Compile Data Set for Download or QSAR

Found 3439 hits with Last Name = 'duffy' and Initial = 'l'   

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
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50513934 (CHEMBL4443587) Show SMILES [H][C@]12O[C@H](C(F)F)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NC)S2 |r,t:14| Show InChI InChI=1S/C8H12F2N2O3S/c1-11-8-12-2-3(13)4(14)5(6(9)10)15-7(2)16-8/h2-7,13-14H,1H3,(H,11,12)/t2-,3-,4+,5+,7-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50323697 ((3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL...) Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 |r,t:3| Show InChI InChI=1S/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50513931 (CHEMBL4444446) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@@H](F)[C@@]1([H])N=C(NC)S2 |r,t:13| Show InChI InChI=1S/C8H13FN2O3S/c1-10-8-11-5-4(9)6(13)3(2-12)14-7(5)15-8/h3-7,12-13H,2H2,1H3,(H,10,11)/t3-,4+,5-,6-,7-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM205423 (US9243020, 17 | US9815861, Example 17) Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CF)[C@@H](O)[C@@H]2O)S1 |r,t:2| Show InChI InChI=1S/C8H13FN2O3S/c1-10-8-11-4-6(13)5(12)3(2-9)14-7(4)15-8/h3-7,12-13H,2H2,1H3,(H,10,11)/t3-,4-,5-,6-,7-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM289804 (Methyl (4-(((S)-1-((R)-6-chloro-5-fluoro-2-oxo-1,2...) Show SMILES COC(=O)Nc1ccc(cc1)C(=O)NC(CC1(CC1)OC)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r| Show InChI InChI=1S/C28H30ClFN4O7/c1-39-25(37)31-17-6-4-16(5-7-17)23(35)32-20(14-27(40-2)11-12-27)24(36)34-13-3-10-28(15-34)21-19(33-26(38)41-28)9-8-18(29)22(21)30/h4-9,20H,3,10-15H2,1-2H3,(H,31,37)(H,32,35)(H,33,38)/t20?,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.600	-52.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM289851 (2-(5-(((S)-1-((R)-6-chloro-5-fluoro-2-oxo-1,2-dihy...) Show SMILES OC(=O)C(=O)c1sc(cc1F)C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r| Show InChI InChI=1S/C28H21ClF3N3O7S/c29-15-6-7-17-20(21(15)32)28(42-27(41)34-17)8-1-9-35(12-28)25(38)18(10-13-2-4-14(30)5-3-13)33-24(37)19-11-16(31)23(43-19)22(36)26(39)40/h2-7,11,18H,1,8-10,12H2,(H,33,37)(H,34,41)(H,39,40)/t18-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	-52.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM289807 (US10093683, Example 118A | US10093683, Example 118...) Show SMILES CO[C@@H](C)C[C@H](NC(=O)c1ccc(NC(=O)OC)cc1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r| Show InChI InChI=1S/C27H30ClFN4O7/c1-15(38-2)13-20(31-23(34)16-5-7-17(8-6-16)30-25(36)39-3)24(35)33-12-4-11-27(14-33)21-19(32-26(37)40-27)10-9-18(28)22(21)29/h5-10,15,20H,4,11-14H2,1-3H3,(H,30,36)(H,31,34)(H,32,37)/t15-,20-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.720	-52.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50323697 ((3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL...) Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 |r,t:3| Show InChI InChI=1S/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA expressed in Escherichia coli assessed as inhibitory constant using 4-MUGlcNAc as substrate incubated for 20 mins...				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM289844 (3-amino-N—((S)-1-(R)-6-chloro-2-oxo-1,2-dihyd...) Show SMILES Nc1noc2cc(ccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ccc(Cl)cc21 |r| Show InChI InChI=1S/C28H24ClN5O5/c29-18-7-9-21-20(14-18)28(38-27(37)32-21)10-11-34(15-28)26(36)22(12-16-4-2-1-3-5-16)31-25(35)17-6-8-19-23(13-17)39-33-24(19)30/h1-9,13-14,22H,10-12,15H2,(H2,30,33)(H,31,35)(H,32,37)/t22-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.30	-49.3	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM205425 (US9243020, 20 | US9815861, Example 20) Show SMILES CN(C)C1=N[C@H]2[C@H](O[C@H](C(F)F)[C@@H](O)[C@@H]2O)S1 |r,t:3| Show InChI InChI=1S/C9H14F2N2O3S/c1-13(2)9-12-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,1-2H3/t3-,4-,5+,6+,8-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM289807 (US10093683, Example 118A | US10093683, Example 118...) Show SMILES CO[C@@H](C)C[C@H](NC(=O)c1ccc(NC(=O)OC)cc1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r| Show InChI InChI=1S/C27H30ClFN4O7/c1-15(38-2)13-20(31-23(34)16-5-7-17(8-6-16)30-25(36)39-3)24(35)33-12-4-11-27(14-33)21-19(32-26(37)40-27)10-9-18(28)22(21)29/h5-10,15,20H,4,11-14H2,1-3H3,(H,30,36)(H,31,34)(H,32,37)/t15-,20-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.52	-49.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM141965 (US8927507, 16) Show SMILES CN(CC=C)C1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 |r,t:5| Show InChI InChI=1S/C11H18N2O4S/c1-3-4-13(2)11-12-7-9(16)8(15)6(5-14)17-10(7)18-11/h3,6-10,14-16H,1,4-5H2,2H3/t6-,7-,8-,9-,10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM289795 (Methyl 2-amino-3-(5-fluoropyridin-2-yl)propanoate ...) Show SMILES COC(=O)Nc1ccc(cc1)C(=O)NC(Cc1ccc(F)cn1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r| Show InChI InChI=1S/C29H26ClF2N5O6/c1-42-27(40)34-18-6-3-16(4-7-18)25(38)35-22(13-19-8-5-17(31)14-33-19)26(39)37-12-2-11-29(15-37)23-21(36-28(41)43-29)10-9-20(30)24(23)32/h3-10,14,22H,2,11-13,15H2,1H3,(H,34,40)(H,35,38)(H,36,41)/t22?,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.82	-48.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM205422 (US9243020, 9 | US9815861, Example 9) Show SMILES CNC1=N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2F)S1 |r,t:2| Show InChI InChI=1S/C8H13FN2O3S/c1-10-8-11-5-4(9)6(13)3(2-12)14-7(5)15-8/h3-7,12-13H,2H2,1H3,(H,10,11)/t3-,4-,5-,6-,7-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM289853 (2-(1H-tetrazol-5-yl)ethyl (4-(((S)-1-((R)-6-chloro...) Show SMILES Fc1ccc(C[C@H](NC(=O)c2ccc(NC(=O)OCCc3nnn[nH]3)cc2)C(=O)N2CCC[C@@]3(C2)OC(=O)Nc2ccc(Cl)c(F)c32)cc1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.22	-48.5	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50513947 (CHEMBL4545886) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N1CCC1 |r,c:13| Show InChI InChI=1S/C10H16N2O4S/c13-4-5-7(14)8(15)6-9(16-5)17-10(11-6)12-2-1-3-12/h5-9,13-15H,1-4H2/t5-,6-,7-,8-,9-/m1/s1	PDB KEGG UniProtKB/SwissProt 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
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM289805 (US10093683, Example 116A | US10093683, Example 116...) Show SMILES COC(=O)Nc1ccc(cc1)C(=O)NC(C[C@@H]1CCCO1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r| Show InChI InChI=1S/C28H30ClFN4O7/c1-39-26(37)31-17-7-5-16(6-8-17)24(35)32-21(14-18-4-2-13-40-18)25(36)34-12-3-11-28(15-34)22-20(33-27(38)41-28)10-9-19(29)23(22)30/h5-10,18,21H,2-4,11-15H2,1H3,(H,31,37)(H,32,35)(H,33,38)/t18-,21?,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.21	-47.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50513960 (CHEMBL4561925) Show SMILES [H][C@]12O[C@H](C(F)F)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCCC)S2 |r,t:14| Show InChI InChI=1S/C10H16F2N2O3S/c1-2-3-13-10-14-4-5(15)6(16)7(8(11)12)17-9(4)18-10/h4-9,15-16H,2-3H2,1H3,(H,13,14)/t4-,5-,6+,7+,9-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50513955 (CHEMBL4483089) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N(C)CC |r,c:13| Show InChI InChI=1S/C10H18N2O4S/c1-3-12(2)10-11-6-8(15)7(14)5(4-13)16-9(6)17-10/h5-9,13-15H,3-4H2,1-2H3/t5-,6-,7-,8-,9-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50513957 (CHEMBL4456515) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCCF)S2 |r,t:13| Show InChI InChI=1S/C9H15FN2O4S/c10-1-2-11-9-12-5-7(15)6(14)4(3-13)16-8(5)17-9/h4-8,13-15H,1-3H2,(H,11,12)/t4-,5-,6-,7-,8-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM289805 (US10093683, Example 116A | US10093683, Example 116...) Show SMILES COC(=O)Nc1ccc(cc1)C(=O)NC(C[C@@H]1CCCO1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r| Show InChI InChI=1S/C28H30ClFN4O7/c1-39-26(37)31-17-7-5-16(6-8-17)24(35)32-21(14-18-4-2-13-40-18)25(36)34-12-3-11-28(15-34)22-20(33-27(38)41-28)10-9-19(29)23(22)30/h5-10,18,21H,2-4,11-15H2,1H3,(H,31,37)(H,32,35)(H,33,38)/t18-,21?,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.51	-46.4	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM205424 (US9243020, 19 | US9815861, Example 19) Show SMILES CCNC1=N[C@H]2[C@H](O[C@H](C(F)F)[C@@H](O)[C@@H]2O)S1 |r,t:3| Show InChI InChI=1S/C9H14F2N2O3S/c1-2-12-9-13-3-4(14)5(15)6(7(10)11)16-8(3)17-9/h3-8,14-15H,2H2,1H3,(H,12,13)/t3-,4-,5+,6+,8-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50513958 (CHEMBL4473252) Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N(C)C |r,c:13| Show InChI InChI=1S/C9H15FN2O3S/c1-12(2)9-11-5-7(14)6(13)4(3-10)15-8(5)16-9/h4-8,13-14H,3H2,1-2H3/t4-,5-,6-,7-,8-/m1/s1	PDB KEGG UniProtKB/SwissProt 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
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM289849 (Methyl 3-amino-6-(((S)-1-((R)-6-chloro-2-oxo-1,2-d...) Show SMILES COC(=O)Nc1n[nH]c2cc(ccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ccc(Cl)cc21 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9	-45.9	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50513939 (CHEMBL4516713) Show SMILES [H][C@@]12C[C@H](O)[C@@H](CO)O[C@]1([H])SC(NC)=N2 |r,c:15| Show InChI InChI=1S/C8H14N2O3S/c1-9-8-10-4-2-5(12)6(3-11)13-7(4)14-8/h4-7,11-12H,2-3H2,1H3,(H,9,10)/t4-,5+,6-,7-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM289787 (US10093683, Example 14b) Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ccc(C)cc21 |r| Show InChI InChI=1S/C30H30N4O6/c1-19-8-13-24-23(16-19)30(40-29(38)33-24)14-15-34(18-30)27(36)25(17-20-6-4-3-5-7-20)32-26(35)21-9-11-22(12-10-21)31-28(37)39-2/h3-13,16,25H,14-15,17-18H2,1-2H3,(H,31,37)(H,32,35)(H,33,38)/t25-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	9.5	-45.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM289811 (Methyl (4-(((S)-1-((R)-6-chloro-5-fluoro-2-oxo-1,2...) Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](CC(C)(C)OC)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)c(F)c21 |r| Show InChI InChI=1S/C28H32ClFN4O7/c1-27(2,40-4)14-20(32-23(35)16-6-8-17(9-7-16)31-25(37)39-3)24(36)34-13-5-12-28(15-34)21-19(33-26(38)41-28)11-10-18(29)22(21)30/h6-11,20H,5,12-15H2,1-4H3,(H,31,37)(H,32,35)(H,33,38)/t20-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	10.2	-45.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM205421 (US9243020, 4 | US9815861, Example 4) Show SMILES CN(C)C1=N[C@@H]2C[C@H](O)[C@@H](CO)O[C@@H]2S1 |r,t:3| Show InChI InChI=1S/C9H16N2O3S/c1-11(2)9-10-5-3-6(13)7(4-12)14-8(5)15-9/h5-8,12-13H,3-4H2,1-2H3/t5-,6+,7-,8-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM289801 (Methyl (4-(((S)-1-((R)-6-chloro-2-oxo-1,2-dihydros...) Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](CC(C)(C)O)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ccc(Cl)cc21 |r| Show InChI InChI=1S/C26H29ClN4O7/c1-25(2,36)13-20(29-21(32)15-4-7-17(8-5-15)28-23(34)37-3)22(33)31-11-10-26(14-31)18-12-16(27)6-9-19(18)30-24(35)38-26/h4-9,12,20,36H,10-11,13-14H2,1-3H3,(H,28,34)(H,29,32)(H,30,35)/t20-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	12	-45.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM142083 (US8933040, 7) Show SMILES OC[C@H]1O[C@@H]2SC(=N[C@@H]2[C@@H](O)[C@@H]1O)N1CCCC1 |r,c:6| Show InChI InChI=1S/C11H18N2O4S/c14-5-6-8(15)9(16)7-10(17-6)18-11(12-7)13-3-1-2-4-13/h6-10,14-16H,1-5H2/t6-,7-,8-,9-,10-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50513940 (CHEMBL4586062) Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCCC)S2 |r,t:13| Show InChI InChI=1S/C10H17FN2O3S/c1-2-3-12-10-13-6-8(15)7(14)5(4-11)16-9(6)17-10/h5-9,14-15H,2-4H2,1H3,(H,12,13)/t5-,6-,7-,8-,9-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50513951 (CHEMBL4583010) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](F)[C@@]1([H])N=C(NCCC)S2 |r,t:13| Show InChI InChI=1S/C10H17FN2O3S/c1-2-3-12-10-13-7-6(11)8(15)5(4-14)16-9(7)17-10/h5-9,14-15H,2-4H2,1H3,(H,12,13)/t5-,6-,7-,8-,9-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM289803 (N—((S)-1-((R)-6-chloro-5-fluoro-2-oxo-1,2-dih...) Show SMILES Fc1c(Cl)ccc2NC(=O)O[C@]3(CCCN(C3)C(=O)C(Cc3cncnc3)NC(=O)c3ccc4[nH]c(=O)ccc4c3)c12 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15.6	-44.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM289848 (Methyl 3-amino-6-(((S)-1-((R)-6-chloro-2-oxo-1,2-d...) Show SMILES COC(=O)n1nc(N)c2ccc(cc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ccc(Cl)cc21 |r| Show InChI InChI=1S/C30H27ClN6O6/c1-42-29(41)37-24-14-18(7-9-20(24)25(32)35-37)26(38)33-23(13-17-5-3-2-4-6-17)27(39)36-12-11-30(16-36)21-15-19(31)8-10-22(21)34-28(40)43-30/h2-10,14-15,23H,11-13,16H2,1H3,(H2,32,35)(H,33,38)(H,34,40)/t23-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	18.1	-44.2	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50513930 (CHEMBL4543991) Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](O)[C@@]1([H])N=C(NCC)S2 |r,t:13| Show InChI InChI=1S/C9H15FN2O3S/c1-2-11-9-12-5-7(14)6(13)4(3-10)15-8(5)16-9/h4-8,13-14H,2-3H2,1H3,(H,11,12)/t4-,5-,6-,7-,8-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM205428 (US9243020, 33 | US9815861, Example 33) Show SMILES CNC1=N[C@H]2[C@H](O[C@H](C(F)F)[C@@H](O)[C@H]2F)S1 |r,t:2| Show InChI InChI=1S/C8H11F3N2O2S/c1-12-8-13-3-2(9)4(14)5(6(10)11)15-7(3)16-8/h2-7,14H,1H3,(H,12,13)/t2-,3+,4-,5-,7+/m0/s1	PDB KEGG UniProtKB/SwissProt 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
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50513944 (CHEMBL4453820) Show SMILES [H][C@]12O[C@H](C(F)F)[C@@H](O)[C@H](O)[C@@]1([H])N=C(S2)N1CCC1 |r,c:14| Show InChI InChI=1S/C10H14F2N2O3S/c11-8(12)7-6(16)5(15)4-9(17-7)18-10(13-4)14-2-1-3-14/h4-9,15-16H,1-3H2/t4-,5-,6+,7+,9-/m1/s1	PDB KEGG UniProtKB/SwissProt 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
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM205426 (US9243020, 27 | US9815861, Example 27) Show SMILES CNC1=N[C@@H]2C[C@H](O)[C@H](O[C@@H]2S1)C(F)F |r,t:2| Show InChI InChI=1S/C8H12F2N2O2S/c1-11-8-12-3-2-4(13)5(6(9)10)14-7(3)15-8/h3-7,13H,2H2,1H3,(H,11,12)/t3-,4+,5+,7-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM289796 (Methyl(4-(((2S)-1-(6-chloro-2-oxo-1,2-dihydrospiro...) Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1cc(no1)C1CC1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ccc(Cl)cc21 |r| Show InChI InChI=1S/C29H28ClN5O7/c1-40-27(38)31-19-7-4-17(5-8-19)25(36)32-24(14-20-13-23(34-42-20)16-2-3-16)26(37)35-11-10-29(15-35)21-12-18(30)6-9-22(21)33-28(39)41-29/h4-9,12-13,16,24H,2-3,10-11,14-15H2,1H3,(H,31,38)(H,32,36)(H,33,39)/t24-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	28.1	-43.1	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50513956 (CHEMBL4448352) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](F)[C@@]1([H])N=C(NCC)S2 |r,t:13| Show InChI InChI=1S/C9H15FN2O3S/c1-2-11-9-12-6-5(10)7(14)4(3-13)15-8(6)16-9/h4-8,13-14H,2-3H2,1H3,(H,11,12)/t4-,5-,6-,7-,8-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM289794 (US10093683, Example 21b) Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](CC1CC1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ccc(Cl)cc21 |r| Show InChI InChI=1S/C26H27ClN4O6/c1-36-24(34)28-18-7-4-16(5-8-18)22(32)29-21(12-15-2-3-15)23(33)31-11-10-26(14-31)19-13-17(27)6-9-20(19)30-25(35)37-26/h4-9,13,15,21H,2-3,10-12,14H2,1H3,(H,28,34)(H,29,32)(H,30,35)/t21-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	31.2	-42.8	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM289797 (Methyl (4-(((S)-1-((R)-6-chloro-2-oxo-1,2-dihydros...) Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](CC(=O)N1CC(F)(F)C1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)cc21 |r| Show InChI InChI=1S/C28H28ClF2N5O7/c1-42-25(40)32-18-6-3-16(4-7-18)23(38)33-21(12-22(37)36-14-28(30,31)15-36)24(39)35-10-2-9-27(13-35)19-11-17(29)5-8-20(19)34-26(41)43-27/h3-8,11,21H,2,9-10,12-15H2,1H3,(H,32,40)(H,33,38)(H,34,41)/t21-,27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	33.3	-42.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM289816 (US10093683, Example 122a | US10093683, Example 122...) Show SMILES COC(=O)Nc1ccc(cc1)-c1c[nH]c(n1)C(Cc1ccccc1)C(=O)N1CCC2(C1)OC(=O)Nc1ccc(Cl)cc21 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	33.6	-42.7	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50513949 (CHEMBL4476839) Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@@H](F)[C@@]1([H])N=C(NC)S2 |r,t:13| Show InChI InChI=1S/C8H12F2N2O2S/c1-11-8-12-5-4(10)6(13)3(2-9)14-7(5)15-8/h3-7,13H,2H2,1H3,(H,11,12)/t3-,4+,5-,6-,7-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50513952 (CHEMBL4576476) Show SMILES [H][C@]12O[C@H](CO)[C@@H](O)[C@H](F)[C@@]1([H])N=C(S2)N(C)C |r,c:13| Show InChI InChI=1S/C9H15FN2O3S/c1-12(2)9-11-6-5(10)7(14)4(3-13)15-8(6)16-9/h4-8,13-14H,3H2,1-2H3/t4-,5-,6-,7-,8-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM205420 (US9243020, 2 | US9815861, Example 2) Show SMILES CCNC1=N[C@@H]2C[C@H](O)[C@@H](CO)O[C@@H]2S1 |r,t:3| Show InChI InChI=1S/C9H16N2O3S/c1-2-10-9-11-5-3-6(13)7(4-12)14-8(5)15-9/h5-8,12-13H,2-4H2,1H3,(H,10,11)/t5-,6+,7-,8-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50513959 (CHEMBL4465511) Show SMILES [H][C@]12O[C@H](CF)[C@@H](O)[C@H](F)[C@@]1([H])N=C(NC)S2 |r,t:13| Show InChI InChI=1S/C8H12F2N2O2S/c1-11-8-12-5-4(10)6(13)3(2-9)14-7(5)15-8/h3-7,13H,2H2,1H3,(H,11,12)/t3-,4-,5-,6-,7-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Protein O-GlcNAcase (Homo sapiens (Human))	BDBM50513950 (CHEMBL4454814) Show SMILES [H][C@@]12C[C@H](O)[C@@H](CO)O[C@]1([H])SC(NCCC)=N2 |r,c:17| Show InChI InChI=1S/C10H18N2O3S/c1-2-3-11-10-12-6-4-7(14)8(5-13)15-9(6)16-10/h6-9,13-14H,2-5H2,1H3,(H,11,12)/t6-,7+,8-,9-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of recombinant human OGA				J Med Chem 62: 10062-10097 (2019) Article DOI: 10.1021/acs.jmedchem.9b01090 BindingDB Entry DOI: 10.7270/Q21G0QMH
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM289799 (Methyl (4-(((S)-1-((R)-6-chloro-2-oxo-1,2-dihydros...) Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](CCNC(=O)C1CCC1)C(=O)N1CCC[C@@]2(C1)OC(=O)Nc1ccc(Cl)cc21 |r| Show InChI InChI=1S/C30H34ClN5O7/c1-42-28(40)33-21-9-6-19(7-10-21)26(38)34-24(12-14-32-25(37)18-4-2-5-18)27(39)36-15-3-13-30(17-36)22-16-20(31)8-11-23(22)35-29(41)43-30/h6-11,16,18,24H,2-5,12-15,17H2,1H3,(H,32,37)(H,33,40)(H,34,38)(H,35,41)/t24-,30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	50.7	-41.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM289800 (Methyl (4-(((2S)-1-((R)-6-chloro-2-oxo-1,2-dihydro...) Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](CC(C)O)C(=O)N1CCC2(C1)OC(=O)Nc1ccc(Cl)cc21 |r| Show InChI InChI=1S/C25H27ClN4O7/c1-14(31)11-20(28-21(32)15-3-6-17(7-4-15)27-23(34)36-2)22(33)30-10-9-25(13-30)18-12-16(26)5-8-19(18)29-24(35)37-25/h3-8,12,14,20,31H,9-11,13H2,1-2H3,(H,27,34)(H,28,32)(H,29,35)/t14?,20-,25?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	52	-41.6	n/a	n/a	n/a	n/a	n/a	7.4	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...				US Patent US10093683 (2018) BindingDB Entry DOI: 10.7270/Q2RR2197
					More data for this Ligand-Target Pair

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