Compile Data Set for Download or QSAR

Found 106 hits with Last Name = 'chacko' and Initial = 'sa'   

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))	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))	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
Bristol Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor11a using pyro-Glu-Pro-Arg-pNA(para-nitroaniline) substrate by spectrophotometry				J Med Chem 63: 7226-7242 (2020) Article DOI: 10.1021/acs.jmedchem.0c00464 BindingDB Entry DOI: 10.7270/Q2J67MHG
					More data for this Ligand-Target Pair				3D Structure (crystal)
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))	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))	BDBM50541581 (CHEMBL4646341) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCC(NC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r| Show InChI InChI=1S/C30H30ClF2N5O4/c1-16-4-3-5-25(38-13-11-22(37-29(38)40)26-21(32)9-8-20(31)27(26)33)24-14-17(10-12-34-24)19-7-6-18(35-30(41)42-2)15-23(19)36-28(16)39/h6-10,12,14-16,22,25H,3-5,11,13H2,1-2H3,(H,35,41)(H,36,39)(H,37,40)/t16-,22?,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	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 factor11a using pyro-Glu-Pro-Arg-pNA(para-nitroaniline) substrate by spectrophotometry				J Med Chem 63: 7226-7242 (2020) Article DOI: 10.1021/acs.jmedchem.0c00464 BindingDB Entry DOI: 10.7270/Q2J67MHG
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50541577 (CHEMBL4646441) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CC[C@@H](OC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r| Show InChI InChI=1S/C30H29ClF2N4O5/c1-16-4-3-5-24(37-13-11-25(42-30(37)40)26-21(32)9-8-20(31)27(26)33)23-14-17(10-12-34-23)19-7-6-18(35-29(39)41-2)15-22(19)36-28(16)38/h6-10,12,14-16,24-25H,3-5,11,13H2,1-2H3,(H,35,39)(H,36,38)/t16-,24+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	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 factor11a using pyro-Glu-Pro-Arg-pNA(para-nitroaniline) substrate by spectrophotometry				J Med Chem 63: 7226-7242 (2020) Article DOI: 10.1021/acs.jmedchem.0c00464 BindingDB Entry DOI: 10.7270/Q2J67MHG
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50541576 (CHEMBL4644510) Show SMILES COC(=O)Nc1ccc2-c3cnc([nH]3)[C@H](CCC[C@@H](C)C(=O)Nc2c1)N1CC[C@@H](OC1=O)c1c(F)ccc(Cl)c1F |r| Show InChI InChI=1S/C28H28ClF2N5O5/c1-14-4-3-5-21(36-11-10-22(41-28(36)39)23-18(30)9-8-17(29)24(23)31)25-32-13-20(34-25)16-7-6-15(33-27(38)40-2)12-19(16)35-26(14)37/h6-9,12-14,21-22H,3-5,10-11H2,1-2H3,(H,32,34)(H,33,38)(H,35,37)/t14-,21+,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	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 factor11a using pyro-Glu-Pro-Arg-pNA(para-nitroaniline) substrate by spectrophotometry				J Med Chem 63: 7226-7242 (2020) Article DOI: 10.1021/acs.jmedchem.0c00464 BindingDB Entry DOI: 10.7270/Q2J67MHG
					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))	BDBM50541582 (CHEMBL4636247) 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| Show InChI InChI=1S/C31H31ClF2N4O4/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/h6-10,12,14,16-17,19,26H,3-5,11,13,15H2,1-2H3,(H,36,41)(H,37,40)/t17-,19?,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	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 factor11a using pyro-Glu-Pro-Arg-pNA(para-nitroaniline) substrate by spectrophotometry				J Med Chem 63: 7226-7242 (2020) Article DOI: 10.1021/acs.jmedchem.0c00464 BindingDB Entry DOI: 10.7270/Q2J67MHG
					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))	BDBM50541579 (CHEMBL4637480) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CC[C@@H](OC3=O)c3c(F)ccc(Cl)c3F)c3ccnc-2c3)c1 |r| Show InChI InChI=1S/C30H29ClF2N4O5/c1-16-4-3-5-24(37-13-11-25(42-30(37)40)26-21(32)9-8-20(31)27(26)33)17-10-12-34-22(14-17)19-7-6-18(35-29(39)41-2)15-23(19)36-28(16)38/h6-10,12,14-16,24-25H,3-5,11,13H2,1-2H3,(H,35,39)(H,36,38)/t16-,24+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	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 factor11a using pyro-Glu-Pro-Arg-pNA(para-nitroaniline) substrate by spectrophotometry				J Med Chem 63: 7226-7242 (2020) Article DOI: 10.1021/acs.jmedchem.0c00464 BindingDB Entry DOI: 10.7270/Q2J67MHG
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50541578 (CHEMBL4638837) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CC[C@@H](OC3=O)c3c(F)ccc(Cl)c3F)c3cncc-2c3)c1 |r| Show InChI InChI=1S/C30H29ClF2N4O5/c1-16-4-3-5-24(37-11-10-25(42-30(37)40)26-22(32)9-8-21(31)27(26)33)18-12-17(14-34-15-18)20-7-6-19(35-29(39)41-2)13-23(20)36-28(16)38/h6-9,12-16,24-25H,3-5,10-11H2,1-2H3,(H,35,39)(H,36,38)/t16-,24+,25-/m1/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 human factor11a using pyro-Glu-Pro-Arg-pNA(para-nitroaniline) substrate by spectrophotometry				J Med Chem 63: 7226-7242 (2020) Article DOI: 10.1021/acs.jmedchem.0c00464 BindingDB Entry DOI: 10.7270/Q2J67MHG
					More data for this Ligand-Target Pair
Vitamin K-dependent protein C (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	Article PubMed	1.90	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 protein C using pyro-Glu-Pro-Arg-pNA(para-nitroaniline) substrate by spectrophotometry				J Med Chem 63: 7226-7242 (2020) Article DOI: 10.1021/acs.jmedchem.0c00464 BindingDB Entry DOI: 10.7270/Q2J67MHG
					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))	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))	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))	BDBM50541580 (CHEMBL4639313) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CC[C@@H](OC3=O)c3c(F)ccc(Cl)c3F)c3cc-2cnc3F)c1 |r| Show InChI InChI=1S/C30H28ClF3N4O5/c1-15-4-3-5-23(38-11-10-24(43-30(38)41)25-21(32)9-8-20(31)26(25)33)19-12-16(14-35-27(19)34)18-7-6-17(36-29(40)42-2)13-22(18)37-28(15)39/h6-9,12-15,23-24H,3-5,10-11H2,1-2H3,(H,36,40)(H,37,39)/t15-,23+,24-/m1/s1	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
Bristol Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor11a using pyro-Glu-Pro-Arg-pNA(para-nitroaniline) substrate by spectrophotometry				J Med Chem 63: 7226-7242 (2020) Article DOI: 10.1021/acs.jmedchem.0c00464 BindingDB Entry DOI: 10.7270/Q2J67MHG
					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
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50017021 (CHEMBL3287047 | US9428504, 1) Show SMILES CC(C)(C)CN1CCC2(CN(c3c2cccc3O)c2ccccc2NC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 Show InChI InChI=1S/C31H35F3N4O3/c1-29(2,3)19-37-17-15-30(16-18-37)20-38(27-23(30)7-6-10-26(27)39)25-9-5-4-8-24(25)36-28(40)35-21-11-13-22(14-12-21)41-31(32,33)34/h4-14,39H,15-20H2,1-3H3,(H2,35,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Binding affinity to P2Y1 receptor in human platelets				Bioorg Med Chem Lett 24: 1294-8 (2014) Article DOI: 10.1016/j.bmcl.2014.01.066 BindingDB Entry DOI: 10.7270/Q20G3MQF
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50541583 (CHEMBL4633639) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCN(CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r| Show InChI InChI=1S/C30H30ClF2N5O4/c1-17-4-3-5-25(38-13-12-37(16-26(38)39)28-22(32)9-8-21(31)27(28)33)24-14-18(10-11-34-24)20-7-6-19(35-30(41)42-2)15-23(20)36-29(17)40/h6-11,14-15,17,25H,3-5,12-13,16H2,1-2H3,(H,35,41)(H,36,40)/t17-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.5	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 factor11a using pyro-Glu-Pro-Arg-pNA(para-nitroaniline) substrate by spectrophotometry				J Med Chem 63: 7226-7242 (2020) Article DOI: 10.1021/acs.jmedchem.0c00464 BindingDB Entry DOI: 10.7270/Q2J67MHG
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50541585 (CHEMBL4635155) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CC(=O)N(CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r| Show InChI InChI=1S/C30H28ClF2N5O5/c1-16-4-3-5-24(37-14-26(40)38(15-25(37)39)28-21(32)9-8-20(31)27(28)33)23-12-17(10-11-34-23)19-7-6-18(35-30(42)43-2)13-22(19)36-29(16)41/h6-13,16,24H,3-5,14-15H2,1-2H3,(H,35,42)(H,36,41)/t16-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90	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 factor11a using pyro-Glu-Pro-Arg-pNA(para-nitroaniline) substrate by spectrophotometry				J Med Chem 63: 7226-7242 (2020) Article DOI: 10.1021/acs.jmedchem.0c00464 BindingDB Entry DOI: 10.7270/Q2J67MHG
					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))	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))	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
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))	BDBM161052 (US9108951, 3 | US9394276, 3 | US9725435, 3) Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3ccccc23)C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 |r| Show InChI InChI=1S/C27H21ClN6O4/c28-20-8-11-23(34-16-29-31-32-34)19(15-20)7-12-24(35)33-14-13-17-3-1-2-4-22(17)25(33)26(36)30-21-9-5-18(6-10-21)27(37)38/h1-12,15-16,25H,13-14H2,(H,30,36)(H,37,38)/b12-7+/t25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	11	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				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50250482 (CHEMBL4085488) 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?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	12	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))	BDBM50541584 (CHEMBL4639498) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CCN(C(=O)C3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r| Show InChI InChI=1S/C30H28ClF2N5O5/c1-16-4-3-5-24(37-12-13-38(29(41)28(37)40)26-21(32)9-8-20(31)25(26)33)23-14-17(10-11-34-23)19-7-6-18(35-30(42)43-2)15-22(19)36-27(16)39/h6-11,14-16,24H,3-5,12-13H2,1-2H3,(H,35,42)(H,36,39)/t16-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of human factor11a using pyro-Glu-Pro-Arg-pNA(para-nitroaniline) substrate by spectrophotometry				J Med Chem 63: 7226-7242 (2020) Article DOI: 10.1021/acs.jmedchem.0c00464 BindingDB Entry DOI: 10.7270/Q2J67MHG
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50250500 (CHEMBL4082994) Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c(NC(=O)NC4CCCC4)cccc23)C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 Show InChI InChI=1S/C33H31ClN8O5/c34-22-11-14-28(42-19-35-39-40-42)21(18-22)10-15-29(43)41-17-16-25-26(6-3-7-27(25)38-33(47)37-23-4-1-2-5-23)30(41)31(44)36-24-12-8-20(9-13-24)32(45)46/h3,6-15,18-19,23,30H,1-2,4-5,16-17H2,(H,36,44)(H,45,46)(H2,37,38,47)/b15-10+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	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))	BDBM50250472 (CHEMBL4070736) Show SMILES COC(=O)c1cccc2C(N(CCc12)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C29H23ClN6O6/c1-42-29(41)23-4-2-3-22-21(23)13-14-35(26(22)27(38)32-20-9-5-17(6-10-20)28(39)40)25(37)12-7-18-15-19(30)8-11-24(18)36-16-31-33-34-36/h2-12,15-16,26H,13-14H2,1H3,(H,32,38)(H,39,40)/b12-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	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))	BDBM50250499 (CHEMBL4063157) Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3C(=O)N2CCCCC2)C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 Show InChI InChI=1S/C33H30ClN7O5/c34-23-10-13-28(41-20-35-37-38-41)22(19-23)9-14-29(42)40-18-15-25-26(5-4-6-27(25)32(44)39-16-2-1-3-17-39)30(40)31(43)36-24-11-7-21(8-12-24)33(45)46/h4-14,19-20,30H,1-3,15-18H2,(H,36,43)(H,45,46)/b14-9+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	17	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))	BDBM50250481 (CHEMBL4084801) Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3C(=O)N2CCOCC2)C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 Show InChI InChI=1S/C32H28ClN7O6/c33-22-7-10-27(40-19-34-36-37-40)21(18-22)6-11-28(41)39-13-12-24-25(2-1-3-26(24)31(43)38-14-16-46-17-15-38)29(39)30(42)35-23-8-4-20(5-9-23)32(44)45/h1-11,18-19,29H,12-17H2,(H,35,42)(H,44,45)/b11-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	18	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
Chymotrypsinogen B2 (Homo sapiens)	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 Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	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 chymotrypsin by spectrophotometry				J Med Chem 63: 7226-7242 (2020) Article DOI: 10.1021/acs.jmedchem.0c00464 BindingDB Entry DOI: 10.7270/Q2J67MHG
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM170408 (US9079929, 34) Show SMILES CC(=O)Nc1cccc2C(N(CCc12)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C29H24ClN7O5/c1-17(38)32-24-4-2-3-23-22(24)13-14-36(27(23)28(40)33-21-9-5-18(6-10-21)29(41)42)26(39)12-7-19-15-20(30)8-11-25(19)37-16-31-34-35-37/h2-12,15-16,27H,13-14H2,1H3,(H,32,38)(H,33,40)(H,41,42)/b12-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	21	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))	BDBM50250486 (CHEMBL4072510) Show SMILES COC(=O)Nc1cccc2C(N(CCc12)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C29H24ClN7O6/c1-43-29(42)33-23-4-2-3-22-21(23)13-14-36(26(22)27(39)32-20-9-5-17(6-10-20)28(40)41)25(38)12-7-18-15-19(30)8-11-24(18)37-16-31-34-35-37/h2-12,15-16,26H,13-14H2,1H3,(H,32,39)(H,33,42)(H,40,41)/b12-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
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))	BDBM50250513 (CHEMBL4103298) Show SMILES OC(=O)c1ccc(NC(=O)[C@@H]2[C@H](CCN2C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)c2ccccc2)cc1 |r| Show InChI InChI=1S/C28H23ClN6O4/c29-21-9-12-24(35-17-30-32-33-35)20(16-21)8-13-25(36)34-15-14-23(18-4-2-1-3-5-18)26(34)27(37)31-22-10-6-19(7-11-22)28(38)39/h1-13,16-17,23,26H,14-15H2,(H,31,37)(H,38,39)/b13-8+/t23-,26+/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	23	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				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM50250479 (CHEMBL4078868) Show SMILES CN(C)C(=O)c1cccc2C(N(CCc12)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C30H26ClN7O5/c1-36(2)29(41)24-5-3-4-23-22(24)14-15-37(27(23)28(40)33-21-10-6-18(7-11-21)30(42)43)26(39)13-8-19-16-20(31)9-12-25(19)38-17-32-34-35-38/h3-13,16-17,27H,14-15H2,1-2H3,(H,33,40)(H,42,43)/b13-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	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))	BDBM50250488 (CHEMBL4100970) Show SMILES CCOC(=O)CCNC(=O)Nc1cccc2C(N(CCc12)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C33H31ClN8O7/c1-2-49-29(44)14-16-35-33(48)38-26-5-3-4-25-24(26)15-17-41(30(25)31(45)37-23-10-6-20(7-11-23)32(46)47)28(43)13-8-21-18-22(34)9-12-27(21)42-19-36-39-40-42/h3-13,18-19,30H,2,14-17H2,1H3,(H,37,45)(H,46,47)(H2,35,38,48)/b13-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	25	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))	BDBM50250475 (CHEMBL4077773) Show SMILES Cc1ccc2C(N(CCc2c1)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C28H23ClN6O4/c1-17-2-9-23-19(14-17)12-13-34(26(23)27(37)31-22-7-3-18(4-8-22)28(38)39)25(36)11-5-20-15-21(29)6-10-24(20)35-16-30-32-33-35/h2-11,14-16,26H,12-13H2,1H3,(H,31,37)(H,38,39)/b11-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	27	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))	BDBM50250480 (CHEMBL4096900) Show SMILES COCCN(C)C(=O)c1cccc2C(N(CCc12)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C32H30ClN7O6/c1-38(16-17-46-2)31(43)26-5-3-4-25-24(26)14-15-39(29(25)30(42)35-23-10-6-20(7-11-23)32(44)45)28(41)13-8-21-18-22(33)9-12-27(21)40-19-34-36-37-40/h3-13,18-19,29H,14-17H2,1-2H3,(H,35,42)(H,44,45)/b13-8+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	27	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))	BDBM50250477 (CHEMBL4081328) Show SMILES Cc1ccc2CCN(C(C(=O)Nc3ccc(cc3)C(O)=O)c2c1)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C28H23ClN6O4/c1-17-2-3-18-12-13-34(25(36)11-6-20-15-21(29)7-10-24(20)35-16-30-32-33-35)26(23(18)14-17)27(37)31-22-8-4-19(5-9-22)28(38)39/h2-11,14-16,26H,12-13H2,1H3,(H,31,37)(H,38,39)/b11-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	28	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))	BDBM50250459 (CHEMBL4089256) Show SMILES Cc1c2C(N(CCc2nn1C)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O Show InChI InChI=1S/C26H23ClN8O4/c1-15-23-20(30-33(15)2)11-12-34(24(23)25(37)29-19-7-3-16(4-8-19)26(38)39)22(36)10-5-17-13-18(27)6-9-21(17)35-14-28-31-32-35/h3-10,13-14,24H,11-12H2,1-2H3,(H,29,37)(H,38,39)/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
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))	BDBM50250473 (CHEMBL4097854) Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c(cccc23)C#N)C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 Show InChI InChI=1S/C28H20ClN7O4/c29-20-7-10-24(36-16-31-33-34-36)18(14-20)6-11-25(37)35-13-12-22-19(15-30)2-1-3-23(22)26(35)27(38)32-21-8-4-17(5-9-21)28(39)40/h1-11,14,16,26H,12-13H2,(H,32,38)(H,39,40)/b11-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	39	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))	BDBM161066 (US9108951, 86 | US9394276, 86 | US9725435, 86) Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3ncccc23)C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 Show InChI InChI=1S/C26H20ClN7O4/c27-18-6-9-22(34-15-29-31-32-34)17(14-18)5-10-23(35)33-13-11-21-20(2-1-12-28-21)24(33)25(36)30-19-7-3-16(4-8-19)26(37)38/h1-10,12,14-15,24H,11,13H2,(H,30,36)(H,37,38)/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	51	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))	BDBM50250463 (CHEMBL4100305) Show SMILES Clc1ccc(c(\C=C\C(=O)N2CCc3ccccc3[C@H]2C(=O)Nc2ccc3cn[nH]c3c2)c1)-n1cnnn1 |r| Show InChI InChI=1S/C27H21ClN8O2/c28-20-7-9-24(36-16-30-33-34-36)18(13-20)6-10-25(37)35-12-11-17-3-1-2-4-22(17)26(35)27(38)31-21-8-5-19-15-29-32-23(19)14-21/h1-10,13-16,26H,11-12H2,(H,29,32)(H,31,38)/b10-6+/t26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	57	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))	BDBM50250498 (CHEMBL4089196) Show SMILES OC(=O)c1ccc(NC(=O)C2N(CCc3c2cccc3C(O)=O)C(=O)\C=C\c2cc(Cl)ccc2-n2cnnn2)cc1 Show InChI InChI=1S/C28H21ClN6O6/c29-18-7-10-23(35-15-30-32-33-35)17(14-18)6-11-24(36)34-13-12-20-21(2-1-3-22(20)28(40)41)25(34)26(37)31-19-8-4-16(5-9-19)27(38)39/h1-11,14-15,25H,12-13H2,(H,31,37)(H,38,39)(H,40,41)/b11-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	74	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))	BDBM50250460 (CHEMBL4069553) Show SMILES Cc1nn(C)c2CCN(C(C(=O)Nc3ccc(cc3)C(O)=O)c12)C(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 Show InChI InChI=1S/C26H23ClN8O4/c1-15-23-21(33(2)30-15)11-12-34(24(23)25(37)29-19-7-3-16(4-8-19)26(38)39)22(36)10-5-17-13-18(27)6-9-20(17)35-14-28-31-32-35/h3-10,13-14,24H,11-12H2,1-2H3,(H,29,37)(H,38,39)/b10-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	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

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