Compile Data Set for Download or QSAR

Found 54 hits with Last Name = 'silva-garcia' and Initial = 'a'   

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
Plasma kallikrein (Homo sapiens (Human))	BDBM50210127 (CHEMBL3884851) Show SMILES Cc1nc(N)cc2OCC\C=C\CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:10| Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasma kallikrein (Homo sapiens (Human))	BDBM50210072 (CHEMBL3884830) Show SMILES Cc1nc(N)ccc1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1 Show InChI InChI=1S/C22H23N7O/c1-16-19(7-8-21(23)27-16)11-24-22(30)20-12-26-29(15-20)14-18-5-3-17(4-6-18)13-28-10-2-9-25-28/h2-10,12,15H,11,13-14H2,1H3,(H2,23,27)(H,24,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50210075 (CHEMBL3883788) Show SMILES Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US11739089, Compound Ketoconazole | US8987315, Ket...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using in human liver microsomes using testosterone as substrate after 5 to 15 mins				ACS Med Chem Lett 8: 321-326 (2017) Article DOI: 10.1021/acsmedchemlett.6b00491 BindingDB Entry DOI: 10.7270/Q21J9D2Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM151585 (US11739089, Compound Ketoconazole | US8987315, Ket...) Show SMILES CC(=O)N1CCN(CC1)c1ccc(OCC2COC(Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using in human liver microsomes using midazolam as substrate after 5 to 15 mins				ACS Med Chem Lett 8: 321-326 (2017) Article DOI: 10.1021/acsmedchemlett.6b00491 BindingDB Entry DOI: 10.7270/Q21J9D2Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate after 5 to 15 mins				ACS Med Chem Lett 8: 321-326 (2017) Article DOI: 10.1021/acsmedchemlett.6b00491 BindingDB Entry DOI: 10.7270/Q21J9D2Q
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasma kallikrein (Homo sapiens (Human))	BDBM50210073 (CHEMBL3883461) Show SMILES Cc1nc(N)cc2OCC\C=C/CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |c:10| Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50210074 (CHEMBL3883423) Show SMILES Cc1nc(N)cc2OCCC\C=C\CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:11| Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2-3,7-11,14-16,20H,4-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b3-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50090677 (4-Amino-N-(2-phenyl-2H-pyrazol-3-yl)-benzenesulfon...) Show SMILES Nc1ccc(cc1)S(=O)(=O)Nc1ccnn1-c1ccccc1 Show InChI InChI=1S/C15H14N4O2S/c16-12-6-8-14(9-7-12)22(20,21)18-15-10-11-17-19(15)13-4-2-1-3-5-13/h1-11,18H,16H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 5 to 15 mins				ACS Med Chem Lett 8: 321-326 (2017) Article DOI: 10.1021/acsmedchemlett.6b00491 BindingDB Entry DOI: 10.7270/Q21J9D2Q
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 5 to 15 mins				ACS Med Chem Lett 8: 321-326 (2017) Article DOI: 10.1021/acsmedchemlett.6b00491 BindingDB Entry DOI: 10.7270/Q21J9D2Q
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50210129 (CHEMBL3885334) Show SMILES Cc1nc(N)cc2OCC\C=C\CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:10| Show InChI InChI=1S/C28H31N7O3/c1-20-24-16-30-28(36)23-15-32-35(19-23)18-22-8-7-21(17-34-10-6-9-31-34)13-25(22)37-11-4-2-3-5-12-38-26(24)14-27(29)33-20/h2-3,6-10,13-15,19H,4-5,11-12,16-18H2,1H3,(H2,29,33)(H,30,36)/b3-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50210130 (CHEMBL3885037) Show SMILES Cc1nc(N)cc2OCC\C=C/CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |c:10| Show InChI InChI=1S/C28H31N7O3/c1-20-24-16-30-28(36)23-15-32-35(19-23)18-22-8-7-21(17-34-10-6-9-31-34)13-25(22)37-11-4-2-3-5-12-38-26(24)14-27(29)33-20/h2-3,6-10,13-15,19H,4-5,11-12,16-18H2,1H3,(H2,29,33)(H,30,36)/b3-2-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50210127 (CHEMBL3884851) Show SMILES Cc1nc(N)cc2OCC\C=C\CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:10| Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of factor 11a (unknown origin) using S-2366 as substrate incubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50236897 (3-(furan-2-ylmethyl)-1,8-dimethyl-1H-purine-2,6(3H...) Show SMILES Cc1nc2n(Cc3ccco3)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C12H12N4O3/c1-7-13-9-10(14-7)16(6-8-4-3-5-19-8)12(18)15(2)11(9)17/h3-5H,6H2,1-2H3,(H,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 5 to 15 mins				ACS Med Chem Lett 8: 321-326 (2017) Article DOI: 10.1021/acsmedchemlett.6b00491 BindingDB Entry DOI: 10.7270/Q21J9D2Q
					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50235297 (CHEMBL4101807) Show SMILES CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O Show InChI InChI=1S/C19H19N3O3/c1-13(2)22-16(8-10-21-22)19-14(5-4-9-20-19)12-25-18-7-3-6-17(24)15(18)11-23/h3-11,13,24H,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C8 in human liver microsomes using paclitaxel as substrate after 5 to 15 mins				ACS Med Chem Lett 8: 321-326 (2017) Article DOI: 10.1021/acsmedchemlett.6b00491 BindingDB Entry DOI: 10.7270/Q21J9D2Q
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50210076 (CHEMBL3884030) Show SMILES Cc1nc(N)cc2OCCCCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 Show InChI InChI=1S/C28H33N7O3/c1-20-24-16-30-28(36)23-15-32-35(19-23)18-22-8-7-21(17-34-10-6-9-31-34)13-25(22)37-11-4-2-3-5-12-38-26(24)14-27(29)33-20/h6-10,13-15,19H,2-5,11-12,16-18H2,1H3,(H2,29,33)(H,30,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50235297 (CHEMBL4101807) Show SMILES CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O Show InChI InChI=1S/C19H19N3O3/c1-13(2)22-16(8-10-21-22)19-14(5-4-9-20-19)12-25-18-7-3-6-17(24)15(18)11-23/h3-11,13,24H,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C9 in human liver microsomes using tolbutamide as substrate after 5 to 15 mins				ACS Med Chem Lett 8: 321-326 (2017) Article DOI: 10.1021/acsmedchemlett.6b00491 BindingDB Entry DOI: 10.7270/Q21J9D2Q
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50210074 (CHEMBL3883423) Show SMILES Cc1nc(N)cc2OCCC\C=C\CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:11| Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2-3,7-11,14-16,20H,4-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b3-2+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of Lys-plasmin (unknown origin) using Tosyl-Gly-Pro-Lys-4-nitranilide as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50240772 ((1R,2S)-(-)-2-phenylcyclopropylamine | (1R,2S)-2-p...) Show SMILES N[C@@H]1C[C@H]1c1ccccc1 |r| Show InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.03E+4	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using S-Mephentoin as substrate after 5 to 15 mins				ACS Med Chem Lett 8: 321-326 (2017) Article DOI: 10.1021/acsmedchemlett.6b00491 BindingDB Entry DOI: 10.7270/Q21J9D2Q
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50210075 (CHEMBL3883788) Show SMILES Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.17E+4	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of factor 11a (unknown origin) using S-2366 as substrate incubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50235297 (CHEMBL4101807) Show SMILES CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O Show InChI InChI=1S/C19H19N3O3/c1-13(2)22-16(8-10-21-22)19-14(5-4-9-20-19)12-25-18-7-3-6-17(24)15(18)11-23/h3-11,13,24H,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using in human liver microsomes using testosterone as substrate after 5 to 15 mins				ACS Med Chem Lett 8: 321-326 (2017) Article DOI: 10.1021/acsmedchemlett.6b00491 BindingDB Entry DOI: 10.7270/Q21J9D2Q
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50210074 (CHEMBL3883423) Show SMILES Cc1nc(N)cc2OCCC\C=C\CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:11| Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2-3,7-11,14-16,20H,4-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b3-2+	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	1.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of factor 11a (unknown origin) using S-2366 as substrate incubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50235297 (CHEMBL4101807) Show SMILES CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O Show InChI InChI=1S/C19H19N3O3/c1-13(2)22-16(8-10-21-22)19-14(5-4-9-20-19)12-25-18-7-3-6-17(24)15(18)11-23/h3-11,13,24H,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2C19 in human liver microsomes using S-Mephentoin as substrate after 5 to 15 mins				ACS Med Chem Lett 8: 321-326 (2017) Article DOI: 10.1021/acsmedchemlett.6b00491 BindingDB Entry DOI: 10.7270/Q21J9D2Q
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50210075 (CHEMBL3883788) Show SMILES Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of Lys-plasmin (unknown origin) using Tosyl-Gly-Pro-Lys-4-nitranilide as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50210073 (CHEMBL3883461) Show SMILES Cc1nc(N)cc2OCC\C=C/CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |c:10| Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2-	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	4.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of factor 11a (unknown origin) using S-2366 as substrate incubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM50210077 (CHEMBL3883550) Show SMILES Cc1cc(N)nc2OCC\C=C\CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:10| Show InChI InChI=1S/C28H31N7O3/c1-20-13-26(29)33-28-24(20)16-30-27(36)23-15-32-35(19-23)18-22-8-7-21(17-34-10-6-9-31-34)14-25(22)37-11-4-2-3-5-12-38-28/h2-3,6-10,13-15,19H,4-5,11-12,16-18H2,1H3,(H2,29,33)(H,30,36)/b3-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of human plasma kallikrein using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Cytochrome P450 1A2 (Homo sapiens (Human))	BDBM50235297 (CHEMBL4101807) Show SMILES CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O Show InChI InChI=1S/C19H19N3O3/c1-13(2)22-16(8-10-21-22)19-14(5-4-9-20-19)12-25-18-7-3-6-17(24)15(18)11-23/h3-11,13,24H,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.86E+4	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate after 5 to 15 mins				ACS Med Chem Lett 8: 321-326 (2017) Article DOI: 10.1021/acsmedchemlett.6b00491 BindingDB Entry DOI: 10.7270/Q21J9D2Q
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50235297 (CHEMBL4101807) Show SMILES CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O Show InChI InChI=1S/C19H19N3O3/c1-13(2)22-16(8-10-21-22)19-14(5-4-9-20-19)12-25-18-7-3-6-17(24)15(18)11-23/h3-11,13,24H,12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.19E+4	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4 using in human liver microsomes using midazolam as substrate after 5 to 15 mins				ACS Med Chem Lett 8: 321-326 (2017) Article DOI: 10.1021/acsmedchemlett.6b00491 BindingDB Entry DOI: 10.7270/Q21J9D2Q
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM50210072 (CHEMBL3884830) Show SMILES Cc1nc(N)ccc1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1 Show InChI InChI=1S/C22H23N7O/c1-16-19(7-8-21(23)27-16)11-24-22(30)20-12-26-29(15-20)14-18-5-3-17(4-6-18)13-28-10-2-9-25-28/h2-10,12,15H,11,13-14H2,1H3,(H2,23,27)(H,24,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.06E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of factor 11a (unknown origin) using S-2366 as substrate incubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50235297 (CHEMBL4101807) Show SMILES CC(C)n1nccc1-c1ncccc1COc1cccc(O)c1C=O Show InChI InChI=1S/C19H19N3O3/c1-13(2)22-16(8-10-21-22)19-14(5-4-9-20-19)12-25-18-7-3-6-17(24)15(18)11-23/h3-11,13,24H,12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP2D6 in human liver microsomes using bufuralol as substrate after 5 to 15 mins				ACS Med Chem Lett 8: 321-326 (2017) Article DOI: 10.1021/acsmedchemlett.6b00491 BindingDB Entry DOI: 10.7270/Q21J9D2Q
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50210073 (CHEMBL3883461) Show SMILES Cc1nc(N)cc2OCC\C=C/CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |c:10| Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of tPA (unknown origin) using Methylsulfonyl-D-Phe-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Coagulation factor XII (Homo sapiens (Human))	BDBM50210074 (CHEMBL3883423) Show SMILES Cc1nc(N)cc2OCCC\C=C\CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:11| Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2-3,7-11,14-16,20H,4-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b3-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of factor 12a (unknown origin) using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50210074 (CHEMBL3883423) Show SMILES Cc1nc(N)cc2OCCC\C=C\CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:11| Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2-3,7-11,14-16,20H,4-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b3-2+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of tPA (unknown origin) using Methylsulfonyl-D-Phe-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50210127 (CHEMBL3884851) Show SMILES Cc1nc(N)cc2OCC\C=C\CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:10| Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of Lys-plasmin (unknown origin) using Tosyl-Gly-Pro-Lys-4-nitranilide as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50210075 (CHEMBL3883788) Show SMILES Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of factor 10a (unknown origin) using N-Z-D-Arg-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Coagulation factor XII (Homo sapiens (Human))	BDBM50210075 (CHEMBL3883788) Show SMILES Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of factor 12a (unknown origin) using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50210075 (CHEMBL3883788) Show SMILES Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of tPA (unknown origin) using Methylsulfonyl-D-Phe-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50210075 (CHEMBL3883788) Show SMILES Cc1nc(N)cc2OCCC=CCCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of alpha-thrombin (unknown origin) using D-Phe-Pip-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50210073 (CHEMBL3883461) Show SMILES Cc1nc(N)cc2OCC\C=C/CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |c:10| Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2-	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	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of factor 10a (unknown origin) using N-Z-D-Arg-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50210127 (CHEMBL3884851) Show SMILES Cc1nc(N)cc2OCC\C=C\CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:10| Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of alpha-thrombin (unknown origin) using D-Phe-Pip-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50210127 (CHEMBL3884851) Show SMILES Cc1nc(N)cc2OCC\C=C\CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:10| Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of factor 10a (unknown origin) using N-Z-D-Arg-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50210073 (CHEMBL3883461) Show SMILES Cc1nc(N)cc2OCC\C=C/CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |c:10| Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of alpha-thrombin (unknown origin) using D-Phe-Pip-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Coagulation factor XII (Homo sapiens (Human))	BDBM50210073 (CHEMBL3883461) Show SMILES Cc1nc(N)cc2OCC\C=C/CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |c:10| Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of factor 12a (unknown origin) using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50210127 (CHEMBL3884851) Show SMILES Cc1nc(N)cc2OCC\C=C\CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:10| Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of tPA (unknown origin) using Methylsulfonyl-D-Phe-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Coagulation factor XII (Homo sapiens (Human))	BDBM50210127 (CHEMBL3884851) Show SMILES Cc1nc(N)cc2OCC\C=C\CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:10| Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of factor 12a (unknown origin) using D-Pro-Phe-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50210074 (CHEMBL3883423) Show SMILES Cc1nc(N)cc2OCCC\C=C\CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:11| Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2-3,7-11,14-16,20H,4-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b3-2+	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	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of factor 10a (unknown origin) using N-Z-D-Arg-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50210073 (CHEMBL3883461) Show SMILES Cc1nc(N)cc2OCC\C=C/CCCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |c:10| Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2,4,7-11,14-16,20H,3,5-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b4-2-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of Lys-plasmin (unknown origin) using Tosyl-Gly-Pro-Lys-4-nitranilide as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50210074 (CHEMBL3883423) Show SMILES Cc1nc(N)cc2OCCC\C=C\CCOc3cc(Cn4cccn4)ccc3Cn3cc(cn3)C(=O)NCc12 |t:11| Show InChI InChI=1S/C29H33N7O3/c1-21-25-17-31-29(37)24-16-33-36(20-24)19-23-9-8-22(18-35-11-7-10-32-35)14-26(23)38-12-5-3-2-4-6-13-39-27(25)15-28(30)34-21/h2-3,7-11,14-16,20H,4-6,12-13,17-19H2,1H3,(H2,30,34)(H,31,37)/b3-2+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of alpha-thrombin (unknown origin) using D-Phe-Pip-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50210072 (CHEMBL3884830) Show SMILES Cc1nc(N)ccc1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1 Show InChI InChI=1S/C22H23N7O/c1-16-19(7-8-21(23)27-16)11-24-22(30)20-12-26-29(15-20)14-18-5-3-17(4-6-18)13-28-10-2-9-25-28/h2-10,12,15H,11,13-14H2,1H3,(H2,23,27)(H,24,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of alpha-thrombin (unknown origin) using D-Phe-Pip-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50210072 (CHEMBL3884830) Show SMILES Cc1nc(N)ccc1CNC(=O)c1cnn(Cc2ccc(Cn3cccn3)cc2)c1 Show InChI InChI=1S/C22H23N7O/c1-16-19(7-8-21(23)27-16)11-24-22(30)20-12-26-29(15-20)14-18-5-3-17(4-6-18)13-28-10-2-9-25-28/h2-10,12,15H,11,13-14H2,1H3,(H2,23,27)(H,24,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Global Blood Therapeutics Curated by ChEMBL					Assay Description Inhibition of tPA (unknown origin) using Methylsulfonyl-D-Phe-Gly-Arg-pNA as substrate preincubated for 30 mins followed by substrate addition				ACS Med Chem Lett 8: 185-190 (2017) Article DOI: 10.1021/acsmedchemlett.6b00384 BindingDB Entry DOI: 10.7270/Q2DB83V8
					More data for this Ligand-Target Pair

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