquitin-associated domain-containing protein 1 (Human)	BDBM426628 (US10543221, Compound 995015 | US10543221, Formula ...) Show SMILES OP(O)(=O)Cc1cc(=O)oc2cc(F)cc(F)c12 Show InChI InChI=1S/C10H7F2O5P/c11-6-2-7(12)10-5(4-18(14,15)16)1-9(13)17-8(10)3-6/h1-3H,4H2,(H2,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	8.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase ORTHRUS 5 (Mouse-ear cress)	BDBM426627 (US10543221, Compound 994943 | US10543221, Formula ...) Show SMILES OP(O)(=O)Cc1cc(=O)[nH]c2ccccc12 Show InChI InChI=1S/C10H10NO4P/c12-10-5-7(6-16(13,14)15)8-3-1-2-4-9(8)11-10/h1-5H,6H2,(H,11,12)(H2,13,14,15)	MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	9.12E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair
Ubiquitin-associated domain-containing protein 1 (Human)	BDBM426524 (US10543221, Compound 72875 | US10543221, Formula 5) Show SMILES COc1ccc2c(CP(O)(O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C11H11O6P/c1-16-8-2-3-9-7(6-18(13,14)15)4-11(12)17-10(9)5-8/h2-5H,6H2,1H3,(H2,13,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair
Ubiquitin-associated domain-containing protein 1 (Human)	BDBM426622 (US10543221, Compound 73475 | US10543221, Formula 8) Show SMILES OP(O)(=O)Cc1cc(=O)oc2cc3OCOc3cc12 Show InChI InChI=1S/C11H9O7P/c12-11-1-6(4-19(13,14)15)7-2-9-10(17-5-16-9)3-8(7)18-11/h1-3H,4-5H2,(H2,13,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase ORTHRUS 5 (Mouse-ear cress)	BDBM426630 (US10543221, Compound 995018 | US10543221, Formula ...) Show SMILES Cn1c2ccccc2c(CP(O)(O)=O)cc1=O Show InChI InChI=1S/C11H12NO4P/c1-12-10-5-3-2-4-9(10)8(6-11(12)13)7-17(14,15)16/h2-6H,7H2,1H3,(H2,14,15,16)	MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	1.56E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase ORTHRUS 5 (Mouse-ear cress)	BDBM426629 (US10543221, Compound 995016 | US10543221, Formula ...) Show SMILES OP(O)(=O)Cc1cccc2cccnc12 Show InChI InChI=1S/C10H10NO3P/c12-15(13,14)7-9-4-1-3-8-5-2-6-11-10(8)9/h1-6H,7H2,(H2,12,13,14)	MMDB Reactome pathway UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	2.43E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair
Ubiquitin-associated domain-containing protein 1 (Human)	BDBM426621 (US10543221, Compound 73043 | US10543221, Formula 7) Show SMILES Cc1cc2oc(=O)cc(CP(O)(O)=O)c2cc1C Show InChI InChI=1S/C12H13O5P/c1-7-3-10-9(6-18(14,15)16)5-12(13)17-11(10)4-8(7)2/h3-5H,6H2,1-2H3,(H2,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	US Patent	2.66E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair
Ubiquitin-associated domain-containing protein 1 (Human)	BDBM426624 (US10543221, Compound 73152 | US10543221, Formula 1...) Show SMILES Cc1ccc2c(CP(O)(O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C11H11O5P/c1-7-2-3-9-8(6-17(13,14)15)5-11(12)16-10(9)4-7/h2-5H,6H2,1H3,(H2,13,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	3.95E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50089084 (CHEMBL3317857 | Vaborbactam) Show SMILES OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1 |r| Show InChI InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli VIM-1 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
OXA23 carbapenemase (Acinetobacter baumannii)	BDBM50089084 (CHEMBL3317857 | Vaborbactam) Show SMILES OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1 |r| Show InChI InChI=1S/C12H16BNO5S/c15-11(7-9-2-1-5-20-9)14-10-4-3-8(6-12(16)17)19-13(10)18/h1-2,5,8,10,18H,3-4,6-7H2,(H,14,15)(H,16,17)/t8-,10-/m0/s1	PDB Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of Acinetobacter baumannii OXA-23 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every 10 ...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
VIM-1 metallo-beta-lactamase (Klebsiella pneumoniae)	BDBM50339145 (CHEMBL1689063 | trans-7-oxo-6-(sulfooxy)-1,6-diaza...) Show SMILES NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O |r| Show InChI InChI=1S/C7H11N3O6S/c8-6(11)5-2-1-4-3-9(5)7(12)10(4)16-17(13,14)15/h4-5H,1-3H2,(H2,8,11)(H,13,14,15)/t4-,5+/m1/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli VIM-1 using nitrocefin as substrate preincubated for 10 mins followed by substrate addition measured every...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM426626 (US10543221, Compound 994942 | US10543221, Formula ...) Show SMILES Cc1cc(Br)c2c(CP(O)(O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C11H10BrO5P/c1-6-2-8(12)11-7(5-18(14,15)16)4-10(13)17-9(11)3-6/h2-4H,5H2,1H3,(H2,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ubiquitin-associated domain-containing protein 1 (Human)	BDBM426630 (US10543221, Compound 995018 | US10543221, Formula ...) Show SMILES Cn1c2ccccc2c(CP(O)(O)=O)cc1=O Show InChI InChI=1S/C11H12NO4P/c1-12-10-5-3-2-4-9(10)8(6-11(12)13)7-17(14,15)16/h2-6H,7H2,1H3,(H2,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	7.92E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair
Metallo-beta-lactamase type 2 (Klebsiella pneumoniae)	BDBM426620 (US10543221, Compound 72588 | US10543221, Formula ) Show SMILES Cc1cc(C)c2c(CP(O)(O)=O)cc(=O)oc2c1 Show InChI InChI=1S/C12H13O5P/c1-7-3-8(2)12-9(6-18(14,15)16)5-11(13)17-10(12)4-7/h3-5H,6H2,1-2H3,(H2,14,15,16)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB US Patent	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ubiquitin-associated domain-containing protein 1 (Human)	BDBM426627 (US10543221, Compound 994943 | US10543221, Formula ...) Show SMILES OP(O)(=O)Cc1cc(=O)[nH]c2ccccc12 Show InChI InChI=1S/C10H10NO4P/c12-10-5-7(6-16(13,14)15)8-3-1-2-4-9(8)11-10/h1-5H,6H2,(H,11,12)(H2,13,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	1.22E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair
Ubiquitin-associated domain-containing protein 1 (Human)	BDBM426623 (US10543221, Compound 72674 | US10543221, Formula 9) Show SMILES Cc1ccc2oc(=O)cc(CP(O)(O)=O)c2c1 Show InChI InChI=1S/C11H11O5P/c1-7-2-3-10-9(4-7)8(5-11(12)16-10)6-17(13,14)15/h2-5H,6H2,1H3,(H2,13,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	1.54E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair
Ubiquitin-associated domain-containing protein 1 (Human)	BDBM426629 (US10543221, Compound 995016 | US10543221, Formula ...) Show SMILES OP(O)(=O)Cc1cccc2cccnc12 Show InChI InChI=1S/C10H10NO3P/c12-15(13,14)7-9-4-1-3-8-5-2-6-11-10(8)9/h1-6H,7H2,(H2,12,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	4.47E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of South Florida; The Regents of the University of California US Patent					Assay Description Expression and Purification of Beta-Lactamases. For his tag KPC-2 beta-lactamase, bacteria were grown overnight at 30 C with shaking in 50 mL LB brot...				US Patent US10543221 (2020) BindingDB Entry DOI: 10.7270/Q2SF2ZJR
					More data for this Ligand-Target Pair
Catalase (Homo sapiens (Human))	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of mammalian cathepsin A (unknown origin) using MCA-RPPGFSAFK-Dnp as substrate preincubated for 10 mins followed by substrate addition mea...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of mammalian thrombin (unknown origin) using Benz-FVR-AMC as substrate preincubated for 10 mins followed by substrate addition measured af...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Neutrophil elastase (Homo sapiens (Human))	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.32E+5	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of mammalian neutrophil elastase (unknown origin) using MeOSuc-AAVP-AMC as substrate preincubated for 10 mins followed by substrate additi...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Endothelin-converting enzyme 1 (Homo sapiens (Human))	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	4.31E+5	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of mammalian ECE-1 (unknown origin) using MCA-RPPGFSAFK(DNP)-OH as substrate preincubated for 10 mins followed by substrate addition measu...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Cathepsin G (Homo sapiens (Human))	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	6.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of mammalian cathepsin G (unknown origin) using Suc-AAPF-AMC as substrate preincubated for 10 mins followed by substrate addition measured...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Chymotrypsinogen B2 (Homo sapiens)	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of mammalian chymotrypsin (unknown origin) using Suc-AAPF-AMC as substrate preincubated for 10 mins followed by substrate addition measure...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of mammalian MMP-9 (unknown origin) using McaPLGLDpaAR-NH2 as substrate preincubated for 10 mins followed by substrate addition measured a...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of mammalian MMP-1 (unknown origin) using McaPLGLDpaAR-NH2 as substrate preincubated for 10 mins followed by substrate addition measured a...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of mammalian ACE-2 (unknown origin) using Mca-APK(Dnp) as substrate preincubated for 10 mins followed by substrate addition measured after...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 9 (Homo sapiens (Human))	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of mammalian DPP9 (unknown origin) using Lys-Pro-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 3...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 8 (Homo sapiens (Human))	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of mammalian DPP8 (unknown origin) using Lys-Pro-AMC as substrate preincubated for 10 mins followed by substrate addition measured after 3...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Dipeptidyl peptidase 2 (Homo sapiens (Human))	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of mammalian DPP7 (unknown origin) using H-Lys-Pro-AMC as substrate preincubated for 10 mins followed by substrate addition measured after...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Chymase (Homo sapiens (Human))	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of mammalian chymase (unknown origin) using Suc-AAPF-AMC as substrate preincubated for 10 mins followed by substrate addition measured aft...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Trypsin (Homo sapiens (Human))	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of mammalian trypsin (unknown origin) using N-Bz-R-AMC as substrate preincubated for 10 mins followed by substrate addition measured after...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of mammalian plasmin (unknown origin) using H-D-VLK-pNA as substrate preincubated for 10 mins followed by substrate addition measured afte...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50541448 (CHEMBL4633785) Show SMILES [H][C@@]12C[C@]1([H])c1ccc(F)c(C(O)=O)c1OB2O |r| Show InChI InChI=1S/C10H8BFO4/c12-7-2-1-4-5-3-6(5)11(15)16-9(4)8(7)10(13)14/h1-2,5-6,15H,3H2,(H,13,14)/t5-,6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Qpex Biopharma, Inc. Curated by ChEMBL					Assay Description Inhibition of mammalian urokinase (unknown origin) using NGK-pNA as substrate preincubated for 10 mins followed by substrate addition measured after ...				J Med Chem 63: 7491-7507 (2020) Article DOI: 10.1021/acs.jmedchem.9b01976 BindingDB Entry DOI: 10.7270/Q2377D7Q
					More data for this Ligand-Target Pair