Compile Data Set for Download or QSAR

Found 125 hits with Last Name = 'rockwell' and Initial = 'al'   

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
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058855 ((S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to purified platelet Fibrinogen Receptor				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50076575 (3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...) Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNC(N)=N)C1)C(O)=O |t:19| Show InChI InChI=1S/C21H32N6O6S/c1-12-8-13(2)18(14(3)9-12)34(31,32)27-17(20(29)30)11-25-19(28)16-10-15(33-26-16)6-4-5-7-24-21(22)23/h8-9,15,17,27H,4-7,10-11H2,1-3H3,(H,25,28)(H,29,30)(H4,22,23,24)/t15?,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity against vitronectin receptor				Bioorg Med Chem Lett 9: 937-42 (1999) BindingDB Entry DOI: 10.7270/Q2G1600K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50217532 (CHEMBL3559597) Show SMILES [#6]-c1cn(-[#6])[n+](Cl)c1S(=O)(=O)[#7]-[#6@@H](-[#6]-[#7]-[#6](=O)-[#6]-1=[#7]-[#8]-[#6](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1)-[#6](-[#8-])=O |t:18| Show InChI InChI=1S/C17H27ClN8O6S/c1-10-9-25(2)26(18)15(10)33(30,31)24-13(16(28)29)8-22-14(27)12-7-11(32-23-12)5-3-4-6-21-17(19)20/h9,11,13,24H,3-8H2,1-2H3,(H5-,19,20,21,22,27,28,29)/t11?,13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity against vitronectin receptor				Bioorg Med Chem Lett 9: 937-42 (1999) BindingDB Entry DOI: 10.7270/Q2G1600K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50076582 (3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...) Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1Br)C(O)=O |c:10| Show InChI InChI=1S/C18H25BrN6O6S/c19-12-6-1-2-7-15(12)32(29,30)25-14(17(27)28)10-23-16(26)13-9-11(31-24-13)5-3-4-8-22-18(20)21/h1-2,6-7,11,14,25H,3-5,8-10H2,(H,23,26)(H,27,28)(H4,20,21,22)/t11?,14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity against vitronectin receptor				Bioorg Med Chem Lett 9: 937-42 (1999) BindingDB Entry DOI: 10.7270/Q2G1600K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50217533 (CHEMBL3559598) Show SMILES [#6]-[#7](-[#6])-c1cccc2[n+](cccc12)S(=O)(=O)[#7]-[#6@@H](-[#6]-[#7]-[#6](=O)-[#6]-1=[#7]-[#8]-[#6](-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6]-1)-[#6](-[#8-])=O |t:24| Show InChI InChI=1S/C23H32N8O6S/c1-30(2)19-9-5-10-20-16(19)8-6-12-31(20)38(35,36)29-18(22(33)34)14-27-21(32)17-13-15(37-28-17)7-3-4-11-26-23(24)25/h5-6,8-10,12,15,18,29H,3-4,7,11,13-14H2,1-2H3,(H5-,24,25,26,27,32,33,34)/t15?,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity against fibrinogen receptor				Bioorg Med Chem Lett 9: 937-42 (1999) BindingDB Entry DOI: 10.7270/Q2G1600K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50076576 (3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...) Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1ccc(s1)-c1ccccn1)C(O)=O |c:10| Show InChI InChI=1S/C21H27N7O6S2/c22-21(23)25-10-3-1-5-13-11-15(27-34-13)19(29)26-12-16(20(30)31)28-36(32,33)18-8-7-17(35-18)14-6-2-4-9-24-14/h2,4,6-9,13,16,28H,1,3,5,10-12H2,(H,26,29)(H,30,31)(H4,22,23,25)/t13?,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity against vitronectin receptor				Bioorg Med Chem Lett 9: 937-42 (1999) BindingDB Entry DOI: 10.7270/Q2G1600K
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058855 ((S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of [125I]fibrinogen binding to activated human platelets				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50076565 (3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...) Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O |c:10| Show InChI InChI=1S/C18H26N6O6S/c19-18(20)21-9-5-4-6-12-10-14(23-30-12)16(25)22-11-15(17(26)27)24-31(28,29)13-7-2-1-3-8-13/h1-3,7-8,12,15,24H,4-6,9-11H2,(H,22,25)(H,26,27)(H4,19,20,21)/t12?,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity against fibrinogen receptor				Bioorg Med Chem Lett 9: 937-42 (1999) BindingDB Entry DOI: 10.7270/Q2G1600K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50076560 (3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...) Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNC(N)=N)C1)C(O)=O |t:18| Show InChI InChI=1S/C19H28N6O7S/c1-31-12-5-7-14(8-6-12)33(29,30)25-16(18(27)28)11-23-17(26)15-10-13(32-24-15)4-2-3-9-22-19(20)21/h5-8,13,16,25H,2-4,9-11H2,1H3,(H,23,26)(H,27,28)(H4,20,21,22)/t13?,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity against fibrinogen receptor				Bioorg Med Chem Lett 9: 937-42 (1999) BindingDB Entry DOI: 10.7270/Q2G1600K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50076588 (3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...) Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(O)=O |c:10| Show InChI InChI=1S/C18H25ClN6O6S/c19-11-4-6-13(7-5-11)32(29,30)25-15(17(27)28)10-23-16(26)14-9-12(31-24-14)3-1-2-8-22-18(20)21/h4-7,12,15,25H,1-3,8-10H2,(H,23,26)(H,27,28)(H4,20,21,22)/t12?,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity against vitronectin receptor				Bioorg Med Chem Lett 9: 937-42 (1999) BindingDB Entry DOI: 10.7270/Q2G1600K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50076561 (3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...) Show SMILES Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNC(N)=N)C1)C(O)=O |t:17| Show InChI InChI=1S/C17H27N7O7S/c1-9-14(10(2)30-22-9)32(28,29)24-13(16(26)27)8-21-15(25)12-7-11(31-23-12)5-3-4-6-20-17(18)19/h11,13,24H,3-8H2,1-2H3,(H,21,25)(H,26,27)(H4,18,19,20)/t11?,13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity against vitronectin receptor				Bioorg Med Chem Lett 9: 937-42 (1999) BindingDB Entry DOI: 10.7270/Q2G1600K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50076584 (3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...) Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1ccc(F)cc1)C(O)=O |c:10| Show InChI InChI=1S/C18H25FN6O6S/c19-11-4-6-13(7-5-11)32(29,30)25-15(17(27)28)10-23-16(26)14-9-12(31-24-14)3-1-2-8-22-18(20)21/h4-7,12,15,25H,1-3,8-10H2,(H,23,26)(H,27,28)(H4,20,21,22)/t12?,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity against vitronectin receptor				Bioorg Med Chem Lett 9: 937-42 (1999) BindingDB Entry DOI: 10.7270/Q2G1600K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50076570 (3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...) Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1cccc2ccccc12)C(O)=O |c:10| Show InChI InChI=1S/C22H28N6O6S/c23-22(24)25-11-4-3-8-15-12-17(27-34-15)20(29)26-13-18(21(30)31)28-35(32,33)19-10-5-7-14-6-1-2-9-16(14)19/h1-2,5-7,9-10,15,18,28H,3-4,8,11-13H2,(H,26,29)(H,30,31)(H4,23,24,25)/t15?,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity against fibrinogen receptor				Bioorg Med Chem Lett 9: 937-42 (1999) BindingDB Entry DOI: 10.7270/Q2G1600K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50076569 ((S)-2-Benzyloxycarbonylamino-3-{[5-(4-guanidino-bu...) Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NC(=O)OCc1ccccc1)C(O)=O |c:10| Show InChI InChI=1S/C20H28N6O6/c21-19(22)23-9-5-4-8-14-10-15(26-32-14)17(27)24-11-16(18(28)29)25-20(30)31-12-13-6-2-1-3-7-13/h1-3,6-7,14,16H,4-5,8-12H2,(H,24,27)(H,25,30)(H,28,29)(H4,21,22,23)/t14?,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity against vitronectin receptor				Bioorg Med Chem Lett 9: 937-42 (1999) BindingDB Entry DOI: 10.7270/Q2G1600K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50076559 (3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...) Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1cccs1)C(O)=O |c:10| Show InChI InChI=1S/C16H24N6O6S2/c17-16(18)19-6-2-1-4-10-8-11(21-28-10)14(23)20-9-12(15(24)25)22-30(26,27)13-5-3-7-29-13/h3,5,7,10,12,22H,1-2,4,6,8-9H2,(H,20,23)(H,24,25)(H4,17,18,19)/t10?,12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity against fibrinogen receptor				Bioorg Med Chem Lett 9: 937-42 (1999) BindingDB Entry DOI: 10.7270/Q2G1600K
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50076562 (3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...) Show SMILES NC(=N)NCCCCC1CC(=NO1)C(=O)NC[C@H](NS(=O)(=O)c1cc(Cl)sc1Cl)C(O)=O |c:10| Show InChI InChI=1S/C16H22Cl2N6O6S2/c17-12-6-11(13(18)31-12)32(28,29)24-10(15(26)27)7-22-14(25)9-5-8(30-23-9)3-1-2-4-21-16(19)20/h6,8,10,24H,1-5,7H2,(H,22,25)(H,26,27)(H4,19,20,21)/t8?,10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity against vitronectin receptor				Bioorg Med Chem Lett 9: 937-42 (1999) BindingDB Entry DOI: 10.7270/Q2G1600K
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058889 ((R)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...) Show SMILES CCCCOC(=O)N[C@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058900 ((S)-2-Butoxycarbonylamino-3-{2-[3-(4-carbamimidoyl...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(=O)OC |c:16| Show InChI InChI=1S/C21H29N5O6/c1-3-4-9-31-21(29)25-17(20(28)30-2)12-24-18(27)11-15-10-16(26-32-15)13-5-7-14(8-6-13)19(22)23/h5-8,15,17H,3-4,9-12H2,1-2H3,(H3,22,23)(H,24,27)(H,25,29)/t15?,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058848 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)CCc2ccccc2)C(O)=O)C1 |t:10| Show InChI InChI=1S/C24H27N5O5/c25-23(26)17-9-7-16(8-10-17)19-12-18(34-29-19)13-22(31)27-14-20(24(32)33)28-21(30)11-6-15-4-2-1-3-5-15/h1-5,7-10,18,20H,6,11-14H2,(H3,25,26)(H,27,31)(H,28,30)(H,32,33)/t18?,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058847 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)OCCC(F)(F)F)C(O)=O)C1 |t:10| Show InChI InChI=1S/C19H22F3N5O6/c20-19(21,22)5-6-32-18(31)26-14(17(29)30)9-25-15(28)8-12-7-13(27-33-12)10-1-3-11(4-2-10)16(23)24/h1-4,12,14H,5-9H2,(H3,23,24)(H,25,28)(H,26,31)(H,29,30)/t12?,14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058881 ((S)-2-(Butane-1-sulfonylamino)-3-{2-[3-(4-carbamim...) Show SMILES CCCCS(=O)(=O)N[C@@H](CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C19H27N5O6S/c1-2-3-8-31(28,29)24-16(19(26)27)11-22-17(25)10-14-9-15(23-30-14)12-4-6-13(7-5-12)18(20)21/h4-7,14,16,24H,2-3,8-11H2,1H3,(H3,20,21)(H,22,25)(H,26,27)/t14?,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058866 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)OCc2ccccc2Cl)C(O)=O)C1 |t:10| Show InChI InChI=1S/C23H24ClN5O6/c24-17-4-2-1-3-15(17)12-34-23(33)28-19(22(31)32)11-27-20(30)10-16-9-18(29-35-16)13-5-7-14(8-6-13)21(25)26/h1-8,16,19H,9-12H2,(H3,25,26)(H,27,30)(H,28,33)(H,31,32)/t16?,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058853 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)OCCC2CCCC2)C(O)=O)C1 |t:10| Show InChI InChI=1S/C23H31N5O6/c24-21(25)16-7-5-15(6-8-16)18-11-17(34-28-18)12-20(29)26-13-19(22(30)31)27-23(32)33-10-9-14-3-1-2-4-14/h5-8,14,17,19H,1-4,9-13H2,(H3,24,25)(H,26,29)(H,27,32)(H,30,31)/t17?,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058858 ((R)-2-Butoxycarbonylamino-3-{2-[(S)-3-(4-carbamimi...) Show SMILES CCCCOC(=O)N[C@H](CNC(=O)C[C@@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058880 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)OCCC2CC2)C(O)=O)C1 |t:10| Show InChI InChI=1S/C21H27N5O6/c22-19(23)14-5-3-13(4-6-14)16-9-15(32-26-16)10-18(27)24-11-17(20(28)29)25-21(30)31-8-7-12-1-2-12/h3-6,12,15,17H,1-2,7-11H2,(H3,22,23)(H,24,27)(H,25,30)(H,28,29)/t15?,17-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50076573 (3-{5-[4-amino(imino)methylaminobutyl]-4,5-dihydro-...) Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N[C@@H](CNC(=O)C1=NOC(CCCCNC(N)=N)C1)C(O)=O |t:20| Show InChI InChI=1S/C22H34N6O6S/c1-22(2,3)14-7-9-16(10-8-14)35(32,33)28-18(20(30)31)13-26-19(29)17-12-15(34-27-17)6-4-5-11-25-21(23)24/h7-10,15,18,28H,4-6,11-13H2,1-3H3,(H,26,29)(H,30,31)(H4,23,24,25)/t15?,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity against vitronectin receptor				Bioorg Med Chem Lett 9: 937-42 (1999) BindingDB Entry DOI: 10.7270/Q2G1600K
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058870 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES CCCCCCOC(=O)N[C@@H](CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:18| Show InChI InChI=1S/C22H31N5O6/c1-2-3-4-5-10-32-22(31)26-18(21(29)30)13-25-19(28)12-16-11-17(27-33-16)14-6-8-15(9-7-14)20(23)24/h6-9,16,18H,2-5,10-13H2,1H3,(H3,23,24)(H,25,28)(H,26,31)(H,29,30)/t16?,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058871 ((S)-2-Butoxycarbonylamino-3-{2-[3-(4-carbamimidoyl...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14?,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058892 ((S)-2-(4-Bromo-benzyloxycarbonylamino)-3-{2-[3-(4-...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)OCc2ccc(Br)cc2)C(O)=O)C1 |t:10| Show InChI InChI=1S/C23H24BrN5O6/c24-16-7-1-13(2-8-16)12-34-23(33)28-19(22(31)32)11-27-20(30)10-17-9-18(29-35-17)14-3-5-15(6-4-14)21(25)26/h1-8,17,19H,9-12H2,(H3,25,26)(H,27,30)(H,28,33)(H,31,32)/t17?,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058883 ((S)-2-But-3-enyloxycarbonylamino-3-{2-[3-(4-carbam...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)OCCC=C)C(O)=O)C1 |t:10| Show InChI InChI=1S/C20H25N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h2,4-7,14,16H,1,3,8-11H2,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14?,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058851 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES CC(C)COC(=O)N[C@@H](CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-11(2)10-30-20(29)24-16(19(27)28)9-23-17(26)8-14-7-15(25-31-14)12-3-5-13(6-4-12)18(21)22/h3-6,11,14,16H,7-10H2,1-2H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14?,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058864 ((S)-2-Benzyloxycarbonylamino-3-{2-[3-(4-carbamimid...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)OCc2ccccc2)C(O)=O)C1 |t:10| Show InChI InChI=1S/C23H25N5O6/c24-21(25)16-8-6-15(7-9-16)18-10-17(34-28-18)11-20(29)26-12-19(22(30)31)27-23(32)33-13-14-4-2-1-3-5-14/h1-9,17,19H,10-13H2,(H3,24,25)(H,26,29)(H,27,32)(H,30,31)/t17?,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058863 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES CCc1ccc(cc1)C(=O)N[C@@H](CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:20| Show InChI InChI=1S/C24H27N5O5/c1-2-14-3-5-17(6-4-14)23(31)28-20(24(32)33)13-27-21(30)12-18-11-19(29-34-18)15-7-9-16(10-8-15)22(25)26/h3-10,18,20H,2,11-13H2,1H3,(H3,25,26)(H,27,30)(H,28,31)(H,32,33)/t18?,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058855 ((S)-2-Butoxycarbonylamino-3-{2-[(R)-3-(4-carbamimi...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14-,16+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058856 ((R)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES COC(=O)C[C@@H](CC(C)C)NC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N |c:16| Show InChI InChI=1S/C20H28N4O4/c1-12(2)8-15(9-19(26)27-3)23-18(25)11-16-10-17(24-28-16)13-4-6-14(7-5-13)20(21)22/h4-7,12,15-16H,8-11H2,1-3H3,(H3,21,22)(H,23,25)/t15-,16?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058852 ((R)-3-{2-[(R)-3-(4-Carbamimidoyl-phenyl)-4,5-dihyd...) Show SMILES CC[C@H](CC(O)=O)NC(=O)C[C@H]1CC(=NO1)c1ccc(cc1)C(N)=N |c:13| Show InChI InChI=1S/C17H22N4O4/c1-2-12(7-16(23)24)20-15(22)9-13-8-14(21-25-13)10-3-5-11(6-4-10)17(18)19/h3-6,12-13H,2,7-9H2,1H3,(H3,18,19)(H,20,22)(H,23,24)/t12-,13-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058897 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)OCCc2ccccc2)C(O)=O)C1 |t:10| Show InChI InChI=1S/C24H27N5O6/c25-22(26)17-8-6-16(7-9-17)19-12-18(35-29-19)13-21(30)27-14-20(23(31)32)28-24(33)34-11-10-15-4-2-1-3-5-15/h1-9,18,20H,10-14H2,(H3,25,26)(H,27,30)(H,28,33)(H,31,32)/t18?,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50055900 (3-{2-[(R)-3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES NC(=N)c1ccc(cc1)C1=NO[C@@H](CC(=O)NCCC(O)=O)C1 |t:10| Show InChI InChI=1S/C15H18N4O4/c16-15(17)10-3-1-9(2-4-10)12-7-11(23-19-12)8-13(20)18-6-5-14(21)22/h1-4,11H,5-8H2,(H3,16,17)(H,18,20)(H,21,22)/t11-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058861 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)c2ccc3ccccc3c2)C(O)=O)C1 |t:10| Show InChI InChI=1S/C26H25N5O5/c27-24(28)17-8-6-16(7-9-17)21-12-20(36-31-21)13-23(32)29-14-22(26(34)35)30-25(33)19-10-5-15-3-1-2-4-18(15)11-19/h1-11,20,22H,12-14H2,(H3,27,28)(H,29,32)(H,30,33)(H,34,35)/t20?,22-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058884 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES COC(=O)N[C@@H](CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:13| Show InChI InChI=1S/C17H21N5O6/c1-27-17(26)21-13(16(24)25)8-20-14(23)7-11-6-12(22-28-11)9-2-4-10(5-3-9)15(18)19/h2-5,11,13H,6-8H2,1H3,(H3,18,19)(H,20,23)(H,21,26)(H,24,25)/t11?,13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50076581 ((S)-2-Benzyloxycarbonylamino-3-{[5-(2-guanidino-et...) Show SMILES NC(=N)NCCC1CC(=NO1)C(=O)NC[C@H](NC(=O)OCc1ccccc1)C(O)=O |c:8| Show InChI InChI=1S/C18H24N6O6/c19-17(20)21-7-6-12-8-13(24-30-12)15(25)22-9-14(16(26)27)23-18(28)29-10-11-4-2-1-3-5-11/h1-5,12,14H,6-10H2,(H,22,25)(H,23,28)(H,26,27)(H4,19,20,21)/t12?,14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity against vitronectin receptor				Bioorg Med Chem Lett 9: 937-42 (1999) BindingDB Entry DOI: 10.7270/Q2G1600K
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058896 ((S)-2-[(Biphenyl-4-carbonyl)-amino]-3-{2-[3-(4-car...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)c2ccc(cc2)-c2ccccc2)C(O)=O)C1 |t:10| Show InChI InChI=1S/C28H27N5O5/c29-26(30)20-10-8-19(9-11-20)23-14-22(38-33-23)15-25(34)31-16-24(28(36)37)32-27(35)21-12-6-18(7-13-21)17-4-2-1-3-5-17/h1-13,22,24H,14-16H2,(H3,29,30)(H,31,34)(H,32,35)(H,36,37)/t22?,24-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058874 ((S)-2-(3-Benzyl-ureido)-3-{2-[3-(4-carbamimidoyl-p...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)NC[C@H](NC(=O)NCc2ccccc2)C(O)=O)C1 |t:10| Show InChI InChI=1S/C23H26N6O5/c24-21(25)16-8-6-15(7-9-16)18-10-17(34-29-18)11-20(30)26-13-19(22(31)32)28-23(33)27-12-14-4-2-1-3-5-14/h1-9,17,19H,10-13H2,(H3,24,25)(H,26,30)(H,31,32)(H2,27,28,33)/t17?,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058868 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)N[C@@H](CC(O)=O)C(=O)NCCc2ccccc2)C1 |t:10| Show InChI InChI=1S/C24H27N5O5/c25-23(26)17-8-6-16(7-9-17)19-12-18(34-29-19)13-21(30)28-20(14-22(31)32)24(33)27-11-10-15-4-2-1-3-5-15/h1-9,18,20H,10-14H2,(H3,25,26)(H,27,33)(H,28,30)(H,31,32)/t18?,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058877 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES COC(=O)[C@H](CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)NC(=O)Nc1ccccc1 |c:12| Show InChI InChI=1S/C23H26N6O5/c1-33-22(31)19(28-23(32)27-16-5-3-2-4-6-16)13-26-20(30)12-17-11-18(29-34-17)14-7-9-15(10-8-14)21(24)25/h2-10,17,19H,11-13H2,1H3,(H3,24,25)(H,26,30)(H2,27,28,32)/t17?,19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50076557 ((S)-2-Benzyloxycarbonylamino-3-{2-[3-(3-guanidino-...) Show SMILES NC(=N)NCCCC1=NOC(CC(=O)NC[C@H](NC(=O)OCc2ccccc2)C(O)=O)C1 |t:7| Show InChI InChI=1S/C20H28N6O6/c21-19(22)23-8-4-7-14-9-15(32-26-14)10-17(27)24-11-16(18(28)29)25-20(30)31-12-13-5-2-1-3-6-13/h1-3,5-6,15-16H,4,7-12H2,(H,24,27)(H,25,30)(H,28,29)(H4,21,22,23)/t15?,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity against vitronectin receptor				Bioorg Med Chem Lett 9: 937-42 (1999) BindingDB Entry DOI: 10.7270/Q2G1600K
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058882 ((S)-2-Butoxycarbonylamino-3-{2-[3-(4-carbamimidoyl...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)CC1CC(=NO1)c1ccc(cc1F)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H26FN5O6/c1-2-3-6-31-20(30)25-16(19(28)29)10-24-17(27)9-12-8-15(26-32-12)13-5-4-11(18(22)23)7-14(13)21/h4-5,7,12,16H,2-3,6,8-10H2,1H3,(H3,22,23)(H,24,27)(H,25,30)(H,28,29)/t12?,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058871 ((S)-2-Butoxycarbonylamino-3-{2-[3-(4-carbamimidoyl...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:16| Show InChI InChI=1S/C20H27N5O6/c1-2-3-8-30-20(29)24-16(19(27)28)11-23-17(26)10-14-9-15(25-31-14)12-4-6-13(7-5-12)18(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H3,21,22)(H,23,26)(H,24,29)(H,27,28)/t14?,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058867 ((R)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)N[C@@H](CC(O)=O)Cc2ccccc2)C1 |t:10| Show InChI InChI=1S/C22H24N4O4/c23-22(24)16-8-6-15(7-9-16)19-12-18(30-26-19)13-20(27)25-17(11-21(28)29)10-14-4-2-1-3-5-14/h1-9,17-18H,10-13H2,(H3,23,24)(H,25,27)(H,28,29)/t17-,18?/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description In vitro inhibition of ADP-induced platelet aggregation in human platelet rich plasma (hPRP)				J Med Chem 40: 2064-84 (1997) Article DOI: 10.1021/jm960799i BindingDB Entry DOI: 10.7270/Q2DB82HC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50076563 ((S)-2-Benzyloxycarbonylamino-3-{3-[5-(2-guanidino-...) Show SMILES NC(=N)NCCC1CC(CCC(=O)NC[C@H](NC(=O)OCc2ccccc2)C(O)=O)=NO1 |c:30| Show InChI InChI=1S/C20H28N6O6/c21-19(22)23-9-8-15-10-14(26-32-15)6-7-17(27)24-11-16(18(28)29)25-20(30)31-12-13-4-2-1-3-5-13/h1-5,15-16H,6-12H2,(H,24,27)(H,25,30)(H,28,29)(H4,21,22,23)/t15?,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Du Pont Pharmaceuticals Company Curated by ChEMBL					Assay Description Antagonistic activity against fibrinogen receptor				Bioorg Med Chem Lett 9: 937-42 (1999) BindingDB Entry DOI: 10.7270/Q2G1600K
					More data for this Ligand-Target Pair

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