Compile Data Set for Download or QSAR

Found 914 hits with Last Name = 'ogawa' and Initial = 'ak'   

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))	BDBM419907 ((S)-2-(1-(3-AMMONIO-1H-INDAZOLE-6-CARBOXAMIDO)-2-P...) Show SMILES Nc1n[nH]c2cc(ccc12)C(=O)N[C@@H](Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US10472344 (2019) BindingDB Entry DOI: 10.7270/Q2Q52S04
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM419910 (US10472344, Example 4) Show SMILES NC(=O)c1ccc(s1)C(=O)N[C@@H](Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C26H20ClN7O3S/c27-18-7-9-21(33-15-29-31-32-33)19(13-18)17-6-8-22(34(37)14-17)20(12-16-4-2-1-3-5-16)30-26(36)24-11-10-23(38-24)25(28)35/h1-11,13-15,20H,12H2,(H2,28,35)(H,30,36)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US10472344 (2019) BindingDB Entry DOI: 10.7270/Q2Q52S04
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM330035 (Methyl [(7S)-7-[6-(aminomethyl)-1-oxo-3,4-dihydroi...) Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)N1CCc2cc(C[NH3+])ccc2C1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US9663527 (2017) BindingDB Entry DOI: 10.7270/Q2862JJQ
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM285852 (5-(2-{3-[5-chloro-2- (1H-tetrazol-1- yl)phenyl]-1-...) Show SMILES OC(=O)c1ccc(s1)-c1cnc([nH]1)C1CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.08	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US10081617 (2018) BindingDB Entry DOI: 10.7270/Q2CR5WDN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM419908 (US10472344, Example 2) Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C29H24ClN7O4/c1-41-29(39)32-23-11-7-20(8-12-23)28(38)33-25(15-19-5-3-2-4-6-19)27-13-9-21(17-37(27)40)24-16-22(30)10-14-26(24)36-18-31-34-35-36/h2-14,16-18,25H,15H2,1H3,(H,32,39)(H,33,38)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US10472344 (2019) BindingDB Entry DOI: 10.7270/Q2Q52S04
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM330036 (US9663527, Example 2) Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)N1CCCc2cc(C[NH3+])ccc2C1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US9663527 (2017) BindingDB Entry DOI: 10.7270/Q2862JJQ
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM419912 (US10472344, Example 6) Show SMILES OC(=O)c1ccc(s1)C(=O)N[C@@H](Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C26H19ClN6O4S/c27-18-7-9-21(32-15-28-30-31-32)19(13-18)17-6-8-22(33(37)14-17)20(12-16-4-2-1-3-5-16)29-25(34)23-10-11-24(38-23)26(35)36/h1-11,13-15,20H,12H2,(H,29,34)(H,35,36)/t20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US10472344 (2019) BindingDB Entry DOI: 10.7270/Q2Q52S04
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM419913 (US10472344, Example 7) Show SMILES COCC(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C30H26ClN7O4/c1-42-18-29(39)33-24-11-7-21(8-12-24)30(40)34-26(15-20-5-3-2-4-6-20)28-13-9-22(17-38(28)41)25-16-23(31)10-14-27(25)37-19-32-35-36-37/h2-14,16-17,19,26H,15,18H2,1H3,(H,33,39)(H,34,40)/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US10472344 (2019) BindingDB Entry DOI: 10.7270/Q2Q52S04
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM419907 ((S)-2-(1-(3-AMMONIO-1H-INDAZOLE-6-CARBOXAMIDO)-2-P...) Show SMILES Nc1n[nH]c2cc(ccc12)C(=O)N[C@@H](Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fishe...				US Patent US10472344 (2019) BindingDB Entry DOI: 10.7270/Q2Q52S04
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM419910 (US10472344, Example 4) Show SMILES NC(=O)c1ccc(s1)C(=O)N[C@@H](Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C26H20ClN7O3S/c27-18-7-9-21(33-15-29-31-32-33)19(13-18)17-6-8-22(34(37)14-17)20(12-16-4-2-1-3-5-16)30-26(36)24-11-10-23(38-24)25(28)35/h1-11,13-15,20H,12H2,(H2,28,35)(H,30,36)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fishe...				US Patent US10472344 (2019) BindingDB Entry DOI: 10.7270/Q2Q52S04
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM330037 (US9663527, Example 3) Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)N1Cc2cc(C[NH3+])ccc2C1=O |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US9663527 (2017) BindingDB Entry DOI: 10.7270/Q2862JJQ
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM419911 (US10472344, Example 5) Show SMILES OC(=O)c1ccc(cc1)C(=O)NC(Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C28H21ClN6O4/c29-22-11-13-25(34-17-30-32-33-34)23(15-22)21-10-12-26(35(39)16-21)24(14-18-4-2-1-3-5-18)31-27(36)19-6-8-20(9-7-19)28(37)38/h1-13,15-17,24H,14H2,(H,31,36)(H,37,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US10472344 (2019) BindingDB Entry DOI: 10.7270/Q2Q52S04
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM419908 (US10472344, Example 2) Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C29H24ClN7O4/c1-41-29(39)32-23-11-7-20(8-12-23)28(38)33-25(15-19-5-3-2-4-6-19)27-13-9-21(17-37(27)40)24-16-22(30)10-14-26(24)36-18-31-34-35-36/h2-14,16-18,25H,15H2,1H3,(H,32,39)(H,33,38)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fishe...				US Patent US10472344 (2019) BindingDB Entry DOI: 10.7270/Q2Q52S04
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM419909 (US10472344, Example 3) Show SMILES COC(=O)Nc1cccc(c1)C(=O)NC(Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C29H24ClN7O4/c1-41-29(39)32-23-9-5-8-20(15-23)28(38)33-25(14-19-6-3-2-4-7-19)27-12-10-21(17-37(27)40)24-16-22(30)11-13-26(24)36-18-31-34-35-36/h2-13,15-18,25H,14H2,1H3,(H,32,39)(H,33,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	UniChem	US Patent	144	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US10472344 (2019) BindingDB Entry DOI: 10.7270/Q2Q52S04
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM330038 (US9663527, Example 4) Show SMILES NCc1ccc2C(=O)N(CCc2c1)[C@H]1CCCCC(=O)Nc2ccc(F)cc2-c2ccnc1c2 |r| Show InChI InChI=1S/C27H27FN4O2/c28-20-6-8-23-22(15-20)18-9-11-30-24(14-18)25(3-1-2-4-26(33)31-23)32-12-10-19-13-17(16-29)5-7-21(19)27(32)34/h5-9,11,13-15,25H,1-4,10,12,16,29H2,(H,31,33)/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MERCK SHARP & DOHME CORP. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US9663527 (2017) BindingDB Entry DOI: 10.7270/Q2862JJQ
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM419912 (US10472344, Example 6) Show SMILES OC(=O)c1ccc(s1)C(=O)N[C@@H](Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C26H19ClN6O4S/c27-18-7-9-21(32-15-28-30-31-32)19(13-18)17-6-8-22(33(37)14-17)20(12-16-4-2-1-3-5-16)29-25(34)23-10-11-24(38-23)26(35)36/h1-11,13-15,20H,12H2,(H,29,34)(H,35,36)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	219	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fishe...				US Patent US10472344 (2019) BindingDB Entry DOI: 10.7270/Q2Q52S04
					More data for this Ligand-Target Pair
Kallikrein-1 (Homo sapiens (Human))	BDBM419913 (US10472344, Example 7) Show SMILES COCC(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C30H26ClN7O4/c1-42-18-29(39)33-24-11-7-21(8-12-24)30(40)34-26(15-20-5-3-2-4-6-20)28-13-9-22(17-38(28)41)25-16-23(31)10-14-27(25)37-19-32-35-36-37/h2-14,16-17,19,26H,15,18H2,1H3,(H,33,39)(H,34,40)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	UniChem	US Patent	516	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Kallikrein determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; Fishe...				US Patent US10472344 (2019) BindingDB Entry DOI: 10.7270/Q2Q52S04
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B alpha isoform (Homo sapiens (Human))	BDBM50061067 (15-(3-Guanidino-propyl)-8-isobutyl-18-((1E,3E)-6-m...) Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O Show InChI InChI=1S/C49H74N10O12/c1-26(2)23-37-46(66)58-40(48(69)70)30(6)42(62)55-35(17-14-22-52-49(50)51)45(65)54-34(19-18-27(3)24-28(4)38(71-10)25-33-15-12-11-13-16-33)29(5)41(61)56-36(47(67)68)20-21-39(60)59(9)32(8)44(64)53-31(7)43(63)57-37/h11-13,15-16,18-19,24,26,28-31,34-38,40H,8,14,17,20-23,25H2,1-7,9-10H3,(H,53,64)(H,54,65)(H,55,62)(H,56,61)(H,57,63)(H,58,66)(H,67,68)(H,69,70)(H4,50,51,52)/b19-18+,27-24+/t28-,29-,30-,31+,34-,35-,36+,37-,38-,40+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0650	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Observed inhibition activity of the compounds against protein phosphatases 2A (PP2A)				J Med Chem 40: 3199-206 (1997) Article DOI: 10.1021/jm960873x BindingDB Entry DOI: 10.7270/Q25Q4WS0
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM345099 (4-[(2-{5-[5-chloro-2-(1H- tetrazol-1-yl)phenyl]-1-...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-n2cnnn2)cc1F Show InChI InChI=1S/C25H20ClFN6O4/c26-16-4-8-22(32-13-28-30-31-32)19(10-16)15-3-7-23(33(37)12-15)20(9-14-1-2-14)24(34)29-17-5-6-18(25(35)36)21(27)11-17/h3-8,10-14,20H,1-2,9H2,(H,29,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US9783530 (2017) BindingDB Entry DOI: 10.7270/Q2N87CXK
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50582290 (CHEMBL5082614 | US20230286958, Example 198) Show SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(nc1C)C(C)n1cc(NC(=O)c2nc(cnc2CO)-c2c(F)c(Cl)ccc2C(F)F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM345082 (4-{[(2R)-2-{5-[5-chloro-2- (1H-tetrazol-1-yl)pheny...) Show SMILES OC(=O)c1ccc(NC(=O)[C@H](CC2CC2)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C25H21ClN6O4/c26-18-6-10-22(31-14-27-29-30-31)20(12-18)17-5-9-23(32(36)13-17)21(11-15-1-2-15)24(33)28-19-7-3-16(4-8-19)25(34)35/h3-10,12-15,21H,1-2,11H2,(H,28,33)(H,34,35)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.140	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US9783530 (2017) BindingDB Entry DOI: 10.7270/Q2N87CXK
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM345057 (4-{[(2R)-2-{5-[5-chloro- 2-(1H-tetrazol-1- yl)phen...) Show SMILES OC(=O)c1ccc(NC(=O)[C@H](Cc2ccccc2)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C28H21ClN6O4/c29-21-9-13-25(34-17-30-32-33-34)23(15-21)20-8-12-26(35(39)16-20)24(14-18-4-2-1-3-5-18)27(36)31-22-10-6-19(7-11-22)28(37)38/h1-13,15-17,24H,14H2,(H,31,36)(H,37,38)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.160	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US9783530 (2017) BindingDB Entry DOI: 10.7270/Q2N87CXK
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM285900 (7-(5-(5-carboxythiophen-3-yl)-4-chloro-1H-imidazol...) Show SMILES COC(=O)c1cc(cs1)-c1[nH]c(nc1Cl)C1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1NC(=O)OC(C)(C)C Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.170	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US10081617 (2018) BindingDB Entry DOI: 10.7270/Q2CR5WDN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM345105 (4-[(2-{5-[3-chloro-2- fluoro-6-(1H-tetrazol-1- yl)...) Show SMILES OC(=O)c1ccc(NC(=O)C(CC2CC2)c2ccc(c[n+]2[O-])-c2c(F)c(Cl)ccc2-n2cnnn2)cc1 Show InChI InChI=1S/C25H20ClFN6O4/c26-19-8-10-21(32-13-28-30-31-32)22(23(19)27)16-5-9-20(33(37)12-16)18(11-14-1-2-14)24(34)29-17-6-3-15(4-7-17)25(35)36/h3-10,12-14,18H,1-2,11H2,(H,29,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US9783530 (2017) BindingDB Entry DOI: 10.7270/Q2N87CXK
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50582287 (CHEMBL5079850 | US20230286958, Example 41) Show SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(Cn2cc(NC(=O)c3nc(cnc3C)-c3c(F)c(Cl)ccc3C(F)F)cn2)cc1C |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B (Gallus gallus)	BDBM50061066 ((5R,6S,9S,12S,13S,16R)-2-Eth-(Z)-ylidene-9-(3-guan...) Show SMILES CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](C)[C@@H](NC(=O)\C(=C\C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(O)=O)C(O)=O Show InChI InChI=1S/C41H60N8O10/c1-8-31-38(54)48-34(40(57)58)26(5)36(52)46-29(15-12-20-44-41(42)43)37(53)45-28(25(4)35(51)47-30(39(55)56)18-19-33(50)49(31)6)17-16-23(2)21-24(3)32(59-7)22-27-13-10-9-11-14-27/h8-11,13-14,16-17,21,24-26,28-30,32,34H,12,15,18-20,22H2,1-7H3,(H,45,53)(H,46,52)(H,47,51)(H,48,54)(H,55,56)(H,57,58)(H4,42,43,44)/b17-16+,23-21+,31-8-/t24-,25-,26-,28-,29-,30+,32-,34+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Observed inhibition activity against protein phosphatase 2A (PP2A)				J Med Chem 40: 3199-206 (1997) Article DOI: 10.1021/jm960873x BindingDB Entry DOI: 10.7270/Q25Q4WS0
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50582290 (CHEMBL5082614 | US20230286958, Example 198) Show SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(nc1C)C(C)n1cc(NC(=O)c2nc(cnc2CO)-c2c(F)c(Cl)ccc2C(F)F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50582291 (CHEMBL5078294 | US20230286958, Example 200) Show SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(cc1C)C(C)n1cc(NC(=O)c2nc(cnc2CO)-c2c(F)c(Cl)ccc2C(F)F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50582291 (CHEMBL5078294 | US20230286958, Example 200) Show SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(cc1C)C(C)n1cc(NC(=O)c2nc(cnc2CO)-c2c(F)c(Cl)ccc2C(F)F)cn1 |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50582288 (CHEMBL5089406 | US20230286958, Example 136) Show SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(C(C)n2cc(NC(=O)c3nc(cnc3C)-c3c(F)c(Cl)ccc3C#N)cn2)c(C)c1F |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM285973 ((7S)-7-[5-(4-aminophenyl)-4- chloro-1H-imidazol-2-...) Show SMILES Nc1ccc(cc1)-c1[nH]c(nc1Cl)[C@]1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.207	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US10081617 (2018) BindingDB Entry DOI: 10.7270/Q2CR5WDN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM345061 (2-{5-[5-chloro-2-(1H- tetrazol-1-yl)phenyl]-1- oxi...) Show SMILES Clc1ccc(c(c1)-c1ccc([nH+]c1)C(Cc1ccccc1)C(=O)Nc1ccc2cn[nH]c2c1)-n1cnnn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.240	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US9783530 (2017) BindingDB Entry DOI: 10.7270/Q2N87CXK
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM345063 (4-{[(2R)-2-{5-[5-chloro- 2-(1H-tetrazol-1- yl)phen...) Show SMILES OC(=O)c1ccc(NC(=O)[C@H](Cc2ccc(F)cc2)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C28H20ClFN6O4/c29-20-6-12-25(35-16-31-33-34-35)23(14-20)19-5-11-26(36(40)15-19)24(13-17-1-7-21(30)8-2-17)27(37)32-22-9-3-18(4-10-22)28(38)39/h1-12,14-16,24H,13H2,(H,32,37)(H,38,39)/t24-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US9783530 (2017) BindingDB Entry DOI: 10.7270/Q2N87CXK
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM285883 ((S)-methyl [4-(2-{3-[5- chloro-2-(1H-tetrazol-1- y...) Show SMILES COC(=O)Nc1ccc(-c2cnc([nH]2)[C@]2(O)CCc3cc(c[n+]([O-])c23)-c2cc(Cl)ccc2-n2cnnn2)c(F)c1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.280	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US10081617 (2018) BindingDB Entry DOI: 10.7270/Q2CR5WDN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM345078 (2-(1-((4-Carboxyphenyl)amino)-1-oxo-3-phenylpropan...) Show SMILES COc1cc(C(Cc2ccccc2)C(=O)Nc2ccc(cc2)C(O)=O)[n+]([O-])cc1-c1cc(Cl)ccc1C#N Show InChI InChI=1S/C29H22ClN3O5/c1-38-27-15-26(33(37)17-25(27)23-14-21(30)10-7-20(23)16-31)24(13-18-5-3-2-4-6-18)28(34)32-22-11-8-19(9-12-22)29(35)36/h2-12,14-15,17,24H,13H2,1H3,(H,32,34)(H,35,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US9783530 (2017) BindingDB Entry DOI: 10.7270/Q2N87CXK
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM617832 (US20230286958, Example 44) Show SMILES C[C@H](c1cnc(N2C[C@H]3C[C@H]3C2=O)c(F)c1C)n1cc(NC(=O)c2cncc(n2)-c2c(F)c(Cl)ccc2C(F)F)cn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM617989 (6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-N-(...) Show SMILES CC(c1cnc(N2C[C@H]3C[C@H]3C2=O)c(C)c1C)n1cc(NC(=O)c2nc(cnc2CO)-c2c(F)c(Cl)ccc2C(F)F)cn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM617991 (6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-3-(...) Show SMILES CC(c1cnc(cc1C)N1C[C@H]2C[C@H]2C1=O)n1cc(NC(=O)c2nc(cnc2CO)-c2c(F)c(Cl)ccc2C(F)F)cn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50582289 (CHEMBL5076760 | US20230286958, Example 155) Show SMILES [H][C@]12C[C@@]1([H])C(=O)N(C2)c1ncc(C(C)n2cc(NC(=O)c3cncc(n3)-c3c(F)c(Cl)ccc3C(F)F)cn2)c(C)c1OC |r| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM617993 (6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-N-(...) Show SMILES CC(c1cnc(N2C[C@H]3C[C@H]3C2=O)c(F)c1)n1cc(NC(=O)c2nc(cnc2CO)-c2c(F)c(Cl)ccc2C(F)F)cn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM618006 (6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-N(1...) Show SMILES COc1cc(cnc1N1C[C@H]2C[C@H]2C1=O)C(C)n1cc(NC(=O)c2nc(cnc2C)-c2c(F)c(Cl)ccc2C(F)F)cn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM617940 (6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-N-(...) Show SMILES CC(c1cnc(N2C[C@H]3C[C@H]3C2=O)c(C)c1C)n1cc(NC(=O)c2cncc(n2)-c2c(F)c(Cl)ccc2C(F)F)cn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM617993 (6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-N-(...) Show SMILES CC(c1cnc(N2C[C@H]3C[C@H]3C2=O)c(F)c1)n1cc(NC(=O)c2nc(cnc2CO)-c2c(F)c(Cl)ccc2C(F)F)cn1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM285860 (US10081617, Example 9) Show SMILES COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@@]1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.320	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US10081617 (2018) BindingDB Entry DOI: 10.7270/Q2CR5WDN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM285898 (7-(5-(5-carboxythiophen-2-yl)-4-chloro-1H-imidazol...) Show SMILES CC(C)(C)OC(=O)Nc1ccc(Cl)cc1C1=CC2=C([N]([O-])=C1)C(O)(CC2)c1nc(Cl)c([nH]1)-c1ccc(s1)C(=O)OC(C)(C)C |c:18,21,t:16| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.330	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US10081617 (2018) BindingDB Entry DOI: 10.7270/Q2CR5WDN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM285959 (US10081617, Example 106 | US10081617, Example 107 ...) Show SMILES COC(=O)Nc1ccc(-c2cnc([nH]2)C2(O)CCc3cc(c[n+]([O-])c23)-c2c(F)c(Cl)ccc2-n2cnnn2)c(Cl)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.340	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US10081617 (2018) BindingDB Entry DOI: 10.7270/Q2CR5WDN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM285953 (4-(2-{3-[5-chloro-2-(1H- tetrazol-1-yl)phenyl]-7- ...) Show SMILES OC(=O)c1scc(c1F)-c1[nH]c(nc1F)C1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.340	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US10081617 (2018) BindingDB Entry DOI: 10.7270/Q2CR5WDN
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM618017 (6-(3-Chloro-6-(difluoromethyl)-2-fluorophenyl)-3-(...) Show SMILES CC(O)c1ncc(nc1C(=O)Nc1cnn(c1)C(C)c1cc(C)c(nn1)N1C[C@H]2C[C@H]2C1=O)-c1c(F)c(Cl)ccc1C(F)F Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2DB8609
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM285853 (Methyl [4-(2-{3-[5-chloro-2-(1H-tetrazol-1-yl)phen...) Show SMILES C[Si](C)(C)CCOCCl.OC(=O)C1CCc2cc(Br)cnc12.COC(=O)Nc1ccc(cc1)C(=O)CCl.CC1(C)OB(OC1(C)C)c1cc(Cl)ccc1N.COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)C1CCc2cc(Br)cnc12.COC(=O)Nc1ccc(cc1)C(=O)COC(=O)C1CCc2cc(Br)cnc12.COC(=O)Nc1ccc(cc1)-c1cnc(C2CCc3cc(Br)cnc23)n1COCC[Si](C)(C)C.COC(=O)Nc1ccc(cc1)-c1cnc([nH]1)C1CCc2cc(cnc12)-c1cc(Cl)ccc1-n1cnnn1.COC(=O)Nc1ccc(cc1)-c1cnc(C2CCc3cc(cnc23)-c2cc(Cl)ccc2N)n1COCC[Si](C)(C)C.COC(=O)Nc1ccc(cc1)-c1cnc(C2CCc3cc(cnc23)-c2cc(Cl)ccc2-n2cnnn2)n1COCC[Si](C)(C)C.COC(=O)Nc1ccc(cc1)-c1cnc(C2CCc3cc(c[n+]([O-])c23)-c2cc(Cl)ccc2-n2cnnn2)n1COCC[Si](C)(C)C |$;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C32H35ClN8O4Si/c1-44-32(42)36-25-9-5-21(6-10-25)29-17-34-31(39(29)20-45-13-14-46(2,3)4)26-11-7-22-15-23(18-41(43)30(22)26)27-16-24(33)8-12-28(27)40-19-35-37-38-40/h5-6,8-10,12,15-19,26H,7,11,13-14,20H2,1-4H3,(H,36,42)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US10081617 (2018) BindingDB Entry DOI: 10.7270/Q2CR5WDN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM285890 (2-methoxyethyl [4-(2-{3- [5-chloro-2-(1H-tetrazol-...) Show SMILES COCCOC(=O)Nc1ccc(cc1)-c1cnc([nH]1)C1(O)CCc2cc(c[n+]([O-])c12)-c1cc(Cl)ccc1-n1cnnn1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	7.4	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...				US Patent US10081617 (2018) BindingDB Entry DOI: 10.7270/Q2CR5WDN
					More data for this Ligand-Target Pair

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