Compile Data Set for Download or QSAR

Found 179 hits with Last Name = 'pinto' and Initial = 'djp'   

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))	BDBM50582801 (CHEMBL5076656) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2cc(Cl)nn2)c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50250493 (CHEMBL4068445) Show SMILES CN1CCC2(CCN(CC2)c2cccc3[C@H](N(CCc23)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)C(=O)Nc2ccc(cc2)C(O)=O)C1=O |r| Show InChI InChI=1S/C36H34ClFN8O5/c1-43-18-14-36(35(43)51)15-19-44(20-16-36)28-4-2-3-25-24(28)13-17-45(32(25)33(48)40-23-7-5-22(6-8-23)34(49)50)30(47)12-9-26-29(46-21-39-41-42-46)11-10-27(37)31(26)38/h2-12,21,32H,13-20H2,1H3,(H,40,48)(H,49,50)/b12-9+/t32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50250492 (CHEMBL4097304) Show SMILES CN(C)C1CCN(CC1)c1cccc2[C@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C34H34ClFN8O4/c1-41(2)23-14-17-42(18-15-23)28-5-3-4-25-24(28)16-19-43(32(25)33(46)38-22-8-6-21(7-9-22)34(47)48)30(45)13-10-26-29(44-20-37-39-40-44)12-11-27(35)31(26)36/h3-13,20,23,32H,14-19H2,1-2H3,(H,38,46)(H,47,48)/b13-10+/t32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0980	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM247411 (US10336754, Example 353 | US11053247, Example 353 ...) Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r| Show InChI InChI=1S/C28H23Cl2F2N9O2/c1-15-3-2-4-23(20-9-16(7-8-33-20)26-21(36-27(15)43)12-35-41(26)28(31)32)39-14-34-19(11-25(39)42)18-10-17(29)5-6-22(18)40-13-24(30)37-38-40/h5-15,23,28H,2-4H2,1H3,(H,36,43)/t15-,23+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50582799 (CHEMBL5094166) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2cc(Cl)nn2)c2cc(ccn2)-c2c(NC1=O)cnn2C |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50230322 (CHEMBL4071545) Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17| Show InChI InChI=1S/C28H26ClN9O4/c1-42-28(41)32-19-9-10-20-22(14-19)34-25(39)6-4-2-3-5-21(27-30-15-23(20)35-27)33-26(40)12-7-17-13-18(29)8-11-24(17)38-16-31-36-37-38/h2-3,7-16,21H,4-6H2,1H3,(H,30,35)(H,32,41)(H,33,40)(H,34,39)/b3-2+,12-7+/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.008 BindingDB Entry DOI: 10.7270/Q23F4T2C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50582800 (CHEMBL5093567) Show SMILES C[C@@H]1CCC[C@@H](c2cc(ccn2)-c2c(NC1=O)cnn2C)n1cnc(cc1=O)-c1cc(Cl)ccc1-n1cc(Cl)nn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50514438 (CHEMBL4439729) Show SMILES OC(=O)C(F)(F)F.COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3cc-2ccn3)c1 |r| Show InChI InChI=1S/C30H29ClN8O4.C2HF3O2/c1-18-4-3-5-24(35-28(40)11-6-20-14-21(31)7-10-27(20)39-17-33-37-38-39)26-15-19(12-13-32-26)23-9-8-22(34-30(42)43-2)16-25(23)36-29(18)41;3-2(4,5)1(6)7/h6-18,24H,3-5H2,1-2H3,(H,34,42)(H,35,40)(H,36,41);(H,6,7)/b11-6+;/t18-,24+;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human activated factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry				J Med Chem 63: 784-803 (2020) Article DOI: 10.1021/acs.jmedchem.9b01768 BindingDB Entry DOI: 10.7270/Q2J67M9S
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50269186 (CHEMBL4089185) Show SMILES CC[C@@H]1CCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2nc(c[nH]2)-c2ccc(NC(=O)OC)cc2NC1=O |r| Show InChI InChI=1S/C29H30ClN9O4/c1-3-17-5-4-6-22(34-26(40)12-7-18-13-19(30)8-11-25(18)39-16-32-37-38-39)27-31-15-24(35-27)21-10-9-20(33-29(42)43-2)14-23(21)36-28(17)41/h7-17,22H,3-6H2,1-2H3,(H,31,35)(H,33,42)(H,34,40)(H,36,41)/b12-7+/t17-,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human activated factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry				J Med Chem 63: 784-803 (2020) Article DOI: 10.1021/acs.jmedchem.9b01768 BindingDB Entry DOI: 10.7270/Q2J67M9S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50514437 (CHEMBL4444690) Show SMILES CC[C@@H]1CCC[C@H](NC(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2cc(ccn2)-c2ccc(NC(=O)OC)cc2NC1=O |r| Show InChI InChI=1S/C31H31ClN8O4/c1-3-19-5-4-6-25(36-29(41)12-7-21-15-22(32)8-11-28(21)40-18-34-38-39-40)27-16-20(13-14-33-27)24-10-9-23(35-31(43)44-2)17-26(24)37-30(19)42/h7-19,25H,3-6H2,1-2H3,(H,35,43)(H,36,41)(H,37,42)/b12-7+/t19-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human activated factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry				J Med Chem 63: 784-803 (2020) Article DOI: 10.1021/acs.jmedchem.9b01768 BindingDB Entry DOI: 10.7270/Q2J67M9S
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50541586 (CHEMBL4638245) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:22| Show InChI InChI=1S/C31H29ClF2N4O4/c1-17-4-3-5-26(38-13-11-19(15-27(38)39)28-23(33)9-8-22(32)29(28)34)25-14-18(10-12-35-25)21-7-6-20(36-31(41)42-2)16-24(21)37-30(17)40/h6-10,12,14-17,26H,3-5,11,13H2,1-2H3,(H,36,41)(H,37,40)/t17-,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50525762 (CHEMBL4467360) Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](OC1=O)c1c(F)ccc(Cl)c1F |r,t:18| Show InChI InChI=1S/C28H25Cl2F2N5O5/c1-41-27(39)33-14-7-8-15-18(13-14)34-21(38)6-4-2-3-5-19(26-35-24(15)25(30)36-26)37-12-11-20(42-28(37)40)22-17(31)10-9-16(29)23(22)32/h2-3,7-10,13,19-20H,4-6,11-12H2,1H3,(H,33,39)(H,34,38)(H,35,36)/b3-2+/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.008 BindingDB Entry DOI: 10.7270/Q23F4T2C
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50458535 (CHEMBL4203066) Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCCCC(=O)Nc2c1)NC(=O)[C@H]1CC[C@H](CN)CC1 |r,wU:30.33,14.26,wD:27.29,(54.73,-42.06,;53.82,-40.81,;52.29,-40.97,;51.66,-42.37,;51.39,-39.72,;49.86,-39.88,;49.23,-41.29,;47.69,-41.44,;46.79,-40.19,;45.27,-40.35,;44.49,-41.68,;42.99,-41.36,;42.83,-39.83,;44.24,-39.2,;41.5,-39.06,;41.5,-37.52,;42.84,-36.75,;42.84,-35.21,;44.33,-34.81,;45.42,-35.89,;46.91,-35.48,;45.03,-37.38,;47.42,-38.79,;48.95,-38.63,;40.16,-39.82,;38.83,-39.05,;38.84,-37.51,;37.5,-39.82,;36.17,-39.04,;34.84,-39.82,;34.84,-41.36,;33.5,-42.13,;32.17,-41.36,;36.17,-42.12,;37.5,-41.36,)| Show InChI InChI=1S/C25H34N6O4/c1-35-25(34)28-17-10-11-18-20(12-17)29-22(32)5-3-2-4-19(23-27-14-21(18)30-23)31-24(33)16-8-6-15(13-26)7-9-16/h10-12,14-16,19H,2-9,13,26H2,1H3,(H,27,30)(H,28,34)(H,29,32)(H,31,33)/t15-,16-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 11a incubated for 60 mins by Cheng-Prusoff equation analysis				J Med Chem 61: 7425-7447 (2018) Article DOI: 10.1021/acs.jmedchem.8b00173 BindingDB Entry DOI: 10.7270/Q2QJ7KW0
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50250501 (CHEMBL4078562) Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCOCC2)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C31H27ClFN7O5/c32-24-9-10-26(40-18-34-36-37-40)23(28(24)33)8-11-27(41)39-13-12-21-22(2-1-3-25(21)38-14-16-45-17-15-38)29(39)30(42)35-20-6-4-19(5-7-20)31(43)44/h1-11,18,29H,12-17H2,(H,35,42)(H,43,44)/b11-8+/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50269195 (CHEMBL4101766) Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@@H](C)C(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI InChI=1S/C28H28ClN9O4/c1-16-4-3-5-21(33-25(39)11-6-17-12-18(29)7-10-24(17)38-15-31-36-37-38)26-30-14-23(34-26)20-9-8-19(32-28(41)42-2)13-22(20)35-27(16)40/h6-16,21H,3-5H2,1-2H3,(H,30,34)(H,32,41)(H,33,39)(H,35,40)/b11-6+/t16-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human activated factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry				J Med Chem 63: 784-803 (2020) Article DOI: 10.1021/acs.jmedchem.9b01768 BindingDB Entry DOI: 10.7270/Q2J67M9S
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50250490 (CHEMBL4087166) Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCSCC2)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C31H27ClFN7O4S/c32-24-9-10-26(40-18-34-36-37-40)23(28(24)33)8-11-27(41)39-13-12-21-22(2-1-3-25(21)38-14-16-45-17-15-38)29(39)30(42)35-20-6-4-19(5-7-20)31(43)44/h1-11,18,29H,12-17H2,(H,35,42)(H,43,44)/b11-8+/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM349975 ((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...) Show SMILES CN1CCN(C(=O)C1)c1cccc2[C@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C32H28ClFN8O5/c1-39-15-16-40(28(44)17-39)25-4-2-3-22-21(25)13-14-41(30(22)31(45)36-20-7-5-19(6-8-20)32(46)47)27(43)12-9-23-26(42-18-35-37-38-42)11-10-24(33)29(23)34/h2-12,18,30H,13-17H2,1H3,(H,36,45)(H,46,47)/b12-9+/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50582798 (CHEMBL5082323) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2ccnn2)c2cc(ccn2)-c2c(NC1=O)cnn2C(F)F |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50525762 (CHEMBL4467360) Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](OC1=O)c1c(F)ccc(Cl)c1F |r,t:18| Show InChI InChI=1S/C28H25Cl2F2N5O5/c1-41-27(39)33-14-7-8-15-18(13-14)34-21(38)6-4-2-3-5-19(26-35-24(15)25(30)36-26)37-12-11-20(42-28(37)40)22-17(31)10-9-16(29)23(22)32/h2-3,7-10,13,19-20H,4-6,11-12H2,1H3,(H,33,39)(H,34,38)(H,35,36)/b3-2+/t19-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.950	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.008 BindingDB Entry DOI: 10.7270/Q23F4T2C
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50582795 (CHEMBL5081455) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2ccnn2)c2cc(ccn2)-c2c(NC1=O)cnn2C1CC1 |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50514439 (CHEMBL4456818) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCC[C@H](NC(=O)\C=C\c3cc(Cl)ccc3-n3cnnn3)c3cc-2ccn3)c1 |r| Show InChI InChI=1S/C29H27ClN8O4/c1-42-29(41)33-21-8-9-22-18-12-13-31-25(15-18)23(4-2-3-5-27(39)35-24(22)16-21)34-28(40)11-6-19-14-20(30)7-10-26(19)38-17-32-36-37-38/h6-17,23H,2-5H2,1H3,(H,33,41)(H,34,40)(H,35,39)/b11-6+/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human activated factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry				J Med Chem 63: 784-803 (2020) Article DOI: 10.1021/acs.jmedchem.9b01768 BindingDB Entry DOI: 10.7270/Q2J67M9S
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50582794 (CHEMBL5077709) Show SMILES CCn1ncc2NC(=O)[C@H](C)CCC[C@H](N3CCC(=CC3=O)c3cc(Cl)ccc3-n3ccnn3)c3cc(ccn3)-c12 |r,c:18| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50250494 (CHEMBL4089581) Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCCCC2=O)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C32H27ClFN7O5/c33-24-12-13-26(41-18-35-37-38-41)23(29(24)34)11-14-28(43)40-17-15-21-22(4-3-5-25(21)39-16-2-1-6-27(39)42)30(40)31(44)36-20-9-7-19(8-10-20)32(45)46/h3-5,7-14,18,30H,1-2,6,15-17H2,(H,36,44)(H,45,46)/b14-11+/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50250495 (CHEMBL4081710) Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCNCC2=O)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C31H26ClFN8O5/c32-23-9-10-25(41-17-35-37-38-41)22(28(23)33)8-11-26(42)40-14-12-20-21(2-1-3-24(20)39-15-13-34-16-27(39)43)29(40)30(44)36-19-6-4-18(5-7-19)31(45)46/h1-11,17,29,34H,12-16H2,(H,36,44)(H,45,46)/b11-8+/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50582793 (CHEMBL5082956) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2ccnn2)c2cc(ccn2)-c2c(NC1=O)cnn2C |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50525770 (CHEMBL4452300) Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CCC(NC1=O)c1c(F)ccc(Cl)c1F |r,t:17| Show InChI InChI=1S/C28H27ClF2N6O4/c1-41-28(40)33-15-7-8-16-20(13-15)34-23(38)6-4-2-3-5-22(26-32-14-21(16)35-26)37-12-11-19(36-27(37)39)24-18(30)10-9-17(29)25(24)31/h2-3,7-10,13-14,19,22H,4-6,11-12H2,1H3,(H,32,35)(H,33,40)(H,34,38)(H,36,39)/b3-2+/t19?,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.008 BindingDB Entry DOI: 10.7270/Q23F4T2C
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50525779 (CHEMBL4550408) Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](OC1=O)c1cc(Cl)ccc1C(F)(F)F |r,t:18| Show InChI InChI=1S/C29H26Cl2F3N5O5/c1-43-27(41)35-16-8-9-17-20(14-16)36-23(40)6-4-2-3-5-21(26-37-24(17)25(31)38-26)39-12-11-22(44-28(39)42)18-13-15(30)7-10-19(18)29(32,33)34/h2-3,7-10,13-14,21-22H,4-6,11-12H2,1H3,(H,35,41)(H,36,40)(H,37,38)/b3-2+/t21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.008 BindingDB Entry DOI: 10.7270/Q23F4T2C
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50250512 (CHEMBL4059788) Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCOCC2=O)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C31H25ClFN7O6/c32-23-9-10-25(40-17-34-36-37-40)22(28(23)33)8-11-26(41)39-13-12-20-21(2-1-3-24(20)38-14-15-46-16-27(38)42)29(39)30(43)35-19-6-4-18(5-7-19)31(44)45/h1-11,17,29H,12-16H2,(H,35,43)(H,44,45)/b11-8+/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50250491 (CHEMBL4105006) Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCS(=O)(=O)CC2)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C31H27ClFN7O6S/c32-24-9-10-26(40-18-34-36-37-40)23(28(24)33)8-11-27(41)39-13-12-21-22(2-1-3-25(21)38-14-16-47(45,46)17-15-38)29(39)30(42)35-20-6-4-19(5-7-20)31(43)44/h1-11,18,29H,12-17H2,(H,35,42)(H,43,44)/b11-8+/t29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM350469 (US10208068, Example 40) Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](CCC[C@@H](C)C(=O)Nc2c1)NC(=O)c1cnn(c1C)-c1cccc(Cl)c1F |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human activated factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry				J Med Chem 63: 784-803 (2020) Article DOI: 10.1021/acs.jmedchem.9b01768 BindingDB Entry DOI: 10.7270/Q2J67M9S
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50525772 (CHEMBL4475559) Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](OC1=O)c1cc(Cl)ccc1F |r,t:18| Show InChI InChI=1S/C28H26Cl2FN5O5/c1-40-27(38)32-16-8-9-17-20(14-16)33-23(37)6-4-2-3-5-21(26-34-24(17)25(30)35-26)36-12-11-22(41-28(36)39)18-13-15(29)7-10-19(18)31/h2-3,7-10,13-14,21-22H,4-6,11-12H2,1H3,(H,32,38)(H,33,37)(H,34,35)/b3-2+/t21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.008 BindingDB Entry DOI: 10.7270/Q23F4T2C
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50525773 (CHEMBL4460266) Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](CC1=O)c1c(F)ccc(Cl)c1F |r,t:17| Show InChI InChI=1S/C29H28ClF2N5O4/c1-41-29(40)34-17-7-8-18-21(14-17)35-24(38)6-4-2-3-5-23(28-33-15-22(18)36-28)37-12-11-16(13-25(37)39)26-20(31)10-9-19(30)27(26)32/h2-3,7-10,14-16,23H,4-6,11-13H2,1H3,(H,33,36)(H,34,40)(H,35,38)/b3-2+/t16-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.008 BindingDB Entry DOI: 10.7270/Q23F4T2C
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM350476 (US10208068, Example 78) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](NC(=O)c3cnn(c3C)-c3cccc(Cl)c3F)c3cc-2ccn3)c1 |r| Show InChI InChI=1S/C31H30ClFN6O4/c1-17-6-4-8-24(37-30(41)22-16-35-39(18(22)2)27-9-5-7-23(32)28(27)33)26-14-19(12-13-34-26)21-11-10-20(36-31(42)43-3)15-25(21)38-29(17)40/h5,7,9-17,24H,4,6,8H2,1-3H3,(H,36,42)(H,37,41)(H,38,40)/t17-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human activated factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry				J Med Chem 63: 784-803 (2020) Article DOI: 10.1021/acs.jmedchem.9b01768 BindingDB Entry DOI: 10.7270/Q2J67M9S
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50250511 (CHEMBL4079281) Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCCCC2)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C32H29ClFN7O4/c33-25-12-13-27(41-19-35-37-38-41)24(29(25)34)11-14-28(42)40-18-15-22-23(5-4-6-26(22)39-16-2-1-3-17-39)30(40)31(43)36-21-9-7-20(8-10-21)32(44)45/h4-14,19,30H,1-3,15-18H2,(H,36,43)(H,44,45)/b14-11+/t30-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50582791 (CHEMBL5094070) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2cc(Cl)ccc2-n2ccnc2)c2cc(ccn2)-c2c(NC1=O)cnn2C |r,c:9| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human coagulation factor 11a using L-Pyroglutamyl-L-prolyl-L-arginine p-Nitroaniline as substrate assessed as inhibition constant...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00613 BindingDB Entry DOI: 10.7270/Q20005Z7
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50063669 (CHEMBL3398641) Show SMILES COC(=O)Nc1ccc(cc1)-c1nc([nH]c1Cl)[C@H](Cc1ccccc1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of activated coagulation factor 11 (unknown origin) assessed as inhibitory constant				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.008 BindingDB Entry DOI: 10.7270/Q23F4T2C
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50514435 (CHEMBL4437236) Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](NC(=O)c3cnn(c3N)-c3cccc(Cl)c3F)c3cc-2ccn3)c1 |r| Show InChI InChI=1S/C30H29ClFN7O4.2C2HF3O2/c1-16-5-3-7-22(37-29(41)20-15-35-39(27(20)33)25-8-4-6-21(31)26(25)32)24-13-17(11-12-34-24)19-10-9-18(36-30(42)43-2)14-23(19)38-28(16)40;2*3-2(4,5)1(6)7/h4,6,8-16,22H,3,5,7,33H2,1-2H3,(H,36,42)(H,37,41)(H,38,40);2*(H,6,7)/t16-,22+;;/m1../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human activated factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry				J Med Chem 63: 784-803 (2020) Article DOI: 10.1021/acs.jmedchem.9b01768 BindingDB Entry DOI: 10.7270/Q2J67M9S
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM161055 (US9108951, 10 | US9394276, 10 | US9725435, 10) Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3ccccc23)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C27H20ClFN6O4/c28-21-10-11-22(35-15-30-32-33-35)20(24(21)29)9-12-23(36)34-14-13-16-3-1-2-4-19(16)25(34)26(37)31-18-7-5-17(6-8-18)27(38)39/h1-12,15,25H,13-14H2,(H,31,37)(H,38,39)/b12-9+/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50514432 (CHEMBL4438385) Show SMILES Cl.Cl.COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](NC(=O)c3ncn(c3C)-c3cccc(Cl)c3F)c3cc-2ccn3)c1 |r| Show InChI InChI=1S/C31H30ClFN6O4.2ClH/c1-17-6-4-8-23(37-30(41)28-18(2)39(16-35-28)26-9-5-7-22(32)27(26)33)25-14-19(12-13-34-25)21-11-10-20(36-31(42)43-3)15-24(21)38-29(17)40;;/h5,7,9-17,23H,4,6,8H2,1-3H3,(H,36,42)(H,37,41)(H,38,40);2*1H/t17-,23+;;/m1../s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human activated factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry				J Med Chem 63: 784-803 (2020) Article DOI: 10.1021/acs.jmedchem.9b01768 BindingDB Entry DOI: 10.7270/Q2J67M9S
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50525771 (CHEMBL4465144) Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](OC1=O)c1cccc(Cl)c1 |r,t:18| Show InChI InChI=1S/C28H27Cl2N5O5/c1-39-27(37)31-18-10-11-19-20(15-18)32-23(36)9-4-2-3-8-21(26-33-24(19)25(30)34-26)35-13-12-22(40-28(35)38)16-6-5-7-17(29)14-16/h2-3,5-7,10-11,14-15,21-22H,4,8-9,12-13H2,1H3,(H,31,37)(H,32,36)(H,33,34)/b3-2+/t21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.008 BindingDB Entry DOI: 10.7270/Q23F4T2C
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50525769 (CHEMBL4551053) Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](OC1=O)c1c(F)ccc(Cl)c1F |r,t:17| Show InChI InChI=1S/C28H26ClF2N5O5/c1-40-27(38)33-15-7-8-16-19(13-15)34-23(37)6-4-2-3-5-21(26-32-14-20(16)35-26)36-12-11-22(41-28(36)39)24-18(30)10-9-17(29)25(24)31/h2-3,7-10,13-14,21-22H,4-6,11-12H2,1H3,(H,32,35)(H,33,38)(H,34,37)/b3-2+/t21-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.008 BindingDB Entry DOI: 10.7270/Q23F4T2C
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50525761 (CHEMBL4463167) Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CCC(NC1=O)c1cccc(Cl)c1 |r,t:17| Show InChI InChI=1S/C28H29ClN6O4/c1-39-28(38)31-19-10-11-20-22(15-19)32-25(36)9-4-2-3-8-24(26-30-16-23(20)33-26)35-13-12-21(34-27(35)37)17-6-5-7-18(29)14-17/h2-3,5-7,10-11,14-16,21,24H,4,8-9,12-13H2,1H3,(H,30,33)(H,31,38)(H,32,36)(H,34,37)/b3-2+/t21?,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.008 BindingDB Entry DOI: 10.7270/Q23F4T2C
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50250489 (CHEMBL4090783) Show SMILES COC(=O)N1CCN(CC1)c1cccc2C(N(CCc12)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C33H31ClN8O6/c1-48-33(47)40-17-15-39(16-18-40)28-4-2-3-26-25(28)13-14-41(30(26)31(44)36-24-9-5-21(6-10-24)32(45)46)29(43)12-7-22-19-23(34)8-11-27(22)42-20-35-37-38-42/h2-12,19-20,30H,13-18H2,1H3,(H,36,44)(H,45,46)/b12-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM349974 ((E)-4-(2-(3-(5-chloro-2-(1H-tetrazol-1-yl)phenyl)a...) Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3N2CCNCC2)C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 Show InChI InChI=1S/C31H29ClN8O4/c32-22-7-10-26(40-19-34-36-37-40)21(18-22)6-11-28(41)39-15-12-24-25(2-1-3-27(24)38-16-13-33-14-17-38)29(39)30(42)35-23-8-4-20(5-9-23)31(43)44/h1-11,18-19,29,33H,12-17H2,(H,35,42)(H,43,44)/b11-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50525763 (CHEMBL4438562) Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CC[C@@H](CC1=O)c1cccc(Cl)c1 |r,t:17| Show InChI InChI=1S/C29H30ClN5O4/c1-39-29(38)32-21-10-11-22-23(16-21)33-26(36)9-4-2-3-8-25(28-31-17-24(22)34-28)35-13-12-19(15-27(35)37)18-6-5-7-20(30)14-18/h2-3,5-7,10-11,14,16-17,19,25H,4,8-9,12-13,15H2,1H3,(H,31,34)(H,32,38)(H,33,36)/b3-2+/t19-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method				Bioorg Med Chem Lett 29: (2019) Article DOI: 10.1016/j.bmcl.2019.08.008 BindingDB Entry DOI: 10.7270/Q23F4T2C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50514441 (CHEMBL4476061) Show SMILES OC(=O)C(F)(F)F.COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](NC(=O)c3cnn(c3)-c3cccc(Cl)c3F)c3cc-2ccn3)c1 |r| Show InChI InChI=1S/C30H28ClFN6O4.C2HF3O2/c1-17-5-3-7-23(36-29(40)19-15-34-38(16-19)26-8-4-6-22(31)27(26)32)25-13-18(11-12-33-25)21-10-9-20(35-30(41)42-2)14-24(21)37-28(17)39;3-2(4,5)1(6)7/h4,6,8-17,23H,3,5,7H2,1-2H3,(H,35,41)(H,36,40)(H,37,39);(H,6,7)/t17-,23+;/m1./s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human activated factor XI using pyro-Glu-Pro-Arg-pNA as substrate by spectrophotometry				J Med Chem 63: 784-803 (2020) Article DOI: 10.1021/acs.jmedchem.9b01768 BindingDB Entry DOI: 10.7270/Q2J67M9S
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM349979 ((E)-4-(2-(3-(5-Chloro-2-(1H-tetrazol-1-yl)phenyl)a...) Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3N2CCCCC2=O)C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 Show InChI InChI=1S/C32H28ClN7O5/c33-22-10-13-26(40-19-34-36-37-40)21(18-22)9-14-29(42)39-17-15-24-25(4-3-5-27(24)38-16-2-1-6-28(38)41)30(39)31(43)35-23-11-7-20(8-12-23)32(44)45/h3-5,7-14,18-19,30H,1-2,6,15-17H2,(H,35,43)(H,44,45)/b14-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50250496 (CHEMBL4074535) Show SMILES CN(C)c1cccc2C(N(CCc12)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C29H26ClN7O4/c1-35(2)25-5-3-4-23-22(25)14-15-36(27(23)28(39)32-21-10-6-18(7-11-21)29(40)41)26(38)13-8-19-16-20(30)9-12-24(19)37-17-31-33-34-37/h3-13,16-17,27H,14-15H2,1-2H3,(H,32,39)(H,40,41)/b13-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50250485 (CHEMBL4063912) Show SMILES CCOC(=O)[C@H]1CCCN(C1)C(=O)c1cccc2C(N(CCc12)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O |r| Show InChI InChI=1S/C36H34ClN7O7/c1-2-51-36(50)24-5-4-17-42(20-24)34(47)29-7-3-6-28-27(29)16-18-43(32(28)33(46)39-26-12-8-22(9-13-26)35(48)49)31(45)15-10-23-19-25(37)11-14-30(23)44-21-38-40-41-44/h3,6-15,19,21,24,32H,2,4-5,16-18,20H2,1H3,(H,39,46)(H,48,49)/b15-10+/t24-,32?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method				J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50514432 (CHEMBL4438385) Show SMILES Cl.Cl.COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](NC(=O)c3ncn(c3C)-c3cccc(Cl)c3F)c3cc-2ccn3)c1 |r| Show InChI InChI=1S/C31H30ClFN6O4.2ClH/c1-17-6-4-8-23(37-30(41)28-18(2)39(16-35-28)26-9-5-7-22(32)27(26)33)25-14-19(12-13-34-25)21-11-10-20(36-31(42)43-3)15-24(21)38-29(17)40;;/h5,7,9-17,23H,4,6,8H2,1-3H3,(H,36,42)(H,37,41)(H,38,40);2*1H/t17-,23+;;/m1../s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human kallikrein using H-(D)-Pro-Phe-Arg-pNA as substrate by spectrophotometry				J Med Chem 63: 784-803 (2020) Article DOI: 10.1021/acs.jmedchem.9b01768 BindingDB Entry DOI: 10.7270/Q2J67M9S
					More data for this Ligand-Target Pair

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