Compile Data Set for Download or QSAR

Found 173 hits with Last Name = 'marchand-brynaert' and Initial = 'j'   

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
Prothrombin (Homo sapiens (Human))	BDBM50195751 (CHEMBL227136 | naphthalene-1-sulfonic acid [(S)-4-...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]S(=O)(=O)c1cccc2ccccc12)-[#6](=O)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1 Show InChI InChI=1S/C20H27N5O4S/c21-20(22)23-10-4-8-17(19(26)25-11-13-29-14-12-25)24-30(27,28)18-9-3-6-15-5-1-2-7-16(15)18/h1-3,5-7,9,17,24H,4,8,10-14H2,(H4,21,22,23)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human alpha thrombin				Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50195765 (CHEMBL227406 | naphthalene-1-sulfonic acid [(S)-4-...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]S(=O)(=O)c1cccc2ccccc12)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C21H29N5O3S/c22-21(23)24-13-7-11-18(20(27)26-14-4-1-5-15-26)25-30(28,29)19-12-6-9-16-8-2-3-10-17(16)19/h2-3,6,8-10,12,18,25H,1,4-5,7,11,13-15H2,(H4,22,23,24)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human alpha thrombin				Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50195769 (CHEMBL437921 | N-[(S)-4-guanidino-1-(piperidine-1-...) Show SMILES [#6]-c1cccc(c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C18H29N5O3S/c1-14-7-5-8-15(13-14)27(25,26)22-16(9-6-10-21-18(19)20)17(24)23-11-3-2-4-12-23/h5,7-8,13,16,22H,2-4,6,9-12H2,1H3,(H4,19,20,21)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human alpha thrombin				Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50195764 (CHEMBL227412 | N-[(S)-4-guanidino-1-(morpholine-4-...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]S(=O)(=O)c1cccc(c1)C(F)(F)F)-[#6](=O)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1 Show InChI InChI=1S/C17H24F3N5O4S/c18-17(19,20)12-3-1-4-13(11-12)30(27,28)24-14(5-2-6-23-16(21)22)15(26)25-7-9-29-10-8-25/h1,3-4,11,14,24H,2,5-10H2,(H4,21,22,23)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human alpha thrombin				Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50195756 (CHEMBL227902 | naphthalene-1-sulfonic acid [(S)-1-...) Show SMILES [#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C22H30N6O4S/c1-16(29)27-12-14-28(15-13-27)21(30)19(9-5-11-25-22(23)24)26-33(31,32)20-10-4-7-17-6-2-3-8-18(17)20/h2-4,6-8,10,19,26H,5,9,11-15H2,1H3,(H4,23,24,25)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human alpha thrombin				Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50195762 (CHEMBL227761 | N-{(S)-1-[4-(12-amino-dodecyl)-pipe...) Show SMILES [#6]-c1cccc(c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7])-[#6]-[#6]-1 Show InChI InChI=1S/C29H53N7O3S/c1-25-14-12-15-26(24-25)40(38,39)34-27(16-13-18-33-29(31)32)28(37)36-22-20-35(21-23-36)19-11-9-7-5-3-2-4-6-8-10-17-30/h12,14-15,24,27,34H,2-11,13,16-23,30H2,1H3,(H4,31,32,33)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human alpha thrombin				Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50195755 (1,2,3,4-tetrahydro-quinoline-8-sulfonic acid [(S)-...) Show SMILES [#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)c1cccc2-[#6]-[#6]-[#6]-[#7]-c12 Show InChI InChI=1S/C21H33N7O4S/c1-15(29)27-11-13-28(14-12-27)20(30)17(7-4-10-25-21(22)23)26-33(31,32)18-8-2-5-16-6-3-9-24-19(16)18/h2,5,8,17,24,26H,3-4,6-7,9-14H2,1H3,(H4,22,23,25)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human alpha thrombin				Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50195752 (CHEMBL227555 | N-[(S)-4-guanidino-1-(morpholine-4-...) Show SMILES [#6]-c1cccc(c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1 Show InChI InChI=1S/C17H27N5O4S/c1-13-4-2-5-14(12-13)27(24,25)21-15(6-3-7-20-17(18)19)16(23)22-8-10-26-11-9-22/h2,4-5,12,15,21H,3,6-11H2,1H3,(H4,18,19,20)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human alpha thrombin				Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50195763 (CHEMBL387841 | N-{(1S)-1-{[4-(3-AMINOPROPYL)PIPERA...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C20H32F3N7O3S/c21-20(22,23)15-4-1-5-16(14-15)34(32,33)28-17(6-2-8-27-19(25)26)18(31)30-12-10-29(11-13-30)9-3-7-24/h1,4-5,14,17,28H,2-3,6-13,24H2,(H4,25,26,27)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human alpha thrombin				Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prothrombin (Homo sapiens (Human))	BDBM50195761 (CHEMBL437353 | N-[(S)-4-guanidino-1-(piperidine-1-...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]S(=O)(=O)c1cccc(c1)C(F)(F)F)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C18H26F3N5O3S/c19-18(20,21)13-6-4-7-14(12-13)30(28,29)25-15(8-5-9-24-17(22)23)16(27)26-10-2-1-3-11-26/h4,6-7,12,15,25H,1-3,5,8-11H2,(H4,22,23,24)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human alpha thrombin				Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50195766 (CHEMBL228241 | N-[(S)-1-(4-acetyl-piperazine-1-car...) Show SMILES [#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C19H27F3N6O4S/c1-13(29)27-8-10-28(11-9-27)17(30)16(6-3-7-25-18(23)24)26-33(31,32)15-5-2-4-14(12-15)19(20,21)22/h2,4-5,12,16,26H,3,6-11H2,1H3,(H4,23,24,25)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human alpha thrombin				Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50195754 (CHEMBL390753 | N-{(S)-1-[4-(12-amino-dodecanoyl)-p...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C29H48F3N7O4S/c30-29(31,32)23-12-10-13-24(22-23)44(42,43)37-25(14-11-17-36-28(34)35)27(41)39-20-18-38(19-21-39)26(40)15-8-6-4-2-1-3-5-7-9-16-33/h10,12-13,22,25,37H,1-9,11,14-21,33H2,(H4,34,35,36)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human alpha thrombin				Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50195757 (CHEMBL227247 | N-{(S)-1-[4-(12-amino-dodecanoyl)-p...) Show SMILES [#6]-c1cccc(c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7] Show InChI InChI=1S/C29H51N7O4S/c1-24-13-11-14-25(23-24)41(39,40)34-26(15-12-18-33-29(31)32)28(38)36-21-19-35(20-22-36)27(37)16-9-7-5-3-2-4-6-8-10-17-30/h11,13-14,23,26,34H,2-10,12,15-22,30H2,1H3,(H4,31,32,33)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human alpha thrombin				Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50195753 (CHEMBL227849 | N-[(S)-1-(4-acetyl-piperazine-1-car...) Show SMILES [#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)c1cccc(-[#6])c1 Show InChI InChI=1S/C19H30N6O4S/c1-14-5-3-6-16(13-14)30(28,29)23-17(7-4-8-22-19(20)21)18(27)25-11-9-24(10-12-25)15(2)26/h3,5-6,13,17,23H,4,7-12H2,1-2H3,(H4,20,21,22)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human alpha thrombin				Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50195759 (CHEMBL390752 | naphthalene-1-sulfonic acid {(S)-1-...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C32H53N7O3S/c33-20-11-7-5-3-1-2-4-6-8-12-22-38-23-25-39(26-24-38)31(40)29(18-14-21-36-32(34)35)37-43(41,42)30-19-13-16-27-15-9-10-17-28(27)30/h9-10,13,15-17,19,29,37H,1-8,11-12,14,18,20-26,33H2,(H4,34,35,36)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human alpha thrombin				Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50195767 (CHEMBL228012 | N-[(S)-4-guanidino-1-(piperazine-1-...) Show SMILES [#6]-c1cccc(c1)S(=O)(=O)[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-1-[#6]-[#6]-[#7]-[#6]-[#6]-1 Show InChI InChI=1S/C17H28N6O3S/c1-13-4-2-5-14(12-13)27(25,26)22-15(6-3-7-21-17(18)19)16(24)23-10-8-20-9-11-23/h2,4-5,12,15,20,22H,3,6-11H2,1H3,(H4,18,19,21)/t15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human alpha thrombin				Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50195760 (CHEMBL227794 | N-[(S)-4-guanidino-1-(piperazine-1-...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]S(=O)(=O)c1cccc(c1)C(F)(F)F)-[#6](=O)-[#7]-1-[#6]-[#6]-[#7]-[#6]-[#6]-1 Show InChI InChI=1S/C17H25F3N6O3S/c18-17(19,20)12-3-1-4-13(11-12)30(28,29)25-14(5-2-6-24-16(21)22)15(27)26-9-7-23-8-10-26/h1,3-4,11,14,23,25H,2,5-10H2,(H4,21,22,24)/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human alpha thrombin				Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50195758 (CHEMBL227246 | naphthalene-1-sulfonic acid [(S)-4-...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@H](-[#7]S(=O)(=O)c1cccc2ccccc12)-[#6](=O)-[#7]-1-[#6]-[#6]-[#7]-[#6]-[#6]-1 Show InChI InChI=1S/C20H28N6O3S/c21-20(22)24-10-4-8-17(19(27)26-13-11-23-12-14-26)25-30(28,29)18-9-3-6-15-5-1-2-7-16(15)18/h1-3,5-7,9,17,23,25H,4,8,10-14H2,(H4,21,22,24)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human alpha thrombin				Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50195768 (CHEMBL390751 | N-{(S)-1-[4-(12-amino-dodecyl)-pipe...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C29H50F3N7O3S/c30-29(31,32)24-13-11-14-25(23-24)43(41,42)37-26(15-12-17-36-28(34)35)27(40)39-21-19-38(20-22-39)18-10-8-6-4-2-1-3-5-7-9-16-33/h11,13-14,23,26,37H,1-10,12,15-22,33H2,(H4,34,35,36)/t26-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human alpha thrombin				Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50195750 (CHEMBL227498 | naphthalene-1-sulfonic acid {(S)-1-...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C32H51N7O4S/c33-20-11-7-5-3-1-2-4-6-8-19-30(40)38-22-24-39(25-23-38)31(41)28(17-13-21-36-32(34)35)37-44(42,43)29-18-12-15-26-14-9-10-16-27(26)29/h9-10,12,14-16,18,28,37H,1-8,11,13,17,19-25,33H2,(H4,34,35,36)/t28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human alpha thrombin				Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50195770 (CHEMBL389509 | N-[(S)-1-(4-{2-[2-(2-amino-ethoxy)-...) Show SMILES [#7]-[#6]-[#6]-[#8]-[#6]-[#6]-[#8]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]S(=O)(=O)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H38F3N7O5S/c24-23(25,26)18-3-1-4-19(17-18)39(35,36)31-20(5-2-7-30-22(28)29)21(34)33-10-8-32(9-11-33)12-14-38-16-15-37-13-6-27/h1,3-4,17,20,31H,2,5-16,27H2,(H4,28,29,30)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.15E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human alpha thrombin				Eur J Med Chem 42: 37-53 (2007) Article DOI: 10.1016/j.ejmech.2006.07.010 BindingDB Entry DOI: 10.7270/Q29886N6
					More data for this Ligand-Target Pair
Beta-lactamase OXA-10 (Pseudomonas aeruginosa)	BDBM50293713 (CHEMBL553476 | Tribenzyl 2-(2-phenoxyacetamido)ami...) Show SMILES O=C(COc1ccccc1)NC(CC(=O)OCc1ccccc1)(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C35H33NO8/c37-31(26-41-30-19-11-4-12-20-30)36-35(34(40)44-25-29-17-9-3-10-18-29,21-32(38)42-23-27-13-5-1-6-14-27)22-33(39)43-24-28-15-7-2-8-16-28/h1-20H,21-26H2,(H,36,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Competitive inhibition of Pseudomonas aeruginosa OXA10 beta-lactamase at pH 7				Bioorg Med Chem Lett 19: 3593-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.149 BindingDB Entry DOI: 10.7270/Q2W9597J
					More data for this Ligand-Target Pair
Beta-lactamase OXA-10 (Pseudomonas aeruginosa)	BDBM50293712 (CHEMBL561821 | Tribenzyl 2-aminopropane-1,2,3-tric...) Show SMILES NC(CC(=O)OCc1ccccc1)(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C27H27NO6/c28-27(26(31)34-20-23-14-8-3-9-15-23,16-24(29)32-18-21-10-4-1-5-11-21)17-25(30)33-19-22-12-6-2-7-13-22/h1-15H,16-20,28H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	7.0	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inactivation of Pseudomonas aeruginosa OXA10 beta-lactamase at pH 7				Bioorg Med Chem Lett 19: 3593-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.149 BindingDB Entry DOI: 10.7270/Q2W9597J
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus licheniformis)	BDBM50244091 (1,2-Dicarboxy-1-carboxymethyl-ethyl-ammonium chlor...) Show SMILES [NH3+]C(CC(O)=O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C6H9NO6/c7-6(5(12)13,1-3(8)9)2-4(10)11/h1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/p+1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Competitive inhibition of Bacillus licheniformis BS3 beta-lactamase at pH 5				Bioorg Med Chem Lett 19: 3593-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.149 BindingDB Entry DOI: 10.7270/Q2W9597J
					More data for this Ligand-Target Pair
Beta-lactamase (Bacillus licheniformis)	BDBM14672 (2-hydroxypropane-1,2,3-tricarboxylic acid | CHEMBL...) Show SMILES OC(=O)CC(O)(CC(O)=O)C(O)=O Show InChI InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.90E+5	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of Bacillus licheniformis BS3 beta-lactamase at pH 5				Bioorg Med Chem Lett 19: 3593-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.149 BindingDB Entry DOI: 10.7270/Q2W9597J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Bacillus licheniformis)	BDBM50244093 (1-hydroxypropane-1,2,3-tricarboxylate | isocitrate...) Show SMILES OC(C(CC([O-])=O)C([O-])=O)C([O-])=O Show InChI InChI=1S/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)/p-3	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	2.20E+6	n/a	n/a	n/a	n/a	n/a	n/a	5.0	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of Bacillus licheniformis BS3 beta-lactamase at pH 5				Bioorg Med Chem Lett 19: 3593-7 (2009) Article DOI: 10.1016/j.bmcl.2009.04.149 BindingDB Entry DOI: 10.7270/Q2W9597J
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50313793 ((S)-3-(3-amino-4-(3-(5,6,7,8-tetrahydro-1,8-naphth...) Show SMILES Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r| Show InChI InChI=1S/C27H29F3N4O5S/c28-27(29,30)19-5-1-7-21(16-19)40(37,38)34-23(26(35)36)15-17-8-11-24(22(31)14-17)39-13-3-6-20-10-9-18-4-2-12-32-25(18)33-20/h1,5,7-11,14,16,23,34H,2-4,6,12-13,15,31H2,(H,32,33)(H,35,36)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human Integrin alpha5beta3 receptors expressed in HOP cells assessed as cell attachment after 30 mins by colorimetric assay				Bioorg Med Chem Lett 20: 1861-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.150 BindingDB Entry DOI: 10.7270/Q2Z60P6B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50313793 ((S)-3-(3-amino-4-(3-(5,6,7,8-tetrahydro-1,8-naphth...) Show SMILES Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r| Show InChI InChI=1S/C27H29F3N4O5S/c28-27(29,30)19-5-1-7-21(16-19)40(37,38)34-23(26(35)36)15-17-8-11-24(22(31)14-17)39-13-3-6-20-10-9-18-4-2-12-32-25(18)33-20/h1,5,7-11,14,16,23,34H,2-4,6,12-13,15,31H2,(H,32,33)(H,35,36)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Universite Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay				J Med Chem 52: 7029-43 (2009) Article DOI: 10.1021/jm901133z BindingDB Entry DOI: 10.7270/Q2GB2507
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50313795 ((S)-3-(4-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2...) Show SMILES COCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r| Show InChI InChI=1S/C36H45F3N4O10S/c1-49-15-16-50-17-18-51-19-20-52-24-33(44)42-30-21-25(9-12-32(30)53-14-4-7-28-11-10-26-5-3-13-40-34(26)41-28)22-31(35(45)46)43-54(47,48)29-8-2-6-27(23-29)36(37,38)39/h2,6,8-12,21,23,31,43H,3-5,7,13-20,22,24H2,1H3,(H,40,41)(H,42,44)(H,45,46)/t31-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human Integrin alpha5beta3 receptors expressed in HOP cells assessed as cell attachment after 30 mins by colorimetric assay				Bioorg Med Chem Lett 20: 1861-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.150 BindingDB Entry DOI: 10.7270/Q2Z60P6B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50378338 (CHEMBL573961) Show SMILES COCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCNc1ccc2CCCNc2n1 |r| Show InChI InChI=1S/C36H46F3N5O10S/c1-50-15-16-51-17-18-52-19-20-53-24-33(45)42-29-21-25(22-30(35(46)47)44-55(48,49)28-7-2-6-27(23-28)36(37,38)39)8-10-31(29)54-14-4-13-40-32-11-9-26-5-3-12-41-34(26)43-32/h2,6-11,21,23,30,44H,3-5,12-20,22,24H2,1H3,(H,42,45)(H,46,47)(H2,40,41,43)/t30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Universite Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay				J Med Chem 52: 7029-43 (2009) Article DOI: 10.1021/jm901133z BindingDB Entry DOI: 10.7270/Q2GB2507
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50378336 (CHEMBL574136) Show SMILES NCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCNc1ccc2CCCNc2n1 |r| Show InChI InChI=1S/C35H45F3N6O9S/c36-35(37,38)26-5-1-6-27(22-26)54(48,49)44-29(34(46)47)21-24-7-9-30(28(20-24)42-32(45)23-52-19-18-51-17-16-50-15-11-39)53-14-3-13-40-31-10-8-25-4-2-12-41-33(25)43-31/h1,5-10,20,22,29,44H,2-4,11-19,21,23,39H2,(H,42,45)(H,46,47)(H2,40,41,43)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Universite Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay				J Med Chem 52: 7029-43 (2009) Article DOI: 10.1021/jm901133z BindingDB Entry DOI: 10.7270/Q2GB2507
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50378330 (CHEMBL583966) Show SMILES COCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCCNc1cc(C)ccn1 |r| Show InChI InChI=1S/C35H45F3N4O10S/c1-25-10-12-40-32(20-25)39-11-3-4-13-52-31-9-8-26(21-29(31)41-33(43)24-51-19-18-50-17-16-49-15-14-48-2)22-30(34(44)45)42-53(46,47)28-7-5-6-27(23-28)35(36,37)38/h5-10,12,20-21,23,30,42H,3-4,11,13-19,22,24H2,1-2H3,(H,39,40)(H,41,43)(H,44,45)/t30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Universite Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay				J Med Chem 52: 7029-43 (2009) Article DOI: 10.1021/jm901133z BindingDB Entry DOI: 10.7270/Q2GB2507
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50378326 (CHEMBL568500) Show SMILES Cc1ccnc(NCCCCOc2ccc(C[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)C(O)=O)cc2N)c1 |r| Show InChI InChI=1S/C26H29F3N4O5S/c1-17-9-11-32-24(13-17)31-10-2-3-12-38-23-8-7-18(14-21(23)30)15-22(25(34)35)33-39(36,37)20-6-4-5-19(16-20)26(27,28)29/h4-9,11,13-14,16,22,33H,2-3,10,12,15,30H2,1H3,(H,31,32)(H,34,35)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Universite Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay				J Med Chem 52: 7029-43 (2009) Article DOI: 10.1021/jm901133z BindingDB Entry DOI: 10.7270/Q2GB2507
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50378335 (CHEMBL574135) Show SMILES CC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r| Show InChI InChI=1S/C29H31F3N4O6S/c1-18(37)34-24-15-19(9-12-26(24)42-14-4-7-22-11-10-20-5-3-13-33-27(20)35-22)16-25(28(38)39)36-43(40,41)23-8-2-6-21(17-23)29(30,31)32/h2,6,8-12,15,17,25,36H,3-5,7,13-14,16H2,1H3,(H,33,35)(H,34,37)(H,38,39)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Universite Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay				J Med Chem 52: 7029-43 (2009) Article DOI: 10.1021/jm901133z BindingDB Entry DOI: 10.7270/Q2GB2507
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50378327 (CHEMBL575868) Show SMILES CC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCCNc1cc(C)ccn1 |r| Show InChI InChI=1S/C28H31F3N4O6S/c1-18-10-12-33-26(14-18)32-11-3-4-13-41-25-9-8-20(15-23(25)34-19(2)36)16-24(27(37)38)35-42(39,40)22-7-5-6-21(17-22)28(29,30)31/h5-10,12,14-15,17,24,35H,3-4,11,13,16H2,1-2H3,(H,32,33)(H,34,36)(H,37,38)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Universite Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay				J Med Chem 52: 7029-43 (2009) Article DOI: 10.1021/jm901133z BindingDB Entry DOI: 10.7270/Q2GB2507
					More data for this Ligand-Target Pair
Integrin alpha-5/beta-1 (Homo sapiens (Human))	BDBM50313794 ((S)-3-(3-(20-amino-3,6,9,12,15,18-hexaoxaicosanami...) Show SMILES NCCOCCOCCOCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCc1ccc2CCCNc2n1 |r| Show InChI InChI=1S/C41H56F3N5O12S/c42-41(43,44)32-5-1-7-34(28-32)62(53,54)49-36(40(51)52)27-30-8-11-37(61-14-3-6-33-10-9-31-4-2-13-46-39(31)47-33)35(26-30)48-38(50)29-60-25-24-59-23-22-58-21-20-57-19-18-56-17-16-55-15-12-45/h1,5,7-11,26,28,36,49H,2-4,6,12-25,27,29,45H2,(H,46,47)(H,48,50)(H,51,52)/t36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human Integrin alpha5beta3 receptors expressed in HOP cells assessed as cell attachment after 30 mins by colorimetric assay				Bioorg Med Chem Lett 20: 1861-5 (2010) Article DOI: 10.1016/j.bmcl.2010.01.150 BindingDB Entry DOI: 10.7270/Q2Z60P6B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50378337 (CHEMBL584588) Show SMILES NCCOCCOCCOCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCNc1ccc2CCCNc2n1 |r| Show InChI InChI=1S/C41H57F3N6O12S/c42-41(43,44)32-5-1-6-33(28-32)63(54,55)50-35(40(52)53)27-30-7-9-36(62-14-3-13-46-37-10-8-31-4-2-12-47-39(31)49-37)34(26-30)48-38(51)29-61-25-24-60-23-22-59-21-20-58-19-18-57-17-16-56-15-11-45/h1,5-10,26,28,35,50H,2-4,11-25,27,29,45H2,(H,48,51)(H,52,53)(H2,46,47,49)/t35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Universite Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay				J Med Chem 52: 7029-43 (2009) Article DOI: 10.1021/jm901133z BindingDB Entry DOI: 10.7270/Q2GB2507
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50378329 (CHEMBL573907) Show SMILES Cc1ccnc(NCCCCOc2ccc(C[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)C(O)=O)cc2NC(=O)COCCOCCOCCOCCOCCOCCN)c1 |r| Show InChI InChI=1S/C40H56F3N5O12S/c1-30-9-12-46-37(25-30)45-11-2-3-13-60-36-8-7-31(27-35(39(50)51)48-61(52,53)33-6-4-5-32(28-33)40(41,42)43)26-34(36)47-38(49)29-59-24-23-58-22-21-57-20-19-56-18-17-55-16-15-54-14-10-44/h4-9,12,25-26,28,35,48H,2-3,10-11,13-24,27,29,44H2,1H3,(H,45,46)(H,47,49)(H,50,51)/t35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Universite Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay				J Med Chem 52: 7029-43 (2009) Article DOI: 10.1021/jm901133z BindingDB Entry DOI: 10.7270/Q2GB2507
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50378323 (CHEMBL565478) Show SMILES [#7]-c1cc(-[#6]-[#6@H](-[#7]S(=O)(=O)c2cccc(c2)C(F)(F)F)-[#6](-[#8])=O)ccc1-[#8]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6]-1/[#7]-[#6]-[#6]-[#6]-[#7]-1 |r| Show InChI InChI=1S/C24H30F3N5O5S/c25-24(26,27)17-5-3-6-18(15-17)38(35,36)32-20(22(33)34)14-16-7-8-21(19(28)13-16)37-12-2-1-9-29-23-30-10-4-11-31-23/h3,5-8,13,15,20,32H,1-2,4,9-12,14,28H2,(H,33,34)(H2,29,30,31)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Universite Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay				J Med Chem 52: 7029-43 (2009) Article DOI: 10.1021/jm901133z BindingDB Entry DOI: 10.7270/Q2GB2507
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50378328 (CHEMBL573683) Show SMILES Cc1ccnc(NCCCCOc2ccc(C[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)C(O)=O)cc2NC(=O)COCCOCCOCCN)c1 |r| Show InChI InChI=1S/C34H44F3N5O9S/c1-24-9-12-40-31(19-24)39-11-2-3-13-51-30-8-7-25(20-28(30)41-32(43)23-50-18-17-49-16-15-48-14-10-38)21-29(33(44)45)42-52(46,47)27-6-4-5-26(22-27)34(35,36)37/h4-9,12,19-20,22,29,42H,2-3,10-11,13-18,21,23,38H2,1H3,(H,39,40)(H,41,43)(H,44,45)/t29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Universite Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay				J Med Chem 52: 7029-43 (2009) Article DOI: 10.1021/jm901133z BindingDB Entry DOI: 10.7270/Q2GB2507
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50378334 (CHEMBL566776) Show SMILES Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCCc1ccc2CCCNc2n1 |r| Show InChI InChI=1S/C28H31F3N4O5S/c29-28(30,31)20-6-3-8-22(17-20)41(38,39)35-24(27(36)37)16-18-9-12-25(23(32)15-18)40-14-2-1-7-21-11-10-19-5-4-13-33-26(19)34-21/h3,6,8-12,15,17,24,35H,1-2,4-5,7,13-14,16,32H2,(H,33,34)(H,36,37)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Universite Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay				J Med Chem 52: 7029-43 (2009) Article DOI: 10.1021/jm901133z BindingDB Entry DOI: 10.7270/Q2GB2507
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50378324 (CHEMBL567645) Show SMILES Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCNc1ccccn1 |r| Show InChI InChI=1S/C24H25F3N4O5S/c25-24(26,27)17-5-3-6-18(15-17)37(34,35)31-20(23(32)33)14-16-8-9-21(19(28)13-16)36-12-4-11-30-22-7-1-2-10-29-22/h1-3,5-10,13,15,20,31H,4,11-12,14,28H2,(H,29,30)(H,32,33)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Universite Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay				J Med Chem 52: 7029-43 (2009) Article DOI: 10.1021/jm901133z BindingDB Entry DOI: 10.7270/Q2GB2507
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50378325 (CHEMBL567617) Show SMILES Nc1cc(C[C@H](NS(=O)(=O)c2cccc(c2)C(F)(F)F)C(O)=O)ccc1OCCCCNc1ccccn1 |r| Show InChI InChI=1S/C25H27F3N4O5S/c26-25(27,28)18-6-5-7-19(16-18)38(35,36)32-21(24(33)34)15-17-9-10-22(20(29)14-17)37-13-4-3-12-31-23-8-1-2-11-30-23/h1-2,5-11,14,16,21,32H,3-4,12-13,15,29H2,(H,30,31)(H,33,34)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Universite Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay				J Med Chem 52: 7029-43 (2009) Article DOI: 10.1021/jm901133z BindingDB Entry DOI: 10.7270/Q2GB2507
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50378331 (CHEMBL566785) Show SMILES Cc1cccc(NCCCCOc2ccc(C[C@H](NS(=O)(=O)c3cccc(c3)C(F)(F)F)C(O)=O)cc2N)n1 |r| Show InChI InChI=1S/C26H29F3N4O5S/c1-17-6-4-9-24(32-17)31-12-2-3-13-38-23-11-10-18(14-21(23)30)15-22(25(34)35)33-39(36,37)20-8-5-7-19(16-20)26(27,28)29/h4-11,14,16,22,33H,2-3,12-13,15,30H2,1H3,(H,31,32)(H,34,35)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Universite Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay				J Med Chem 52: 7029-43 (2009) Article DOI: 10.1021/jm901133z BindingDB Entry DOI: 10.7270/Q2GB2507
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50378333 (CHEMBL583214) Show SMILES [#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@H](-[#7]S(=O)(=O)c2cccc(c2)C(F)(F)F)-[#6](-[#8])=O)cc1-[#7] |r| Show InChI InChI=1S/C21H26F3N5O5S/c22-21(23,24)14-4-3-5-15(12-14)35(32,33)29-17(19(30)31)11-13-6-7-18(16(25)10-13)34-9-2-1-8-28-20(26)27/h3-7,10,12,17,29H,1-2,8-9,11,25H2,(H,30,31)(H4,26,27,28)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Universite Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay				J Med Chem 52: 7029-43 (2009) Article DOI: 10.1021/jm901133z BindingDB Entry DOI: 10.7270/Q2GB2507
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50425557 (CHEMBL2313948) Show SMILES C[C@@H](OC(=O)CCCc1ccccc1)[C@@H]1CN(C(=O)OCC=C)C1=O |r| Show InChI InChI=1S/C19H23NO5/c1-3-12-24-19(23)20-13-16(18(20)22)14(2)25-17(21)11-7-10-15-8-5-4-6-9-15/h3-6,8-9,14,16H,1,7,10-13H2,2H3/t14-,16+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human recombinant FAAH-mediated [3H]AEA hydrolysis after 10 mins by liquid scintillation assay				Eur J Med Chem 60: 101-11 (2013) Article DOI: 10.1016/j.ejmech.2012.11.035 BindingDB Entry DOI: 10.7270/Q28C9XJN
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50378322 (CHEMBL566784) Show SMILES [#7]-c1cc(-[#6]-[#6@H](-[#7]S(=O)(=O)c2cccc(c2)C(F)(F)F)-[#6](-[#8])=O)ccc1-[#8]-[#6]-[#6]-[#6]\[#7]=[#6]-1\[#7]-[#6]-[#6]-[#6]-[#7]-1 |r| Show InChI InChI=1S/C23H28F3N5O5S/c24-23(25,26)16-4-1-5-17(14-16)37(34,35)31-19(21(32)33)13-15-6-7-20(18(27)12-15)36-11-3-10-30-22-28-8-2-9-29-22/h1,4-7,12,14,19,31H,2-3,8-11,13,27H2,(H,32,33)(H2,28,29,30)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Universite Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human integrin alphav beta3 receptor by biotinylated vitronectin competitive binding assay				J Med Chem 52: 7029-43 (2009) Article DOI: 10.1021/jm901133z BindingDB Entry DOI: 10.7270/Q2GB2507
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM26739 (3-(3-carbamoylphenyl)phenyl N-cyclohexylcarbamate ...) Show SMILES NC(=O)c1cccc(c1)-c1cccc(OC(=O)NC2CCCCC2)c1 Show InChI InChI=1S/C20H22N2O3/c21-19(23)16-8-4-6-14(12-16)15-7-5-11-18(13-15)25-20(24)22-17-9-2-1-3-10-17/h4-8,11-13,17H,1-3,9-10H2,(H2,21,23)(H,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Irreversible inhibition of human recombinant FAAH assessed as hydrolysis of [3H]-AEA after 10 mins by liquid scintillation counting				J Med Chem 54: 6812-23 (2011) Article DOI: 10.1021/jm200723m BindingDB Entry DOI: 10.7270/Q2FB542J
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM23120 (7-phenyl-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]hepta...) Show SMILES O=C(CCCCCCc1ccccc1)c1ncc(o1)-c1ccccn1 Show InChI InChI=1S/C21H22N2O2/c24-19(14-7-2-1-4-10-17-11-5-3-6-12-17)21-23-16-20(25-21)18-13-8-9-15-22-18/h3,5-6,8-9,11-13,15-16H,1-2,4,7,10,14H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ catholique de Louvain Curated by ChEMBL					Assay Description Reversible inhibition of human recombinant FAAH assessed as hydrolysis of [3H]-AEA after 10 mins by liquid scintillation counting				J Med Chem 54: 6812-23 (2011) Article DOI: 10.1021/jm200723m BindingDB Entry DOI: 10.7270/Q2FB542J
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 (Homo sapiens (Human))	BDBM50299922 (1-(Pent-4-enoyl)-(3S)-3-[1(R)-(4-phenylbutanoyloxy...) Show SMILES C[C@@H](OC(=O)CCCc1ccccc1)C1CN(C(=O)CCC=C)C1=O |r| Show InChI InChI=1S/C20H25NO4/c1-3-4-12-18(22)21-14-17(20(21)24)15(2)25-19(23)13-8-11-16-9-6-5-7-10-16/h3,5-7,9-10,15,17H,1,4,8,11-14H2,2H3/t15-,17?/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Universite Catholique de Louvain Curated by ChEMBL					Assay Description Inhibition of human recombinant FAAH using [3H]anandamide by competitive hydrolysis assay				J Med Chem 52: 7054-68 (2009) Article DOI: 10.1021/jm9008532 BindingDB Entry DOI: 10.7270/Q22B8Z3N
					More data for this Ligand-Target Pair

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