Compile Data Set for Download or QSAR

Found 107 hits with Last Name = 'rynkiewicz' and Initial = 'mj'   

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))	BDBM12972 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C32H41BrN8O5S/c1-18(2)26(29(45)39-24(5-4-14-37-31(34)35)27(43)30-36-15-16-47-30)41-28(44)25(17-20-6-12-23(42)13-7-20)40-32(46)38-19(3)21-8-10-22(33)11-9-21/h6-13,15-16,18-19,24-26,42H,4-5,14,17H2,1-3H3,(H,39,45)(H,41,44)(H4,34,35,37)(H2,38,40,46)/t19-,24+,25+,26+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12973 ((2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}am...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C29H44BrN11O4S/c1-16(2)22(25(44)39-20(6-4-12-36-27(31)32)23(42)26-35-14-15-46-26)41-24(43)21(7-5-13-37-28(33)34)40-29(45)38-17(3)18-8-10-19(30)11-9-18/h8-11,14-17,20-22H,4-7,12-13H2,1-3H3,(H,39,44)(H,41,43)(H4,31,32,36)(H4,33,34,37)(H2,38,40,45)/t17-,20+,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12974 ((2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}am...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C27H38BrN9O5S/c1-14(2)21(24(41)35-18(5-4-10-33-26(30)31)22(39)25-32-11-12-43-25)37-23(40)19(13-20(29)38)36-27(42)34-15(3)16-6-8-17(28)9-7-16/h6-9,11-12,14-15,18-19,21H,4-5,10,13H2,1-3H3,(H2,29,38)(H,35,41)(H,37,40)(H4,30,31,33)(H2,34,36,42)/t15-,18+,19+,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12968 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C31H45BrN8O4S/c1-18(2)24(27(42)38-23(10-7-15-36-30(33)34)26(41)29-35-16-17-45-29)39-28(43)25(21-8-5-4-6-9-21)40-31(44)37-19(3)20-11-13-22(32)14-12-20/h11-14,16-19,21,23-25H,4-10,15H2,1-3H3,(H,38,42)(H,39,43)(H4,33,34,36)(H2,37,40,44)/t19-,23+,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12962 ((2S)-2-({[1-(4-bromophenyl)ethyl]carbamoyl}amino)-...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C29H43BrN8O4S/c1-16(2)15-22(37-29(42)35-18(5)19-8-10-20(30)11-9-19)25(40)38-23(17(3)4)26(41)36-21(7-6-12-34-28(31)32)24(39)27-33-13-14-43-27/h8-11,13-14,16-18,21-23H,6-7,12,15H2,1-5H3,(H,36,41)(H,38,40)(H4,31,32,34)(H2,35,37,42)/t18?,21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12977 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C31H40BrN9O4S/c1-18(2)25(28(44)39-23(7-5-13-37-30(33)34)26(42)29-36-14-15-46-29)41-27(43)24(16-20-6-4-12-35-17-20)40-31(45)38-19(3)21-8-10-22(32)11-9-21/h4,6,8-12,14-15,17-19,23-25H,5,7,13,16H2,1-3H3,(H,39,44)(H,41,43)(H4,33,34,37)(H2,38,40,45)/t19-,23+,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12970 ((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C31H40FN9O4S/c1-18(2)25(28(44)39-23(7-5-13-37-30(33)34)26(42)29-36-14-15-46-29)41-27(43)24(16-20-6-4-12-35-17-20)40-31(45)38-19(3)21-8-10-22(32)11-9-21/h4,6,8-12,14-15,17-19,23-25H,5,7,13,16H2,1-3H3,(H,39,44)(H,41,43)(H4,33,34,37)(H2,38,40,45)/t19-,23+,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12975 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1 |r,wU:7.19,34.36,22.24,wD:3.3,(-2.47,-.39,;-1.14,.38,;.19,-.39,;-1.14,1.92,;-2.47,2.69,;-3.81,1.92,;-3.81,.38,;-5.14,2.69,;-5.14,4.23,;-5.54,5.72,;-4.62,6.96,;-5.52,8.21,;-6.99,7.75,;-8.31,8.53,;-9.65,7.77,;-9.67,6.23,;-8.34,5.45,;-7,6.21,;-6.47,1.92,;-7.81,2.69,;-7.81,4.23,;-9.14,1.92,;-10.48,2.69,;-10.48,4.23,;-11.81,1.92,;-13.14,2.69,;-14.48,1.92,;-14.48,.38,;-15.81,-.39,;-13.14,-.39,;-11.81,.38,;.19,2.69,;.19,4.23,;1.53,1.92,;2.86,2.69,;2.86,4.23,;4.19,5,;4.19,6.54,;2.86,7.31,;2.86,8.85,;4.19,9.62,;1.53,9.62,;4.19,1.92,;4.19,.38,;5.53,2.69,;7.07,2.69,;7.54,4.16,;6.3,5.06,;5.05,4.16,)| Show InChI InChI=1S/C34H42BrN9O4S/c1-19(2)28(31(47)42-26(9-6-14-39-33(36)37)29(45)32-38-15-16-49-32)44-30(46)27(17-22-18-40-25-8-5-4-7-24(22)25)43-34(48)41-20(3)21-10-12-23(35)13-11-21/h4-5,7-8,10-13,15-16,18-20,26-28,40H,6,9,14,17H2,1-3H3,(H,42,47)(H,44,46)(H4,36,37,39)(H2,41,43,48)/t20-,26+,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12976 ((2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}am...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C29H43BrN10O5S/c1-16(2)22(25(43)38-20(6-4-12-35-27(31)32)23(41)26-34-14-15-46-26)40-24(42)21(7-5-13-36-28(33)44)39-29(45)37-17(3)18-8-10-19(30)11-9-18/h8-11,14-17,20-22H,4-7,12-13H2,1-3H3,(H,38,43)(H,40,42)(H4,31,32,35)(H3,33,36,44)(H2,37,39,45)/t17-,20+,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor XI (Homo sapiens (Human))	BDBM12963 ((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1Cl)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C28H40Cl2N8O4S/c1-15(2)12-21(37-28(42)35-14-17-7-8-18(29)13-19(17)30)24(40)38-22(16(3)4)25(41)36-20(6-5-9-34-27(31)32)23(39)26-33-10-11-43-26/h7-8,10-11,13,15-16,20-22H,5-6,9,12,14H2,1-4H3,(H,36,41)(H,38,40)(H4,31,32,34)(H2,35,37,42)/t20-,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12955 ((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C28H40Cl2N8O4S/c1-15(2)12-21(37-28(42)35-14-17-7-8-18(29)19(30)13-17)24(40)38-22(16(3)4)25(41)36-20(6-5-9-34-27(31)32)23(39)26-33-10-11-43-26/h7-8,10-11,13,15-16,20-22H,5-6,9,12,14H2,1-4H3,(H,36,41)(H,38,40)(H4,31,32,34)(H2,35,37,42)/t20-,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12956 ((2S,3R)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thi...) Show SMILES [#6]-[#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C29H42Cl2N8O4S/c1-5-17(4)23(26(42)37-21(7-6-10-35-28(32)33)24(40)27-34-11-12-44-27)39-25(41)22(13-16(2)3)38-29(43)36-15-18-8-9-19(30)20(31)14-18/h8-9,11-12,14,16-17,21-23H,5-7,10,13,15H2,1-4H3,(H,37,42)(H,39,41)(H4,32,33,35)(H2,36,38,43)/t17?,21-,22-,23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12946 ((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C31H38Cl2N8O4S/c1-18(2)25(28(44)39-23(9-6-12-37-30(34)35)26(42)29-36-13-14-46-29)41-27(43)24(16-19-7-4-3-5-8-19)40-31(45)38-17-20-10-11-21(32)22(33)15-20/h3-5,7-8,10-11,13-15,18,23-25H,6,9,12,16-17H2,1-2H3,(H,39,44)(H,41,43)(H4,34,35,37)(H2,38,40,45)/t23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12964 ((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C28H41FN8O4S/c1-16(2)14-21(36-28(41)34-15-18-7-9-19(29)10-8-18)24(39)37-22(17(3)4)25(40)35-20(6-5-11-33-27(30)31)23(38)26-32-12-13-42-26/h7-10,12-13,16-17,20-22H,5-6,11,14-15H2,1-4H3,(H,35,40)(H,37,39)(H4,30,31,33)(H2,34,36,41)/t20-,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50228760 ((S)-2-((R)-2-(3-chlorophenyl)-2-hydroxyacetamido)-...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#8])-c1cccc(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nccs1 Show InChI InChI=1S/C22H29ClN6O4S/c1-12(2)16(29-20(33)17(30)13-5-3-6-14(23)11-13)19(32)28-15(7-4-8-27-22(24)25)18(31)21-26-9-10-34-21/h3,5-6,9-12,15-17,30H,4,7-8H2,1-2H3,(H,28,32)(H,29,33)(H4,24,25,27)/t15-,16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories, LLC Curated by ChEMBL					Assay Description Inhibition of F11a				Bioorg Med Chem Lett 16: 3049-54 (2006) Article DOI: 10.1016/j.bmcl.2006.02.052 BindingDB Entry DOI: 10.7270/Q2X34X32
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12969 ((2S)-2-[(2S)-2-({[(1S)-1-(4-bromophenyl)ethyl]carb...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#7]-[#6@@H](-[#6])-c1ccc(Br)cc1)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C31H45BrN8O4S/c1-18(2)24(27(42)38-23(10-7-15-36-30(33)34)26(41)29-35-16-17-45-29)39-28(43)25(21-8-5-4-6-9-21)40-31(44)37-19(3)20-11-13-22(32)14-12-20/h11-14,16-19,21,23-25H,4-10,15H2,1-3H3,(H,38,42)(H,39,43)(H4,33,34,36)(H2,37,40,44)/t19-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12965 ((2S)-2-[(benzylcarbamoyl)amino]-N-[(1S)-1-{[(2S)-5...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C28H42N8O4S/c1-17(2)15-21(35-28(40)33-16-19-9-6-5-7-10-19)24(38)36-22(18(3)4)25(39)34-20(11-8-12-32-27(29)30)23(37)26-31-13-14-41-26/h5-7,9-10,13-14,17-18,20-22H,8,11-12,15-16H2,1-4H3,(H,34,39)(H,36,38)(H4,29,30,32)(H2,33,35,40)/t20-,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12948 ((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C31H39FN8O4S/c1-19(2)25(28(43)38-23(9-6-14-36-30(33)34)26(41)29-35-15-16-45-29)40-27(42)24(17-20-7-4-3-5-8-20)39-31(44)37-18-21-10-12-22(32)13-11-21/h3-5,7-8,10-13,15-16,19,23-25H,6,9,14,17-18H2,1-2H3,(H,38,43)(H,40,42)(H4,33,34,36)(H2,37,39,44)/t23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12957 ((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C32H40Cl2N8O5S/c1-18(2)14-25(42-32(47)39-17-20-7-10-22(33)23(34)15-20)28(45)41-26(16-19-5-8-21(43)9-6-19)29(46)40-24(4-3-11-38-31(35)36)27(44)30-37-12-13-48-30/h5-10,12-13,15,18,24-26,43H,3-4,11,14,16-17H2,1-2H3,(H,40,46)(H,41,45)(H4,35,36,38)(H2,39,42,47)/t24-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12973 ((2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}am...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C29H44BrN11O4S/c1-16(2)22(25(44)39-20(6-4-12-36-27(31)32)23(42)26-35-14-15-46-26)41-24(43)21(7-5-13-37-28(33)34)40-29(45)38-17(3)18-8-10-19(30)11-9-18/h8-11,14-17,20-22H,4-7,12-13H2,1-3H3,(H,39,44)(H,41,43)(H4,31,32,36)(H4,33,34,37)(H2,38,40,45)/t17-,20+,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50228761 ((S)-2-(2-(3-chlorophenyl)-2-oxoacetamido)-N-((S)-5...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6](=O)-c1cccc(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nccs1 Show InChI InChI=1S/C22H27ClN6O4S/c1-12(2)16(29-20(33)17(30)13-5-3-6-14(23)11-13)19(32)28-15(7-4-8-27-22(24)25)18(31)21-26-9-10-34-21/h3,5-6,9-12,15-16H,4,7-8H2,1-2H3,(H,28,32)(H,29,33)(H4,24,25,27)/t15-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	254	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories, LLC Curated by ChEMBL					Assay Description Inhibition of F11a				Bioorg Med Chem Lett 16: 3049-54 (2006) Article DOI: 10.1016/j.bmcl.2006.02.052 BindingDB Entry DOI: 10.7270/Q2X34X32
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12949 (alpha-ketothiazole analogue 9 | ethyl 2-({[(1S)-1-...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C35H46N8O6S/c1-4-49-33(47)27(21-24-14-9-6-10-15-24)42-35(48)41-26(20-23-12-7-5-8-13-23)30(45)43-28(22(2)3)31(46)40-25(16-11-17-39-34(36)37)29(44)32-38-18-19-50-32/h5-10,12-15,18-19,22,25-28H,4,11,16-17,20-21H2,1-3H3,(H,40,46)(H,43,45)(H4,36,37,39)(H2,41,42,48)/t25-,26-,27?,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	258	n/a	n/a	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12958 ((2S)-N-[(S)-{[(2S)-5-carbamimidamido-1-oxo-1-(1,3-...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C31H44Cl2N8O4S/c1-18(2)15-24(40-31(45)38-17-19-10-11-21(32)22(33)16-19)27(43)41-25(20-7-4-3-5-8-20)28(44)39-23(9-6-12-37-30(34)35)26(42)29-36-13-14-46-29/h10-11,13-14,16,18,20,23-25H,3-9,12,15,17H2,1-2H3,(H,39,44)(H,41,43)(H4,34,35,37)(H2,38,40,45)/t23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12966 (alpha-ketothiazole analogue 26 | benzyl N-[(1S)-1-...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#8]-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C28H41N7O5S/c1-17(2)15-21(34-28(39)40-16-19-9-6-5-7-10-19)24(37)35-22(18(3)4)25(38)33-20(11-8-12-32-27(29)30)23(36)26-31-13-14-41-26/h5-7,9-10,13-14,17-18,20-22H,8,11-12,15-16H2,1-4H3,(H,33,38)(H,34,39)(H,35,37)(H4,29,30,32)/t20-,21-,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	356	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12963 ((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)cc1Cl)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C28H40Cl2N8O4S/c1-15(2)12-21(37-28(42)35-14-17-7-8-18(29)13-19(17)30)24(40)38-22(16(3)4)25(41)36-20(6-5-9-34-27(31)32)23(39)26-33-10-11-43-26/h7-8,10-11,13,15-16,20-22H,5-6,9,12,14H2,1-4H3,(H,36,41)(H,38,40)(H4,31,32,34)(H2,35,37,42)/t20-,21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	386	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12974 ((2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}am...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C27H38BrN9O5S/c1-14(2)21(24(41)35-18(5-4-10-33-26(30)31)22(39)25-32-11-12-43-25)37-23(40)19(13-20(29)38)36-27(42)34-15(3)16-6-8-17(28)9-7-16/h6-9,11-12,14-15,18-19,21H,4-5,10,13H2,1-3H3,(H2,29,38)(H,35,41)(H,37,40)(H4,30,31,33)(H2,34,36,42)/t15-,18+,19+,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12950 (alpha-ketothiazole analogue 10 | ethyl 2-({[(1S)-1...) Show SMILES [#6]-[#6]-[#8]-[#6](=O)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C32H48N8O6S/c1-6-46-30(44)24(17-19(2)3)39-32(45)38-23(18-21-11-8-7-9-12-21)27(42)40-25(20(4)5)28(43)37-22(13-10-14-36-31(33)34)26(41)29-35-15-16-47-29/h7-9,11-12,15-16,19-20,22-25H,6,10,13-14,17-18H2,1-5H3,(H,37,43)(H,40,42)(H4,33,34,36)(H2,38,39,45)/t22-,23-,24?,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	403	n/a	n/a	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50183937 ((S)-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-but...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#8])-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nccs1 Show InChI InChI=1S/C22H30N6O4S/c1-13(2)16(28-20(32)17(29)14-7-4-3-5-8-14)19(31)27-15(9-6-10-26-22(23)24)18(30)21-25-11-12-33-21/h3-5,7-8,11-13,15-17,29H,6,9-10H2,1-2H3,(H,27,31)(H,28,32)(H4,23,24,26)/t15-,16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	425	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories, LLC Curated by ChEMBL					Assay Description Inhibition of F11a				Bioorg Med Chem Lett 16: 3049-54 (2006) Article DOI: 10.1016/j.bmcl.2006.02.052 BindingDB Entry DOI: 10.7270/Q2X34X32
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50183938 ((S)-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-but...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#8])-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nccs1 Show InChI InChI=1S/C22H30N6O4S/c1-13(2)16(28-20(32)17(29)14-7-4-3-5-8-14)19(31)27-15(9-6-10-26-22(23)24)18(30)21-25-11-12-33-21/h3-5,7-8,11-13,15-17,29H,6,9-10H2,1-2H3,(H,27,31)(H,28,32)(H4,23,24,26)/t15-,16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	431	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories, LLC Curated by ChEMBL					Assay Description Inhibition of F11a				Bioorg Med Chem Lett 16: 3049-54 (2006) Article DOI: 10.1016/j.bmcl.2006.02.052 BindingDB Entry DOI: 10.7270/Q2X34X32
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12973 ((2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}am...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C29H44BrN11O4S/c1-16(2)22(25(44)39-20(6-4-12-36-27(31)32)23(42)26-35-14-15-46-26)41-24(43)21(7-5-13-37-28(33)34)40-29(45)38-17(3)18-8-10-19(30)11-9-18/h8-11,14-17,20-22H,4-7,12-13H2,1-3H3,(H,39,44)(H,41,43)(H4,31,32,36)(H4,33,34,37)(H2,38,40,45)/t17-,20+,21+,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50228762 ((S)-2-[3-(3,4-dichloro-benzyl)-ureido]-N-[(S)-4-gu...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nccs1 Show InChI InChI=1S/C22H29Cl2N7O3S/c1-12(2)17(31-22(34)29-11-13-5-6-14(23)15(24)10-13)19(33)30-16(4-3-7-28-21(25)26)18(32)20-27-8-9-35-20/h5-6,8-10,12,16-17H,3-4,7,11H2,1-2H3,(H,30,33)(H4,25,26,28)(H2,29,31,34)/t16-,17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories, LLC Curated by ChEMBL					Assay Description Inhibition of F11a				Bioorg Med Chem Lett 16: 3049-54 (2006) Article DOI: 10.1016/j.bmcl.2006.02.052 BindingDB Entry DOI: 10.7270/Q2X34X32
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50228758 ((S)-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-but...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nccs1 Show InChI InChI=1S/C15H25N7O3S/c1-8(2)10(22-15(18)25)12(24)21-9(4-3-5-20-14(16)17)11(23)13-19-6-7-26-13/h6-10H,3-5H2,1-2H3,(H,21,24)(H4,16,17,20)(H3,18,22,25)/t9-,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	502	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories, LLC Curated by ChEMBL					Assay Description Inhibition of F11a				Bioorg Med Chem Lett 16: 3049-54 (2006) Article DOI: 10.1016/j.bmcl.2006.02.052 BindingDB Entry DOI: 10.7270/Q2X34X32
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12970 ((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C31H40FN9O4S/c1-18(2)25(28(44)39-23(7-5-13-37-30(33)34)26(42)29-36-14-15-46-29)41-27(43)24(16-20-6-4-12-35-17-20)40-31(45)38-19(3)21-8-10-22(32)11-9-21/h4,6,8-12,14-15,17-19,23-25H,5,7,13,16H2,1-3H3,(H,39,44)(H,41,43)(H4,33,34,37)(H2,38,40,45)/t19-,23+,24+,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	523	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12971 ((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#7]-[#6@@H](-[#6])-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C31H40FN9O4S/c1-18(2)25(28(44)39-23(7-5-13-37-30(33)34)26(42)29-36-14-15-46-29)41-27(43)24(16-20-6-4-12-35-17-20)40-31(45)38-19(3)21-8-10-22(32)11-9-21/h4,6,8-12,14-15,17-19,23-25H,5,7,13,16H2,1-3H3,(H,39,44)(H,41,43)(H4,33,34,37)(H2,38,40,45)/t19-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	533	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12971 ((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#7]-[#6@@H](-[#6])-c1ccc(F)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C31H40FN9O4S/c1-18(2)25(28(44)39-23(7-5-13-37-30(33)34)26(42)29-36-14-15-46-29)41-27(43)24(16-20-6-4-12-35-17-20)40-31(45)38-19(3)21-8-10-22(32)11-9-21/h4,6,8-12,14-15,17-19,23-25H,5,7,13,16H2,1-3H3,(H,39,44)(H,41,43)(H4,33,34,37)(H2,38,40,45)/t19-,23-,24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	606	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12975 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...) Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1 |r,wU:7.19,34.36,22.24,wD:3.3,(-2.47,-.39,;-1.14,.38,;.19,-.39,;-1.14,1.92,;-2.47,2.69,;-3.81,1.92,;-3.81,.38,;-5.14,2.69,;-5.14,4.23,;-5.54,5.72,;-4.62,6.96,;-5.52,8.21,;-6.99,7.75,;-8.31,8.53,;-9.65,7.77,;-9.67,6.23,;-8.34,5.45,;-7,6.21,;-6.47,1.92,;-7.81,2.69,;-7.81,4.23,;-9.14,1.92,;-10.48,2.69,;-10.48,4.23,;-11.81,1.92,;-13.14,2.69,;-14.48,1.92,;-14.48,.38,;-15.81,-.39,;-13.14,-.39,;-11.81,.38,;.19,2.69,;.19,4.23,;1.53,1.92,;2.86,2.69,;2.86,4.23,;4.19,5,;4.19,6.54,;2.86,7.31,;2.86,8.85,;4.19,9.62,;1.53,9.62,;4.19,1.92,;4.19,.38,;5.53,2.69,;7.07,2.69,;7.54,4.16,;6.3,5.06,;5.05,4.16,)| Show InChI InChI=1S/C34H42BrN9O4S/c1-19(2)28(31(47)42-26(9-6-14-39-33(36)37)29(45)32-38-15-16-49-32)44-30(46)27(17-22-18-40-25-8-5-4-7-24(22)25)43-34(48)41-20(3)21-10-12-23(35)13-11-21/h4-5,7-8,10-13,15-16,18-20,26-28,40H,6,9,14,17H2,1-3H3,(H,42,47)(H,44,46)(H4,36,37,39)(H2,41,43,48)/t20-,26+,27+,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12959 ((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C32H40Cl2N8O4S/c1-19(2)15-25(42-32(46)39-18-21-10-11-22(33)23(34)16-21)28(44)41-26(17-20-7-4-3-5-8-20)29(45)40-24(9-6-12-38-31(35)36)27(43)30-37-13-14-47-30/h3-5,7-8,10-11,13-14,16,19,24-26H,6,9,12,15,17-18H2,1-2H3,(H,40,45)(H,41,44)(H4,35,36,38)(H2,39,42,46)/t24-,25-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50183925 ((S)-N-[(S)-4-guanidino-1-(thiazole-2-carbonyl)-but...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#7]-[#6@@H]-1-[#6]-[#6@@H]2-[#6]-[#6@H](-[#6@H]-1-[#6])C2([#6])[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nccs1 Show InChI InChI=1S/C25H41N7O3S/c1-13(2)19(32-24(35)31-18-12-15-11-16(14(18)3)25(15,4)5)21(34)30-17(7-6-8-29-23(26)27)20(33)22-28-9-10-36-22/h9-10,13-19H,6-8,11-12H2,1-5H3,(H,30,34)(H4,26,27,29)(H2,31,32,35)/t14-,15+,16-,17+,18-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	713	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories, LLC Curated by ChEMBL					Assay Description Inhibition of F11a				Bioorg Med Chem Lett 16: 3049-54 (2006) Article DOI: 10.1016/j.bmcl.2006.02.052 BindingDB Entry DOI: 10.7270/Q2X34X32
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50183934 ((S)-2-[(R)-2-(2-chloro-phenyl)-2-hydroxy-acetylami...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#8])-c1ccccc1Cl)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nccs1 Show InChI InChI=1S/C22H29ClN6O4S/c1-12(2)16(29-20(33)17(30)13-6-3-4-7-14(13)23)19(32)28-15(8-5-9-27-22(24)25)18(31)21-26-10-11-34-21/h3-4,6-7,10-12,15-17,30H,5,8-9H2,1-2H3,(H,28,32)(H,29,33)(H4,24,25,27)/t15-,16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories, LLC Curated by ChEMBL					Assay Description Inhibition of F11a				Bioorg Med Chem Lett 16: 3049-54 (2006) Article DOI: 10.1016/j.bmcl.2006.02.052 BindingDB Entry DOI: 10.7270/Q2X34X32
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50228892 (4-methyl-pentanoic acid {(S)-1-[(S)-4-guanidino-1-...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nccs1 Show InChI InChI=1S/C20H34N6O3S/c1-12(2)7-8-15(27)26-16(13(3)4)18(29)25-14(6-5-9-24-20(21)22)17(28)19-23-10-11-30-19/h10-14,16H,5-9H2,1-4H3,(H,25,29)(H,26,27)(H4,21,22,24)/t14-,16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories, LLC Curated by ChEMBL					Assay Description Inhibition of F11a				Bioorg Med Chem Lett 16: 3049-54 (2006) Article DOI: 10.1016/j.bmcl.2006.02.052 BindingDB Entry DOI: 10.7270/Q2X34X32
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12955 ((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C28H40Cl2N8O4S/c1-15(2)12-21(37-28(42)35-14-17-7-8-18(29)19(30)13-17)24(40)38-22(16(3)4)25(41)36-20(6-5-9-34-27(31)32)23(39)26-33-10-11-43-26/h7-8,10-11,13,15-16,20-22H,5-6,9,12,14H2,1-4H3,(H,36,41)(H,38,40)(H4,31,32,34)(H2,35,37,42)/t20-,21-,22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	876	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM12960 ((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C26H36Cl2N8O4S/c1-14(2)11-20(36-26(40)33-13-16-6-7-17(27)18(28)12-16)23(39)34-15(3)22(38)35-19(5-4-8-32-25(29)30)21(37)24-31-9-10-41-24/h6-7,9-10,12,14-15,19-20H,4-5,8,11,13H2,1-3H3,(H,34,39)(H,35,38)(H4,29,30,32)(H2,33,36,40)/t15-,19-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12951 ((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#7]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C30H38N8O4S/c1-19(2)24(27(41)36-22(14-9-15-34-29(31)32)25(39)28-33-16-17-43-28)38-26(40)23(18-20-10-5-3-6-11-20)37-30(42)35-21-12-7-4-8-13-21/h3-8,10-13,16-17,19,22-24H,9,14-15,18H2,1-2H3,(H,36,41)(H,38,40)(H4,31,32,34)(H2,35,37,42)/t22-,23-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	935	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50183924 ((S)-2-[(R)-2-(3-fluoro-phenyl)-2-hydroxy-acetylami...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#8])-c1cccc(F)c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nccs1 Show InChI InChI=1S/C22H29FN6O4S/c1-12(2)16(29-20(33)17(30)13-5-3-6-14(23)11-13)19(32)28-15(7-4-8-27-22(24)25)18(31)21-26-9-10-34-21/h3,5-6,9-12,15-17,30H,4,7-8H2,1-2H3,(H,28,32)(H,29,33)(H4,24,25,27)/t15-,16-,17+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	956	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories, LLC Curated by ChEMBL					Assay Description Inhibition of F11a				Bioorg Med Chem Lett 16: 3049-54 (2006) Article DOI: 10.1016/j.bmcl.2006.02.052 BindingDB Entry DOI: 10.7270/Q2X34X32
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12968 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C31H45BrN8O4S/c1-18(2)24(27(42)38-23(10-7-15-36-30(33)34)26(41)29-35-16-17-45-29)39-28(43)25(21-8-5-4-6-9-21)40-31(44)37-19(3)20-11-13-22(32)14-12-20/h11-14,16-19,21,23-25H,4-10,15H2,1-3H3,(H,38,42)(H,39,43)(H4,33,34,36)(H2,37,40,44)/t19-,23+,24+,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	976	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12957 ((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#7]-[#6]-c1ccc(Cl)c(Cl)c1)-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C32H40Cl2N8O5S/c1-18(2)14-25(42-32(47)39-17-20-7-10-22(33)23(34)15-20)28(45)41-26(16-19-5-8-21(43)9-6-19)29(46)40-24(4-3-11-38-31(35)36)27(44)30-37-12-13-48-30/h5-10,12-13,15,18,24-26,43H,3-4,11,14,16-17H2,1-2H3,(H,40,46)(H,41,45)(H4,35,36,38)(H2,39,42,47)/t24-,25-,26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12976 ((2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}am...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C29H43BrN10O5S/c1-16(2)22(25(43)38-20(6-4-12-35-27(31)32)23(41)26-34-14-15-46-26)40-24(42)21(7-5-13-36-28(33)44)39-29(45)37-17(3)18-8-10-19(30)11-9-18/h8-11,14-17,20-22H,4-7,12-13H2,1-3H3,(H,38,43)(H,40,42)(H4,31,32,35)(H3,33,36,44)(H2,37,39,45)/t17-,20+,21+,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50183946 ((S)-2-{3-[(R)-1-(4-bromo-phenyl)-ethyl]-ureido}-N-...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-c1nccs1 Show InChI InChI=1S/C23H32BrN7O3S/c1-13(2)18(31-23(34)29-14(3)15-6-8-16(24)9-7-15)20(33)30-17(5-4-10-28-22(25)26)19(32)21-27-11-12-35-21/h6-9,11-14,17-18H,4-5,10H2,1-3H3,(H,30,33)(H4,25,26,28)(H2,29,31,34)/t14-,17+,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories, LLC Curated by ChEMBL					Assay Description Inhibition of F11a				Bioorg Med Chem Lett 16: 3049-54 (2006) Article DOI: 10.1016/j.bmcl.2006.02.052 BindingDB Entry DOI: 10.7270/Q2X34X32
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM12977 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C31H40BrN9O4S/c1-18(2)25(28(44)39-23(7-5-13-37-30(33)34)26(42)29-36-14-15-46-29)41-27(43)24(16-20-6-4-12-35-17-20)40-31(45)38-19(3)21-8-10-22(32)11-9-21/h4,6,8-12,14-15,17-19,23-25H,5,7,13,16H2,1-3H3,(H,39,44)(H,41,43)(H4,33,34,37)(H2,38,40,45)/t19-,23+,24+,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12977 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccnc1)-[#7]-[#6](=O)-[#7]-[#6@H](-[#6])-c1ccc(Br)cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-c1nccs1 |r| Show InChI InChI=1S/C31H40BrN9O4S/c1-18(2)25(28(44)39-23(7-5-13-37-30(33)34)26(42)29-36-14-15-46-29)41-27(43)24(16-20-6-4-12-35-17-20)40-31(45)38-19(3)21-8-10-22(32)11-9-21/h4,6,8-12,14-15,17-19,23-25H,5,7,13,16H2,1-3H3,(H,39,44)(H,41,43)(H4,33,34,37)(H2,38,40,45)/t19-,23+,24+,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					Assay Description Enzyme peptidolytic activities were measured using a fluorogenic reporter group, 7-amido-4-methylcoumarin (AMC). Released AMC was measured at an emis...				J Med Chem 49: 7781-91 (2006) Article DOI: 10.1021/jm060978s BindingDB Entry DOI: 10.7270/Q2SJ1HTM
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 107 total )  |  Next  |  Last  >>

Jump to: