Compile Data Set for Download or QSAR

Found 243 hits with Last Name = 'obst-sander' and Initial = 'u'   

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 VII (Homo sapiens (Human))	BDBM13554 ((2S)-2-{2-[2-(benzenesulfonyl)-4-(benzyloxy)-5-met...) Show SMILES COc1cc(C(Nc2ccc(cc2)C(N)=N)C(=O)N[C@H](C(O)=O)c2ccccc2)c(cc1OCc1ccccc1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C37H34N4O7S/c1-47-30-21-29(32(49(45,46)28-15-9-4-10-16-28)22-31(30)48-23-24-11-5-2-6-12-24)34(40-27-19-17-26(18-20-27)35(38)39)36(42)41-33(37(43)44)25-13-7-3-8-14-25/h2-22,33-34,40H,23H2,1H3,(H3,38,39)(H,41,42)(H,43,44)/t33-,34?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	-49.2	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13552 ((2S)-2-[(2R)-2-[4-(benzyloxy)-3-methoxyphenyl]-2-[...) Show SMILES COc1cc(ccc1OCc1ccccc1)[C@@H](Nc1ccc(cc1)C(N)=N)C(=O)N[C@H](C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H30N4O5/c1-39-26-18-23(14-17-25(26)40-19-20-8-4-2-5-9-20)27(34-24-15-12-22(13-16-24)29(32)33)30(36)35-28(31(37)38)21-10-6-3-7-11-21/h2-18,27-28,34H,19H2,1H3,(H3,32,33)(H,35,36)(H,37,38)/t27-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	4	-47.5	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor VII (Homo sapiens (Human))	BDBM13555 ((2S)-2-{2-[4-(benzyloxy)-5-methoxy-2-(2-phenylacet...) Show SMILES COc1cc(C(Nc2ccc(cc2)C(N)=N)C(=O)N[C@H](C(O)=O)c2ccccc2)c(cc1OCc1ccccc1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C39H36N4O6/c1-48-33-23-31(30(32(44)21-25-11-5-2-6-12-25)22-34(33)49-24-26-13-7-3-8-14-26)36(42-29-19-17-28(18-20-29)37(40)41)38(45)43-35(39(46)47)27-15-9-4-10-16-27/h2-20,22-23,35-36,42H,21,24H2,1H3,(H3,40,41)(H,43,45)(H,46,47)/t35-,36?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7	-46.1	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50197090 (CHEMBL3970105) Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3n[nH]c(=S)o3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C22H19ClN4OS/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(29)28-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13592 (2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxyp...) Show SMILES COc1ccc(-c2ccc(cc2C(O)=O)C(=O)N[C@H](CO)C(C)(C)C)c(n1)C(=O)Nc1ccc(cc1)C(N)=N |r| Show InChI InChI=1S/C28H31N5O6/c1-28(2,3)21(14-34)32-25(35)16-7-10-18(20(13-16)27(37)38)19-11-12-22(39-4)33-23(19)26(36)31-17-8-5-15(6-9-17)24(29)30/h5-13,21,34H,14H2,1-4H3,(H3,29,30)(H,31,36)(H,32,35)(H,37,38)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	10	-45.2	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50197093 (CHEMBL3959018) Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3nnn[nH]3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C21H19ClN6/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20-24-26-27-25-20)21(23-17)28-11-5-2-6-12-28/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50197092 (CHEMBL3947458) Show SMILES CC(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(O)=O Show InChI InChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50197087 (CHEMBL3950316) Show SMILES Cc1cc(Cl)cc2c(-c3ccccc3)c(C(O)=O)c(nc12)N1CCCCC1 Show InChI InChI=1S/C22H21ClN2O2/c1-14-12-16(23)13-17-18(15-8-4-2-5-9-15)19(22(26)27)21(24-20(14)17)25-10-6-3-7-11-25/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50197088 (CHEMBL3979347) Show SMILES CC(C)c1cccc(c1)-c1c(C(O)=O)c(nc2ccc(Cl)cc12)N(C)C Show InChI InChI=1S/C21H21ClN2O2/c1-12(2)13-6-5-7-14(10-13)18-16-11-15(22)8-9-17(16)23-20(24(3)4)19(18)21(25)26/h5-12H,1-4H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50197086 (CHEMBL3971182) Show SMILES OC(=O)c1c(nc2c(Cl)cc(Cl)cc2c1-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H18Cl2N2O2/c22-14-11-15-17(13-7-3-1-4-8-13)18(21(26)27)20(24-19(15)16(23)12-14)25-9-5-2-6-10-25/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50197089 (CHEMBL3889982) Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3n[nH]c(=O)o3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C22H19ClN4O2/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(28)29-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50197094 (CHEMBL3941588) Show SMILES OC(=O)c1c(nc2ccc(Cl)cc2c1-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H19ClN2O2/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21(25)26)20(23-17)24-11-5-2-6-12-24/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor VII (Homo sapiens (Human))	BDBM13557 (2-[4-(benzyloxy)-3-ethoxyphenyl]-2-[(4-carbamimido...) Show SMILES CCOc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O Show InChI InChI=1S/C24H25N3O4/c1-2-30-21-14-18(10-13-20(21)31-15-16-6-4-3-5-7-16)22(24(28)29)27-19-11-8-17(9-12-19)23(25)26/h3-14,22,27H,2,15H2,1H3,(H3,25,26)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	28	-42.7	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM13552 ((2S)-2-[(2R)-2-[4-(benzyloxy)-3-methoxyphenyl]-2-[...) Show SMILES COc1cc(ccc1OCc1ccccc1)[C@@H](Nc1ccc(cc1)C(N)=N)C(=O)N[C@H](C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H30N4O5/c1-39-26-18-23(14-17-25(26)40-19-20-8-4-2-5-9-20)27(34-24-15-12-22(13-16-24)29(32)33)30(36)35-28(31(37)38)21-10-6-3-7-11-21/h2-18,27-28,34H,19H2,1H3,(H3,32,33)(H,35,36)(H,37,38)/t27-,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13591 ((2R)-2-[(4-carbamimidoylphenyl)amino]-2-{5-ethoxy-...) Show SMILES CCOc1cc(O[C@H]2CCOC2)c(F)c(c1)[C@@H](Nc1ccc(cc1)C(N)=N)C(O)=O |r| Show InChI InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)/t14-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	35	-42.1	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13562 (2-[(4-carbamimidoylphenyl)amino]-2-[3-ethynyl-5-(o...) Show SMILES NC(=N)c1ccc(NC(C(O)=O)c2cc(OC3CCOCC3)cc(c2)C#C)cc1 Show InChI InChI=1S/C22H23N3O4/c1-2-14-11-16(13-19(12-14)29-18-7-9-28-10-8-18)20(22(26)27)25-17-5-3-15(4-6-17)21(23)24/h1,3-6,11-13,18,20,25H,7-10H2,(H3,23,24)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	38	-41.9	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM13552 ((2S)-2-[(2R)-2-[4-(benzyloxy)-3-methoxyphenyl]-2-[...) Show SMILES COc1cc(ccc1OCc1ccccc1)[C@@H](Nc1ccc(cc1)C(N)=N)C(=O)N[C@H](C(O)=O)c1ccccc1 |r| Show InChI InChI=1S/C31H30N4O5/c1-39-26-18-23(14-17-25(26)40-19-20-8-4-2-5-9-20)27(34-24-15-12-22(13-16-24)29(32)33)30(36)35-28(31(37)38)21-10-6-3-7-11-21/h2-18,27-28,34H,19H2,1H3,(H3,32,33)(H,35,36)(H,37,38)/t27-,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM13554 ((2S)-2-{2-[2-(benzenesulfonyl)-4-(benzyloxy)-5-met...) Show SMILES COc1cc(C(Nc2ccc(cc2)C(N)=N)C(=O)N[C@H](C(O)=O)c2ccccc2)c(cc1OCc1ccccc1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C37H34N4O7S/c1-47-30-21-29(32(49(45,46)28-15-9-4-10-16-28)22-31(30)48-23-24-11-5-2-6-12-24)34(40-27-19-17-26(18-20-27)35(38)39)36(42)41-33(37(43)44)25-13-7-3-8-14-25/h2-22,33-34,40H,23H2,1H3,(H3,38,39)(H,41,42)(H,43,44)/t33-,34?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13560 (2-[(4-carbamimidoylphenyl)amino]-2-[3-ethyl-5-(oxa...) Show SMILES CCc1cc(OC2CCOCC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O Show InChI InChI=1S/C22H27N3O4/c1-2-14-11-16(13-19(12-14)29-18-7-9-28-10-8-18)20(22(26)27)25-17-5-3-15(4-6-17)21(23)24/h3-6,11-13,18,20,25H,2,7-10H2,1H3,(H3,23,24)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	60	-40.8	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13556 (2-[4-(benzyloxy)-3-methoxyphenyl]-2-[(4-carbamimid...) Show SMILES COc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O Show InChI InChI=1S/C23H23N3O4/c1-29-20-13-17(9-12-19(20)30-14-15-5-3-2-4-6-15)21(23(27)28)26-18-10-7-16(8-11-18)22(24)25/h2-13,21,26H,14H2,1H3,(H3,24,25)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	61	-40.8	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13567 (2-[(4-carbamimidoylphenyl)amino]-2-{3-ethynyl-5-[(...) Show SMILES NC(=N)c1ccc(NC(C(O)=O)c2cc(O[C@H]3CCOC3)cc(c2)C#C)cc1 |r| Show InChI InChI=1S/C21H21N3O4/c1-2-13-9-15(11-18(10-13)28-17-7-8-27-12-17)19(21(25)26)24-16-5-3-14(4-6-16)20(22)23/h1,3-6,9-11,17,19,24H,7-8,12H2,(H3,22,23)(H,25,26)/t17-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	65	-40.6	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13561 (2-[(4-carbamimidoylphenyl)amino]-2-[3-ethenyl-5-(o...) Show SMILES NC(=N)c1ccc(NC(C(O)=O)c2cc(OC3CCOCC3)cc(C=C)c2)cc1 Show InChI InChI=1S/C22H25N3O4/c1-2-14-11-16(13-19(12-14)29-18-7-9-28-10-8-18)20(22(26)27)25-17-5-3-15(4-6-17)21(23)24/h2-6,11-13,18,20,25H,1,7-10H2,(H3,23,24)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	69	-40.5	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM13556 (2-[4-(benzyloxy)-3-methoxyphenyl]-2-[(4-carbamimid...) Show SMILES COc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O Show InChI InChI=1S/C23H23N3O4/c1-29-20-13-17(9-12-19(20)30-14-15-5-3-2-4-6-15)21(23(27)28)26-18-10-7-16(8-11-18)22(24)25/h2-13,21,26H,14H2,1H3,(H3,24,25)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM13555 ((2S)-2-{2-[4-(benzyloxy)-5-methoxy-2-(2-phenylacet...) Show SMILES COc1cc(C(Nc2ccc(cc2)C(N)=N)C(=O)N[C@H](C(O)=O)c2ccccc2)c(cc1OCc1ccccc1)C(=O)Cc1ccccc1 |r| Show InChI InChI=1S/C39H36N4O6/c1-48-33-23-31(30(32(44)21-25-11-5-2-6-12-25)22-34(33)49-24-26-13-7-3-8-14-26)36(42-29-19-17-28(18-20-29)37(40)41)38(45)43-35(39(46)47)27-15-9-4-10-16-27/h2-20,22-23,35-36,42H,21,24H2,1H3,(H3,40,41)(H,43,45)(H,46,47)/t35-,36?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13590 ((2R)-2-[(4-carbamimidoylphenyl)amino]-2-{5-ethoxy-...) Show SMILES CCOc1cc(O[C@@H]2CCOC2)c(F)c(c1)[C@@H](Nc1ccc(cc1)C(N)=N)C(O)=O |r| Show InChI InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)/t14-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	PDB Article PubMed	81	-40.1	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM13557 (2-[4-(benzyloxy)-3-ethoxyphenyl]-2-[(4-carbamimido...) Show SMILES CCOc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O Show InChI InChI=1S/C24H25N3O4/c1-2-30-21-14-18(10-13-20(21)31-15-16-6-4-3-5-7-16)22(24(28)29)27-19-11-8-17(9-12-19)23(25)26/h3-14,22,27H,2,15H2,1H3,(H3,25,26)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50197093 (CHEMBL3959018) Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3nnn[nH]3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C21H19ClN6/c22-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(20-24-26-27-25-20)21(23-17)28-11-5-2-6-12-28/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,24,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	86	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b...				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor VII (Homo sapiens (Human))	BDBM13589 ((4-carbamimidoyl-phenylamino)-[3-ethoxy-2-fluoro-5...) Show SMILES CCOc1cc(OC2CCOC2)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O Show InChI InChI=1S/C21H24FN3O5/c1-2-29-15-9-16(18(22)17(10-15)30-14-7-8-28-11-14)19(21(26)27)25-13-5-3-12(4-6-13)20(23)24/h3-6,9-10,14,19,25H,2,7-8,11H2,1H3,(H3,23,24)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	88	-39.9	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50197091 (CHEMBL1738980) Show SMILES Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(O)=O Show InChI InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human FABP3 after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50197087 (CHEMBL3950316) Show SMILES Cc1cc(Cl)cc2c(-c3ccccc3)c(C(O)=O)c(nc12)N1CCCCC1 Show InChI InChI=1S/C22H21ClN2O2/c1-14-12-16(23)13-17-18(15-8-4-2-5-9-15)19(22(26)27)21(24-20(14)17)25-10-6-3-7-11-25/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human FABP3 after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50197087 (CHEMBL3950316) Show SMILES Cc1cc(Cl)cc2c(-c3ccccc3)c(C(O)=O)c(nc12)N1CCCCC1 Show InChI InChI=1S/C22H21ClN2O2/c1-14-12-16(23)13-17-18(15-8-4-2-5-9-15)19(22(26)27)21(24-20(14)17)25-10-6-3-7-11-25/h2,4-5,8-9,12-13H,3,6-7,10-11H2,1H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b...				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Fatty acid-binding protein, adipocyte (Homo sapiens (Human))	BDBM50197091 (CHEMBL1738980) Show SMILES Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(O)=O Show InChI InChI=1S/C17H12ClNO2/c1-10-15(17(20)21)16(11-5-3-2-4-6-11)13-9-12(18)7-8-14(13)19-10/h2-9H,1H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from recombinant human His6-tagged FABP4 expressed in Escherichia coli after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor VII (Homo sapiens (Human))	BDBM13563 (2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(4...) Show SMILES CCOc1cc(O[C@H]2CC[C@H](O)CC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O |r,wU:7.6,wD:10.10,(-7.94,9.1,;-6.61,8.33,;-5.27,9.1,;-3.94,8.33,;-2.61,9.1,;-1.27,8.33,;.06,9.1,;1.39,8.33,;2.73,9.1,;4.06,8.33,;4.06,6.79,;5.4,6.02,;2.73,6.02,;1.39,6.79,;-1.27,6.79,;-2.61,6.02,;-3.94,6.79,;-2.61,4.48,;-1.27,3.71,;-1.27,2.17,;-2.61,1.4,;-2.61,-.14,;-1.27,-.91,;.06,-.14,;.06,1.4,;-1.27,-2.45,;-2.61,-3.22,;.06,-3.22,;-3.94,3.71,;-5.27,4.48,;-3.94,2.17,)| Show InChI InChI=1S/C23H29N3O5/c1-2-30-19-11-15(12-20(13-19)31-18-9-7-17(27)8-10-18)21(23(28)29)26-16-5-3-14(4-6-16)22(24)25/h3-6,11-13,17-18,21,26-27H,2,7-10H2,1H3,(H3,24,25)(H,28,29)/t17-,18-,21?	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	110	-39.3	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13570 ((2R)-2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-...) Show SMILES CCOc1cc(O[C@H]2CCOC2)cc(c1)[C@@H](Nc1ccc(cc1)C(N)=N)C(O)=O |r| Show InChI InChI=1S/C21H25N3O5/c1-2-28-17-9-14(10-18(11-17)29-16-7-8-27-12-16)19(21(25)26)24-15-5-3-13(4-6-15)20(22)23/h3-6,9-11,16,19,24H,2,7-8,12H2,1H3,(H3,22,23)(H,25,26)/t16-,19+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	120	-39.1	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50197086 (CHEMBL3971182) Show SMILES OC(=O)c1c(nc2c(Cl)cc(Cl)cc2c1-c1ccccc1)N1CCCCC1 Show InChI InChI=1S/C21H18Cl2N2O2/c22-14-11-15-17(13-7-3-1-4-8-13)18(21(26)27)20(24-19(15)16(23)12-14)25-9-5-2-6-10-25/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b...				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13569 (2-[(4-carbamimidoylphenyl)amino]-2-{3-ethynyl-5-[(...) Show SMILES NC(=N)c1ccc(NC(C(O)=O)c2cc(O[C@@H]3CCOC3)cc(c2)C#C)cc1 |r| Show InChI InChI=1S/C21H21N3O4/c1-2-13-9-15(11-18(10-13)28-17-7-8-27-12-17)19(21(25)26)24-16-5-3-14(4-6-16)20(22)23/h1,3-6,9-11,17,19,24H,7-8,12H2,(H3,22,23)(H,25,26)/t17-,19?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	129	-38.9	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13571 (2-[(4-carbamimidoylphenyl)amino]-2-(3-ethoxy-5-phe...) Show SMILES CCOc1cc(cc(c1)-c1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O Show InChI InChI=1S/C23H23N3O3/c1-2-29-20-13-17(15-6-4-3-5-7-15)12-18(14-20)21(23(27)28)26-19-10-8-16(9-11-19)22(24)25/h3-14,21,26H,2H2,1H3,(H3,24,25)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	130	-38.9	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50197090 (CHEMBL3970105) Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3n[nH]c(=S)o3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C22H19ClN4OS/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(29)28-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	133	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b...				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13588 ((4-Carbamimidoyl-phenylamino)-[3-ethoxy-5-(tetra-h...) Show SMILES CCOc1cc(OC2CCOC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O Show InChI InChI=1S/C21H25N3O5/c1-2-28-17-9-14(10-18(11-17)29-16-7-8-27-12-16)19(21(25)26)24-15-5-3-13(4-6-15)20(22)23/h3-6,9-11,16,19,24H,2,7-8,12H2,1H3,(H3,22,23)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	140	-38.7	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13559 (2-[(4-carbamimidoylphenyl)amino]-2-[3-ethoxy-5-(ox...) Show SMILES CCOc1cc(OC2CCOCC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O Show InChI InChI=1S/C22H27N3O5/c1-2-29-18-11-15(12-19(13-18)30-17-7-9-28-10-8-17)20(22(26)27)25-16-5-3-14(4-6-16)21(23)24/h3-6,11-13,17,20,25H,2,7-10H2,1H3,(H3,23,24)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	140	-38.7	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM13592 (2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxyp...) Show SMILES COc1ccc(-c2ccc(cc2C(O)=O)C(=O)N[C@H](CO)C(C)(C)C)c(n1)C(=O)Nc1ccc(cc1)C(N)=N |r| Show InChI InChI=1S/C28H31N5O6/c1-28(2,3)21(14-34)32-25(35)16-7-10-18(20(13-16)27(37)38)19-11-12-22(39-4)33-23(19)26(36)31-17-8-5-15(6-9-17)24(29)30/h5-13,21,34H,14H2,1-4H3,(H3,29,30)(H,31,36)(H,32,35)(H,37,38)/t21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (Homo sapiens (Human))	BDBM50197089 (CHEMBL3889982) Show SMILES Clc1ccc2nc(N3CCCCC3)c(-c3n[nH]c(=O)o3)c(-c3ccccc3)c2c1 Show InChI InChI=1S/C22H19ClN4O2/c23-15-9-10-17-16(13-15)18(14-7-3-1-4-8-14)19(21-25-26-22(28)29-21)20(24-17)27-11-5-2-6-12-27/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human N-terminal His6-tagged FABP5 (127 to 132 residues) expressed in Escherichia coli after 30 mins b...				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13564 (2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(1...) Show SMILES CCOc1cc(OC2CCN(CC2)S(C)(=O)=O)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O Show InChI InChI=1S/C23H30N4O6S/c1-3-32-19-12-16(21(23(28)29)26-17-6-4-15(5-7-17)22(24)25)13-20(14-19)33-18-8-10-27(11-9-18)34(2,30)31/h4-7,12-14,18,21,26H,3,8-11H2,1-2H3,(H3,24,25)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	180	-38.1	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13558 (2-[(4-carbamimidoylphenyl)amino]-2-(3,5-diethoxyph...) Show SMILES CCOc1cc(OCC)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O Show InChI InChI=1S/C19H23N3O4/c1-3-25-15-9-13(10-16(11-15)26-4-2)17(19(23)24)22-14-7-5-12(6-8-14)18(20)21/h5-11,17,22H,3-4H2,1-2H3,(H3,20,21)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	190	-38.0	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13558 (2-[(4-carbamimidoylphenyl)amino]-2-(3,5-diethoxyph...) Show SMILES CCOc1cc(OCC)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O Show InChI InChI=1S/C19H23N3O4/c1-3-25-15-9-13(10-16(11-15)26-4-2)17(19(23)24)22-14-7-5-12(6-8-14)18(20)21/h5-11,17,22H,3-4H2,1-2H3,(H3,20,21)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	190	-38.0	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13587 ((RS)-(4-carbamimidoyl-phenylamino)-(3,5-diethoxy-2...) Show SMILES CCOc1cc(OCC)c(F)c(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O Show InChI InChI=1S/C19H22FN3O4/c1-3-26-13-9-14(16(20)15(10-13)27-4-2)17(19(24)25)23-12-7-5-11(6-8-12)18(21)22/h5-10,17,23H,3-4H2,1-2H3,(H3,21,22)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	200	-37.9	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM13592 (2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxyp...) Show SMILES COc1ccc(-c2ccc(cc2C(O)=O)C(=O)N[C@H](CO)C(C)(C)C)c(n1)C(=O)Nc1ccc(cc1)C(N)=N |r| Show InChI InChI=1S/C28H31N5O6/c1-28(2,3)21(14-34)32-25(35)16-7-10-18(20(13-16)27(37)38)19-11-12-22(39-4)33-23(19)26(36)31-17-8-5-15(6-9-17)24(29)30/h5-13,21,34H,14H2,1-4H3,(H3,29,30)(H,31,36)(H,32,35)(H,37,38)/t21-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem 14: 5357-69 (2006) Article DOI: 10.1016/j.bmc.2006.03.042 BindingDB Entry DOI: 10.7270/Q2NP22PZ
					More data for this Ligand-Target Pair
Serine protease 1 (Bos taurus (bovine))	BDBM13556 (2-[4-(benzyloxy)-3-methoxyphenyl]-2-[(4-carbamimid...) Show SMILES COc1cc(ccc1OCc1ccccc1)C(Nc1ccc(cc1)C(N)=N)C(O)=O Show InChI InChI=1S/C23H23N3O4/c1-29-20-13-17(9-12-19(20)30-14-15-5-3-2-4-6-15)21(23(27)28)26-18-10-7-16(8-11-18)22(24)25/h2-13,21,26H,14H2,1H3,(H3,24,25)(H,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM13566 (2-[(4-carbamimidoylphenyl)amino]-2-{3-ethoxy-5-[(3...) Show SMILES CCOc1cc(O[C@H]2CCOC2)cc(c1)C(Nc1ccc(cc1)C(N)=N)C(O)=O |r| Show InChI InChI=1S/C21H25N3O5/c1-2-28-17-9-14(10-18(11-17)29-16-7-8-27-12-16)19(21(25)26)24-15-5-3-13(4-6-15)20(22)23/h3-6,9-11,16,19,24H,2,7-8,12H2,1H3,(H3,22,23)(H,25,26)/t16-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	330	-36.6	n/a	n/a	n/a	n/a	n/a	7.8	22
F. Hoffmann-La Roche Ltd.					Assay Description The enzyme reactions were initiated by the addition of substrate, and the color developed from the release of p-nitroanilide from each chromogenic su...				Bioorg Med Chem Lett 15: 5344-52 (2005) Article DOI: 10.1016/j.bmcl.2005.04.079 BindingDB Entry DOI: 10.7270/Q2X63K6X
					More data for this Ligand-Target Pair
Fatty acid-binding protein, heart (Homo sapiens (Human))	BDBM50197092 (CHEMBL3947458) Show SMILES CC(C)c1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(O)=O Show InChI InChI=1S/C19H16ClNO2/c1-11(2)18-17(19(22)23)16(12-6-4-3-5-7-12)14-10-13(20)8-9-15(14)21-18/h3-11H,1-2H3,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of Bodipy-labeled fatty acid from human FABP3 after 30 mins by TR-FRET assay				Bioorg Med Chem Lett 26: 5092-5097 (2016) Article DOI: 10.1016/j.bmcl.2016.08.071 BindingDB Entry DOI: 10.7270/Q25H7J69
					More data for this Ligand-Target Pair

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