Compile Data Set for Download or QSAR

Found 115 hits with Last Name = 'rankin' and Initial = 'fw'   

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-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-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))	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))	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))	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))	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))	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))	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-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))	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))	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))	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))	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))	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))	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
Dual specificity mitogen-activated protein kinase kinase 2 (Homo sapiens (Human))	BDBM50072147 ((2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)...) Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N Show InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8,11-12,23-24H,21-22H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of the dual specificity kinase MEK-2				Bioorg Med Chem Lett 8: 2839-44 (1999) BindingDB Entry DOI: 10.7270/Q2MW2HNN
					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-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
Dual specificity mitogen-activated protein kinase kinase 1 (Homo sapiens (Human))	BDBM50072147 ((2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)...) Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N Show InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8,11-12,23-24H,21-22H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	MMDB PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description Inhibition of the dual specificity kinase MEK-1				Bioorg Med Chem Lett 8: 2839-44 (1999) BindingDB Entry DOI: 10.7270/Q2MW2HNN
					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-IIb/beta-3 (Homo sapiens (Human))	BDBM50058898 ((S)-2-Butoxycarbonylamino-3-{2-[3-(4-guanidino-phe...) Show SMILES [#6]-[#6]-[#6]-[#6]-[#8]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#7]-[#6](=O)-[#6]-[#6]-1-[#6]-[#6](=[#7]-[#8]-1)-c1ccc(cc1)\[#7]=[#6](/[#7])-[#7])-[#6](-[#8])=O |c:16| Show InChI InChI=1S/C20H28N6O6/c1-2-3-8-31-20(30)25-16(18(28)29)11-23-17(27)10-14-9-15(26-32-14)12-4-6-13(7-5-12)24-19(21)22/h4-7,14,16H,2-3,8-11H2,1H3,(H,23,27)(H,25,30)(H,28,29)(H4,21,22,24)/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	88	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))	BDBM50058859 ((S)-2-Amino-3-{2-[3-(4-carbamimidoyl-phenyl)-4,5-d...) Show SMILES N[C@@H](CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:9| Show InChI InChI=1S/C15H19N5O4/c16-11(15(22)23)7-19-13(21)6-10-5-12(20-24-10)8-1-3-9(4-2-8)14(17)18/h1-4,10-11H,5-7,16H2,(H3,17,18)(H,19,21)(H,22,23)/t10?,11-/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	91	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))	BDBM50058902 ((S)-N-Adamantan-1-ylmethyl-3-{2-[3-(4-carbamimidoy...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)N[C@@H](CC(O)=O)C(=O)NCC23CC4CC(CC(C4)C2)C3)C1 |t:10,TLB:33:32:35:28.27.29,33:28:35:32.34.31,THB:31:30:27:32.34.33,31:32:27:30.35.29| Show InChI InChI=1S/C27H35N5O5/c28-25(29)19-3-1-18(2-4-19)21-8-20(37-32-21)9-23(33)31-22(10-24(34)35)26(36)30-14-27-11-15-5-16(12-27)7-17(6-15)13-27/h1-4,15-17,20,22H,5-14H2,(H3,28,29)(H,30,36)(H,31,33)(H,34,35)/t15?,16?,17?,20?,22-,27?/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	95	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	100	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))	BDBM50058879 ((S)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES CC(C)OC(=O)N[C@@H](CNC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:15| Show InChI InChI=1S/C19H25N5O6/c1-10(2)29-19(28)23-15(18(26)27)9-22-16(25)8-13-7-14(24-30-13)11-3-5-12(6-4-11)17(20)21/h3-6,10,13,15H,7-9H2,1-2H3,(H3,20,21)(H,22,25)(H,23,28)(H,26,27)/t13?,15-/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	130	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))	BDBM50058906 ((S)-N-Adamantan-2-yl-3-{2-[3-(4-carbamimidoyl-phen...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)N[C@@H](CC(O)=O)C(=O)NC2C3CC4CC(C3)CC2C4)C1 |wU:17.17,t:10,TLB:24:25:28.27.34:30.32.31,24:25:27:30.31.29,THB:32:33:27:30.31.29,32:30:27:25.33.34,29:30:25:28.27.34,29:28:25:30.32.31,(-2.91,1.47,;-2.01,2.7,;-2.62,4.11,;-.47,2.56,;.43,3.79,;1.97,3.63,;2.58,2.22,;1.7,.99,;.17,1.15,;4.12,2.06,;4.89,.73,;6.41,1.05,;6.57,2.59,;7.9,3.36,;9.23,2.59,;9.23,1.05,;10.57,3.36,;11.9,2.59,;13.25,3.36,;14.57,2.59,;15.92,3.36,;14.68,1.12,;11.9,1.05,;10.57,.28,;13.15,,;13.05,-1.75,;12.41,-3.1,;10.8,-3.76,;12.32,-4.02,;13.37,-5.12,;14.82,-4.38,;13.41,-4.11,;15.49,-3,;14.47,-1.9,;12.99,-2.57,;5.15,3.2,)| Show InChI InChI=1S/C26H33N5O5/c27-25(28)16-3-1-15(2-4-16)20-10-19(36-31-20)11-22(32)29-21(12-23(33)34)26(35)30-24-17-6-13-5-14(8-17)9-18(24)7-13/h1-4,13-14,17-19,21,24H,5-12H2,(H3,27,28)(H,29,32)(H,30,35)(H,33,34)/t13?,14?,17?,18?,19?,21-,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	140	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))	BDBM50058894 ((S)-2-Benzyloxycarbonylamino-3-({2-[3-(4-carbamimi...) Show SMILES COC(=O)[C@H](CN(C)C(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)NC(=O)OCc1ccccc1 |c:13| Show InChI InChI=1S/C25H29N5O6/c1-30(14-21(24(32)34-2)28-25(33)35-15-16-6-4-3-5-7-16)22(31)13-19-12-20(29-36-19)17-8-10-18(11-9-17)23(26)27/h3-11,19,21H,12-15H2,1-2H3,(H3,26,27)(H,28,33)/t19?,21-/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	160	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))	BDBM50058875 ((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)N2CCc3ccccc3C2)C1 |t:10| Show InChI InChI=1S/C25H27N5O5/c26-24(27)17-7-5-16(6-8-17)20-11-19(35-29-20)12-22(31)28-21(13-23(32)33)25(34)30-10-9-15-3-1-2-4-18(15)14-30/h1-8,19,21H,9-14H2,(H3,26,27)(H,28,31)(H,32,33)/t19?,21-/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	170	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))	BDBM50058893 ((S)-3-{2-[(R)-3-(4-Carbamimidoyl-phenyl)-4,5-dihyd...) Show SMILES NC(=N)c1ccc(cc1)C1=NO[C@@H](CC(=O)N[C@@H](CC(O)=O)c2cccnc2)C1 |t:10| Show InChI InChI=1S/C20H21N5O4/c21-20(22)13-5-3-12(4-6-13)17-8-15(29-25-17)9-18(26)24-16(10-19(27)28)14-2-1-7-23-11-14/h1-7,11,15-16H,8-10H2,(H3,21,22)(H,24,26)(H,27,28)/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	170	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))	BDBM50058865 ((S)-2-Butoxycarbonylamino-3-{2-[3-(2-piperidin-4-y...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)CC1CC(CCC2CCNCC2)=NO1)C(O)=O |c:25| Show InChI InChI=1S/C20H34N4O6/c1-2-3-10-29-20(28)23-17(19(26)27)13-22-18(25)12-16-11-15(24-30-16)5-4-14-6-8-21-9-7-14/h14,16-17,21H,2-13H2,1H3,(H,22,25)(H,23,28)(H,26,27)/t16?,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	180	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))	BDBM50058876 ((S)-N-Benzyl-N-butyl-3-{2-[3-(4-carbamimidoyl-phen...) Show SMILES CCCCN(Cc1ccccc1)C(=O)[C@H](CC(O)=O)NC(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N |c:26| Show InChI InChI=1S/C27H33N5O5/c1-2-3-13-32(17-18-7-5-4-6-8-18)27(36)23(16-25(34)35)30-24(33)15-21-14-22(31-37-21)19-9-11-20(12-10-19)26(28)29/h4-12,21,23H,2-3,13-17H2,1H3,(H3,28,29)(H,30,33)(H,34,35)/t21?,23-/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	180	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))	BDBM50058903 ((S)-2-Butoxycarbonylamino-3-{2-[3-(3-piperidin-4-y...) Show SMILES CCCCOC(=O)N[C@@H](CNC(=O)CC1CC(CCCC2CCNCC2)=NO1)C(O)=O |c:26| Show InChI InChI=1S/C21H36N4O6/c1-2-3-11-30-21(29)24-18(20(27)28)14-23-19(26)13-17-12-16(25-31-17)6-4-5-15-7-9-22-10-8-15/h15,17-18,22H,2-14H2,1H3,(H,23,26)(H,24,29)(H,27,28)/t17?,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	180	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))	BDBM50058899 ((R)-3-{2-[3-(4-Carbamimidoyl-phenyl)-4,5-dihydro-i...) Show SMILES NC(=N)c1ccc(cc1)C1=NOC(CC(=O)N[C@H](CCc2ccccn2)CC(O)=O)C1 |t:10| Show InChI InChI=1S/C22H25N5O4/c23-22(24)15-6-4-14(5-7-15)19-12-18(31-27-19)13-20(28)26-17(11-21(29)30)9-8-16-3-1-2-10-25-16/h1-7,10,17-18H,8-9,11-13H2,(H3,23,24)(H,26,28)(H,29,30)/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	180	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
Dual specificity mitogen-activated protein kinase kinase 1/2 (Homo sapiens (Human))	BDBM50072147 ((2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)...) Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N Show InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8,11-12,23-24H,21-22H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Pharmaceuticals Company Curated by ChEMBL					Assay Description AP-1 suppression activity using freshly prepared DMSO stock				Bioorg Med Chem Lett 8: 2839-44 (1999) BindingDB Entry DOI: 10.7270/Q2MW2HNN
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50058869 ((S)-2-Butoxycarbonylamino-3-({2-[3-(4-carbamimidoy...) Show SMILES CCCCOC(=O)N[C@@H](CN(C)C(=O)CC1CC(=NO1)c1ccc(cc1)C(N)=N)C(O)=O |c:17| Show InChI InChI=1S/C21H29N5O6/c1-3-4-9-31-21(30)24-17(20(28)29)12-26(2)18(27)11-15-10-16(25-32-15)13-5-7-14(8-6-13)19(22)23/h5-8,15,17H,3-4,9-12H2,1-2H3,(H3,22,23)(H,24,30)(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	200	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))	BDBM50058860 ((S)-2-Benzyloxycarbonylamino-3-{2-[3-(2-piperidin-...) Show SMILES OC(=O)[C@H](CNC(=O)CC1CC(CCC2CCNCC2)=NO1)NC(=O)OCc1ccccc1 |c:20| Show InChI InChI=1S/C23H32N4O6/c28-21(13-19-12-18(27-33-19)7-6-16-8-10-24-11-9-16)25-14-20(22(29)30)26-23(31)32-15-17-4-2-1-3-5-17/h1-5,16,19-20,24H,6-15H2,(H,25,28)(H,26,31)(H,29,30)/t19?,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	210	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

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