Compile Data Set for Download or QSAR

Found 506 hits with Last Name = 'parker' and Initial = 'mf'   

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))	BDBM50288109 (CHEMBL82123 | {2-Benzyl-7-[methyl-(2-piperidin-4-y...) Show SMILES CN(CCC1CCNCC1)C(=O)c1ccc2CN(Cc3ccccc3)C(=O)C(CC(O)=O)Cc2c1 Show InChI InChI=1S/C28H35N3O4/c1-30(14-11-20-9-12-29-13-10-20)27(34)22-7-8-23-19-31(18-21-5-3-2-4-6-21)28(35)25(17-26(32)33)16-24(23)15-22/h2-8,15,20,25,29H,9-14,16-19H2,1H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against human alpha IIb beta3 integrin				Bioorg Med Chem Lett 6: 2481-2486 (1996) Article DOI: 10.1016/0960-894X(96)00432-5 BindingDB Entry DOI: 10.7270/Q25M65Q4
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288120 (CHEMBL313768 | {2-Cyclohexyl-7-[methyl-(2-piperidi...) Show SMILES CN(CCC1CCNCC1)C(=O)c1ccc2CN(C3CCCCC3)C(=O)C(CC(O)=O)Cc2c1 Show InChI InChI=1S/C27H39N3O4/c1-29(14-11-19-9-12-28-13-10-19)26(33)20-7-8-21-18-30(24-5-3-2-4-6-24)27(34)23(17-25(31)32)16-22(21)15-20/h7-8,15,19,23-24,28H,2-6,9-14,16-18H2,1H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against human alpha IIb beta3 integrin				Bioorg Med Chem Lett 6: 2481-2486 (1996) Article DOI: 10.1016/0960-894X(96)00432-5 BindingDB Entry DOI: 10.7270/Q25M65Q4
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288119 (CHEMBL84073 | {2-Butyl-7-[methyl-(2-piperidin-4-yl...) Show SMILES CCCCN1Cc2ccc(cc2CC(CC(O)=O)C1=O)C(=O)N(C)CCC1CCNCC1 Show InChI InChI=1S/C25H37N3O4/c1-3-4-12-28-17-20-6-5-19(14-21(20)15-22(25(28)32)16-23(29)30)24(31)27(2)13-9-18-7-10-26-11-8-18/h5-6,14,18,22,26H,3-4,7-13,15-17H2,1-2H3,(H,29,30)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against human alpha IIb beta3 integrin				Bioorg Med Chem Lett 6: 2481-2486 (1996) Article DOI: 10.1016/0960-894X(96)00432-5 BindingDB Entry DOI: 10.7270/Q25M65Q4
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288115 (CHEMBL82746 | {2-(3-Methyl-butyl)-7-[methyl-(2-pip...) Show SMILES CC(C)CCN1Cc2ccc(cc2CC(CC(O)=O)C1=O)C(=O)N(C)CCC1CCNCC1 Show InChI InChI=1S/C26H39N3O4/c1-18(2)8-13-29-17-21-5-4-20(14-22(21)15-23(26(29)33)16-24(30)31)25(32)28(3)12-9-19-6-10-27-11-7-19/h4-5,14,18-19,23,27H,6-13,15-17H2,1-3H3,(H,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against human alpha IIb beta3 integrin				Bioorg Med Chem Lett 6: 2481-2486 (1996) Article DOI: 10.1016/0960-894X(96)00432-5 BindingDB Entry DOI: 10.7270/Q25M65Q4
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288118 (CHEMBL312122 | {2-Methyl-7-[methyl-(2-piperidin-4-...) Show SMILES CN(CCC1CCNCC1)C(=O)c1ccc2CN(C)C(=O)C(CC(O)=O)Cc2c1 Show InChI InChI=1S/C22H31N3O4/c1-24(10-7-15-5-8-23-9-6-15)21(28)16-3-4-17-14-25(2)22(29)19(13-20(26)27)12-18(17)11-16/h3-4,11,15,19,23H,5-10,12-14H2,1-2H3,(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against human alpha IIb beta3 integrin				Bioorg Med Chem Lett 6: 2481-2486 (1996) Article DOI: 10.1016/0960-894X(96)00432-5 BindingDB Entry DOI: 10.7270/Q25M65Q4
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50074035 (CHEMBL82980 | {7-[(4-Carbamimidoyl-phenyl)-methyl-...) Show SMILES CN(C(=O)c1ccc2CN(CCc3ccccc3)C(=O)C(CC(O)=O)Cc2c1)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C29H30N4O4/c1-32(25-11-9-20(10-12-25)27(30)31)28(36)21-7-8-22-18-33(14-13-19-5-3-2-4-6-19)29(37)24(17-26(34)35)16-23(22)15-21/h2-12,15,24H,13-14,16-18H2,1H3,(H3,30,31)(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human...				J Med Chem 42: 545-59 (1999) Article DOI: 10.1021/jm980166z BindingDB Entry DOI: 10.7270/Q2QZ295H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50074035 (CHEMBL82980 | {7-[(4-Carbamimidoyl-phenyl)-methyl-...) Show SMILES CN(C(=O)c1ccc2CN(CCc3ccccc3)C(=O)C(CC(O)=O)Cc2c1)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C29H30N4O4/c1-32(25-11-9-20(10-12-25)27(30)31)28(36)21-7-8-22-18-33(14-13-19-5-3-2-4-6-19)29(37)24(17-26(34)35)16-23(22)15-21/h2-12,15,24H,13-14,16-18H2,1H3,(H3,30,31)(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against human alpha IIb beta3 integrin				Bioorg Med Chem Lett 6: 2481-2486 (1996) Article DOI: 10.1016/0960-894X(96)00432-5 BindingDB Entry DOI: 10.7270/Q25M65Q4
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50054827 (CHEMBL85094 | SB-208651 | {8-[(4-Carbamimidoyl-phe...) Show SMILES CN(C(=O)c1ccc2CN(CCc3ccccc3)C(=O)C(CC(O)=O)Nc2c1)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C28H29N5O4/c1-32(22-11-9-19(10-12-22)26(29)30)27(36)20-7-8-21-17-33(14-13-18-5-3-2-4-6-18)28(37)24(16-25(34)35)31-23(21)15-20/h2-12,15,24,31H,13-14,16-17H2,1H3,(H3,29,30)(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against human alpha IIb beta3 integrin				Bioorg Med Chem Lett 6: 2481-2486 (1996) Article DOI: 10.1016/0960-894X(96)00432-5 BindingDB Entry DOI: 10.7270/Q25M65Q4
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50054827 (CHEMBL85094 | SB-208651 | {8-[(4-Carbamimidoyl-phe...) Show SMILES CN(C(=O)c1ccc2CN(CCc3ccccc3)C(=O)C(CC(O)=O)Nc2c1)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C28H29N5O4/c1-32(22-11-9-19(10-12-22)26(29)30)27(36)20-7-8-21-17-33(14-13-18-5-3-2-4-6-18)28(37)24(16-25(34)35)31-23(21)15-20/h2-12,15,24,31H,13-14,16-17H2,1H3,(H3,29,30)(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human...				J Med Chem 42: 545-59 (1999) Article DOI: 10.1021/jm980166z BindingDB Entry DOI: 10.7270/Q2QZ295H
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50152162 (CHEMBL188844 | CHEMBL2165204 | [3-(6-Dimethylamino...) Show SMILES CCCN(CCC)c1cc(C)nc2c(c(C)nn12)-c1ccc(nc1)N(C)C Show InChI InChI=1S/C21H30N6/c1-7-11-26(12-8-2)19-13-15(3)23-21-20(16(4)24-27(19)21)17-9-10-18(22-14-17)25(5)6/h9-10,13-14H,7-8,11-12H2,1-6H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Binding affinity to CRFR1 by autoradiography				Bioorg Med Chem Lett 22: 6651-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.112 BindingDB Entry DOI: 10.7270/Q20C4WWB
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM86192 (CAS_197801-88-0 | CHEMBL2165203 | SN003) Show SMILES CCC(COC)n1nnc2c(Nc3ccc(OC)cc3C)nc(C)cc12 Show InChI InChI=1S/C19H25N5O2/c1-6-14(11-25-4)24-17-10-13(3)20-19(18(17)22-23-24)21-16-8-7-15(26-5)9-12(16)2/h7-10,14H,6,11H2,1-5H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Binding affinity to CRFR1 by autoradiography				Bioorg Med Chem Lett 22: 6651-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.112 BindingDB Entry DOI: 10.7270/Q20C4WWB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288117 (CHEMBL83756 | {2-[2-(4-Fluoro-phenyl)-ethyl]-7-[me...) Show SMILES CN(CCC1CCNCC1)C(=O)c1ccc2CN(CCc3ccc(F)cc3)C(=O)C(CC(O)=O)Cc2c1 Show InChI InChI=1S/C29H36FN3O4/c1-32(14-10-21-8-12-31-13-9-21)28(36)22-4-5-23-19-33(15-11-20-2-6-26(30)7-3-20)29(37)25(18-27(34)35)17-24(23)16-22/h2-7,16,21,25,31H,8-15,17-19H2,1H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against human alpha IIb beta3 integrin				Bioorg Med Chem Lett 6: 2481-2486 (1996) Article DOI: 10.1016/0960-894X(96)00432-5 BindingDB Entry DOI: 10.7270/Q25M65Q4
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50395823 (CHEMBL2165205) Show SMILES COCCN(CCOC)Cc1cc(C)nc2c(c(C)nn12)-c1ccc(Cl)cc1Cl |(25.82,-9.73,;27.14,-10.52,;27.12,-12.06,;25.77,-12.81,;25.76,-14.34,;27.09,-15.12,;28.43,-14.35,;29.76,-15.12,;31.1,-14.36,;24.43,-15.12,;24.44,-16.66,;23.11,-17.43,;23.11,-18.97,;21.78,-19.74,;24.44,-19.74,;25.78,-18.97,;27.25,-19.46,;28.17,-18.2,;29.7,-18.19,;27.25,-16.94,;25.78,-17.42,;27.99,-20.8,;27.19,-22.11,;27.92,-23.47,;29.46,-23.5,;30.21,-24.85,;30.26,-22.17,;29.52,-20.83,;30.32,-19.51,)| Show InChI InChI=1S/C21H26Cl2N4O2/c1-14-11-17(13-26(7-9-28-3)8-10-29-4)27-21(24-14)20(15(2)25-27)18-6-5-16(22)12-19(18)23/h5-6,11-12H,7-10,13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Binding affinity to CRFR1 by autoradiography				Bioorg Med Chem Lett 22: 6651-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.112 BindingDB Entry DOI: 10.7270/Q20C4WWB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50074030 (CHEMBL356020 | {8-[Methyl-(2-piperidin-4-yl-ethyl)...) Show SMILES CN(CCC1CCNCC1)C(=O)c1ccc2CN(CCc3ccccc3)C(=O)C(CC(O)=O)Nc2c1 Show InChI InChI=1S/C28H36N4O4/c1-31(15-11-21-9-13-29-14-10-21)27(35)22-7-8-23-19-32(16-12-20-5-3-2-4-6-20)28(36)25(18-26(33)34)30-24(23)17-22/h2-8,17,21,25,29-30H,9-16,18-19H2,1H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human...				J Med Chem 42: 545-59 (1999) Article DOI: 10.1021/jm980166z BindingDB Entry DOI: 10.7270/Q2QZ295H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50074029 (CHEMBL153162 | [8-(4-Carbamimidoyl-benzoylamino)-3...) Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2CN(CCc3ccccc3)C(=O)C(CC(O)=O)Nc2c1 Show InChI InChI=1S/C27H27N5O4/c28-25(29)18-6-8-19(9-7-18)26(35)30-21-11-10-20-16-32(13-12-17-4-2-1-3-5-17)27(36)23(15-24(33)34)31-22(20)14-21/h1-11,14,23,31H,12-13,15-16H2,(H3,28,29)(H,30,35)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human...				J Med Chem 42: 545-59 (1999) Article DOI: 10.1021/jm980166z BindingDB Entry DOI: 10.7270/Q2QZ295H
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Homo sapiens (Human))	BDBM50395822 (CHEMBL1762817) Show SMILES COCCN(CCOC)c1nc(C)nc2c(c(C)nn12)-c1ccc(Br)cc1Cl |(-.62,5.04,;-1.96,5.81,;-3.29,5.03,;-4.63,5.8,;-5.96,5.03,;-7.29,5.79,;-8.63,5.02,;-9.96,5.78,;-11.29,5.01,;-5.95,3.49,;-7.28,2.71,;-7.28,1.17,;-8.62,.4,;-5.95,.4,;-4.62,1.17,;-3.14,.69,;-2.23,1.95,;-.69,1.95,;-3.14,3.2,;-4.62,2.72,;-2.34,-.61,;-3.16,-1.92,;-2.44,-3.28,;-.9,-3.34,;-.17,-4.69,;-.08,-2.02,;-.8,-.67,;.01,.64,)| Show InChI InChI=1S/C19H23BrClN5O2/c1-12-17(15-6-5-14(20)11-16(15)21)18-22-13(2)23-19(26(18)24-12)25(7-9-27-3)8-10-28-4/h5-6,11H,7-10H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Binding affinity to CRFR1 by autoradiography				Bioorg Med Chem Lett 22: 6651-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.112 BindingDB Entry DOI: 10.7270/Q20C4WWB
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288114 (CHEMBL312409 | {2-Isopropyl-7-[methyl-(2-piperidin...) Show SMILES CC(C)N1Cc2ccc(cc2CC(CC(O)=O)C1=O)C(=O)N(C)CCC1CCNCC1 Show InChI InChI=1S/C24H35N3O4/c1-16(2)27-15-19-5-4-18(12-20(19)13-21(24(27)31)14-22(28)29)23(30)26(3)11-8-17-6-9-25-10-7-17/h4-5,12,16-17,21,25H,6-11,13-15H2,1-3H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against human alpha IIb beta3 integrin				Bioorg Med Chem Lett 6: 2481-2486 (1996) Article DOI: 10.1016/0960-894X(96)00432-5 BindingDB Entry DOI: 10.7270/Q25M65Q4
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288110 (CHEMBL84063 | {2-(3,3-Dimethyl-butyl)-7-[methyl-(2...) Show SMILES CN(CCC1CCNCC1)C(=O)c1ccc2CN(CCC(C)(C)C)C(=O)C(CC(O)=O)Cc2c1 Show InChI InChI=1S/C27H41N3O4/c1-27(2,3)10-14-30-18-21-6-5-20(15-22(21)16-23(26(30)34)17-24(31)32)25(33)29(4)13-9-19-7-11-28-12-8-19/h5-6,15,19,23,28H,7-14,16-18H2,1-4H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against human alpha IIb beta3 integrin				Bioorg Med Chem Lett 6: 2481-2486 (1996) Article DOI: 10.1016/0960-894X(96)00432-5 BindingDB Entry DOI: 10.7270/Q25M65Q4
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50074044 (CHEMBL152156 | [(S)-8-(4-Carbamimidoyl-phenylcarba...) Show SMILES NC(=N)c1ccc(NC(=O)c2ccc3CN(CCc4ccccc4)C(=O)[C@H](CC(O)=O)Nc3c2)cc1 Show InChI InChI=1S/C27H27N5O4/c28-25(29)18-8-10-21(11-9-18)30-26(35)19-6-7-20-16-32(13-12-17-4-2-1-3-5-17)27(36)23(15-24(33)34)31-22(20)14-19/h1-11,14,23,31H,12-13,15-16H2,(H3,28,29)(H,30,35)(H,33,34)/t23-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human...				J Med Chem 42: 545-59 (1999) Article DOI: 10.1021/jm980166z BindingDB Entry DOI: 10.7270/Q2QZ295H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288113 (CHEMBL311696 | [7-[Methyl-(2-piperidin-4-yl-ethyl)...) Show SMILES CN(CCC1CCNCC1)C(=O)c1ccc2CN(CCCCCc3ccccc3)C(=O)C(CC(O)=O)Cc2c1 Show InChI InChI=1S/C32H43N3O4/c1-34(19-15-25-13-16-33-17-14-25)31(38)26-11-12-27-23-35(18-7-3-6-10-24-8-4-2-5-9-24)32(39)29(22-30(36)37)21-28(27)20-26/h2,4-5,8-9,11-12,20,25,29,33H,3,6-7,10,13-19,21-23H2,1H3,(H,36,37)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against human alpha IIb beta3 integrin				Bioorg Med Chem Lett 6: 2481-2486 (1996) Article DOI: 10.1016/0960-894X(96)00432-5 BindingDB Entry DOI: 10.7270/Q25M65Q4
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288108 (CHEMBL82727 | {2-(2-Cyclohexyl-ethyl)-7-[methyl-(2...) Show SMILES CN(CCC1CCNCC1)C(=O)c1ccc2CN(CCC3CCCCC3)C(=O)C(CC(O)=O)Cc2c1 Show InChI InChI=1S/C29H43N3O4/c1-31(15-11-22-9-13-30-14-10-22)28(35)23-7-8-24-20-32(16-12-21-5-3-2-4-6-21)29(36)26(19-27(33)34)18-25(24)17-23/h7-8,17,21-22,26,30H,2-6,9-16,18-20H2,1H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against human alpha IIb beta3 integrin				Bioorg Med Chem Lett 6: 2481-2486 (1996) Article DOI: 10.1016/0960-894X(96)00432-5 BindingDB Entry DOI: 10.7270/Q25M65Q4
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288121 (CHEMBL310875 | {7-[Methyl-(2-piperidin-4-yl-ethyl)...) Show SMILES CN(CCC1CCNCC1)C(=O)c1ccc2CN(CCc3cccs3)C(=O)C(CC(O)=O)Cc2c1 Show InChI InChI=1S/C27H35N3O4S/c1-29(12-8-19-6-10-28-11-7-19)26(33)20-4-5-21-18-30(13-9-24-3-2-14-35-24)27(34)23(17-25(31)32)16-22(21)15-20/h2-5,14-15,19,23,28H,6-13,16-18H2,1H3,(H,31,32)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against human alpha IIb beta3 integrin				Bioorg Med Chem Lett 6: 2481-2486 (1996) Article DOI: 10.1016/0960-894X(96)00432-5 BindingDB Entry DOI: 10.7270/Q25M65Q4
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50036089 (CHEMBL18288 | [8-(4-Carbamimidoyl-phenylcarbamoyl)...) Show SMILES NC(=N)c1ccc(NC(=O)c2ccc3CN(CCc4ccccc4)C(=O)C(CC(O)=O)Nc3c2)cc1 Show InChI InChI=1S/C27H27N5O4/c28-25(29)18-8-10-21(11-9-18)30-26(35)19-6-7-20-16-32(13-12-17-4-2-1-3-5-17)27(36)23(15-24(33)34)31-22(20)14-19/h1-11,14,23,31H,12-13,15-16H2,(H3,28,29)(H,30,35)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human...				J Med Chem 42: 545-59 (1999) Article DOI: 10.1021/jm980166z BindingDB Entry DOI: 10.7270/Q2QZ295H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50036089 (CHEMBL18288 | [8-(4-Carbamimidoyl-phenylcarbamoyl)...) Show SMILES NC(=N)c1ccc(NC(=O)c2ccc3CN(CCc4ccccc4)C(=O)C(CC(O)=O)Nc3c2)cc1 Show InChI InChI=1S/C27H27N5O4/c28-25(29)18-8-10-21(11-9-18)30-26(35)19-6-7-20-16-32(13-12-17-4-2-1-3-5-17)27(36)23(15-24(33)34)31-22(20)14-19/h1-11,14,23,31H,12-13,15-16H2,(H3,28,29)(H,30,35)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against human alpha IIb beta3 integrin				Bioorg Med Chem Lett 6: 2481-2486 (1996) Article DOI: 10.1016/0960-894X(96)00432-5 BindingDB Entry DOI: 10.7270/Q25M65Q4
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288112 (CHEMBL79425 | {7-[Methyl-(2-piperidin-4-yl-ethyl)-...) Show SMILES CN(CCC1CCNCC1)C(=O)c1ccc2CN(CCc3ccccc3)C(=O)C(CC(O)=O)Cc2c1 Show InChI InChI=1S/C29H37N3O4/c1-31(15-11-22-9-13-30-14-10-22)28(35)23-7-8-24-20-32(16-12-21-5-3-2-4-6-21)29(36)26(19-27(33)34)18-25(24)17-23/h2-8,17,22,26,30H,9-16,18-20H2,1H3,(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against human alpha IIb beta3 integrin				Bioorg Med Chem Lett 6: 2481-2486 (1996) Article DOI: 10.1016/0960-894X(96)00432-5 BindingDB Entry DOI: 10.7270/Q25M65Q4
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288111 (CHEMBL419838 | {7-[Methyl-(2-piperidin-4-yl-ethyl)...) Show SMILES CN(CCC1CCNCC1)C(=O)c1ccc2CNC(=O)C(CC(O)=O)Cc2c1 Show InChI InChI=1S/C21H29N3O4/c1-24(9-6-14-4-7-22-8-5-14)21(28)15-2-3-16-13-23-20(27)18(12-19(25)26)11-17(16)10-15/h2-3,10,14,18,22H,4-9,11-13H2,1H3,(H,23,27)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against human alpha IIb beta3 integrin				Bioorg Med Chem Lett 6: 2481-2486 (1996) Article DOI: 10.1016/0960-894X(96)00432-5 BindingDB Entry DOI: 10.7270/Q25M65Q4
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50074033 (CHEMBL151190 | [3-Oxo-4-phenethyl-8-(2-piperidin-4...) Show SMILES OC(=O)CC1Nc2cc(ccc2CN(CCc2ccccc2)C1=O)C(=O)NCCC1CCNCC1 Show InChI InChI=1S/C27H34N4O4/c32-25(33)17-24-27(35)31(15-11-19-4-2-1-3-5-19)18-22-7-6-21(16-23(22)30-24)26(34)29-14-10-20-8-12-28-13-9-20/h1-7,16,20,24,28,30H,8-15,17-18H2,(H,29,34)(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human...				J Med Chem 42: 545-59 (1999) Article DOI: 10.1021/jm980166z BindingDB Entry DOI: 10.7270/Q2QZ295H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50074031 (CHEMBL153802 | [3-Oxo-4-phenethyl-8-((E)-4-piperid...) Show SMILES OC(=O)CC1Nc2cc(\C=C\CCC3CCNCC3)ccc2CN(CCc2ccccc2)C1=O Show InChI InChI=1S/C28H35N3O3/c32-27(33)19-26-28(34)31(17-14-21-6-2-1-3-7-21)20-24-11-10-23(18-25(24)30-26)9-5-4-8-22-12-15-29-16-13-22/h1-3,5-7,9-11,18,22,26,29-30H,4,8,12-17,19-20H2,(H,32,33)/b9-5+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human...				J Med Chem 42: 545-59 (1999) Article DOI: 10.1021/jm980166z BindingDB Entry DOI: 10.7270/Q2QZ295H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50074039 (CHEMBL265798 | [3-Oxo-4-phenethyl-8-(4-piperidin-4...) Show SMILES OC(=O)CC1Nc2cc(CCCCC3CCNCC3)ccc2CN(CCc2ccccc2)C1=O Show InChI InChI=1S/C28H37N3O3/c32-27(33)19-26-28(34)31(17-14-21-6-2-1-3-7-21)20-24-11-10-23(18-25(24)30-26)9-5-4-8-22-12-15-29-16-13-22/h1-3,6-7,10-11,18,22,26,29-30H,4-5,8-9,12-17,19-20H2,(H,32,33)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human...				J Med Chem 42: 545-59 (1999) Article DOI: 10.1021/jm980166z BindingDB Entry DOI: 10.7270/Q2QZ295H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50074042 (3-[7-(4-Carbamimidoyl-benzoylamino)-3-oxo-1,2,3,5-...) Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2NCC(=O)N(CCC(O)=O)Cc2c1 Show InChI InChI=1S/C20H21N5O4/c21-19(22)12-1-3-13(4-2-12)20(29)24-15-5-6-16-14(9-15)11-25(8-7-18(27)28)17(26)10-23-16/h1-6,9,23H,7-8,10-11H2,(H3,21,22)(H,24,29)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human...				J Med Chem 42: 545-59 (1999) Article DOI: 10.1021/jm980166z BindingDB Entry DOI: 10.7270/Q2QZ295H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50074047 (CHEMBL153083 | [(R)-8-(4-Carbamimidoyl-phenylcarba...) Show SMILES NC(=N)c1ccc(NC(=O)c2ccc3CN(CCc4ccccc4)C(=O)[C@@H](CC(O)=O)Nc3c2)cc1 Show InChI InChI=1S/C27H27N5O4/c28-25(29)18-8-10-21(11-9-18)30-26(35)19-6-7-20-16-32(13-12-17-4-2-1-3-5-17)27(36)23(15-24(33)34)31-22(20)14-19/h1-11,14,23,31H,12-13,15-16H2,(H3,28,29)(H,30,35)(H,33,34)/t23-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human...				J Med Chem 42: 545-59 (1999) Article DOI: 10.1021/jm980166z BindingDB Entry DOI: 10.7270/Q2QZ295H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50074034 (CHEMBL152648 | [8-(4-Carbamimidoyl-phenylcarbamoyl...) Show SMILES NC(=N)c1ccc(NC(=O)c2ccc3CN(CCc4ccccc4)CC(CC(O)=O)Nc3c2)cc1 Show InChI InChI=1S/C27H29N5O3/c28-26(29)19-8-10-22(11-9-19)31-27(35)20-6-7-21-16-32(13-12-18-4-2-1-3-5-18)17-23(15-25(33)34)30-24(21)14-20/h1-11,14,23,30H,12-13,15-17H2,(H3,28,29)(H,31,35)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human...				J Med Chem 42: 545-59 (1999) Article DOI: 10.1021/jm980166z BindingDB Entry DOI: 10.7270/Q2QZ295H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50074046 (2-[3-(4-Carbamimidoyl-phenylcarbamoyl)-phenylamino...) Show SMILES NC(=N)c1ccc(NC(=O)c2cccc(NC(CC(O)=O)C(O)=O)c2)cc1 Show InChI InChI=1S/C18H18N4O5/c19-16(20)10-4-6-12(7-5-10)22-17(25)11-2-1-3-13(8-11)21-14(18(26)27)9-15(23)24/h1-8,14,21H,9H2,(H3,19,20)(H,22,25)(H,23,24)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human...				J Med Chem 42: 545-59 (1999) Article DOI: 10.1021/jm980166z BindingDB Entry DOI: 10.7270/Q2QZ295H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50288116 (3-{7-[Methyl-(2-piperidin-4-yl-ethyl)-carbamoyl]-3...) Show SMILES CN(CCC1CCNCC1)C(=O)c1ccc2CN(CCc3ccccc3)C(=O)C(CCC(O)=O)Cc2c1 Show InChI InChI=1S/C30H39N3O4/c1-32(17-13-23-11-15-31-16-12-23)29(36)24-7-8-26-21-33(18-14-22-5-3-2-4-6-22)30(37)25(9-10-28(34)35)20-27(26)19-24/h2-8,19,23,25,31H,9-18,20-21H2,1H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro binding affinity against human alpha IIb beta3 integrin				Bioorg Med Chem Lett 6: 2481-2486 (1996) Article DOI: 10.1016/0960-894X(96)00432-5 BindingDB Entry DOI: 10.7270/Q25M65Q4
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50074043 (CHEMBL152015 | [3-Oxo-4-phenethyl-8-((Z)-4-piperid...) Show SMILES OC(=O)CC1Nc2cc(\C=C/CCC3CCNCC3)ccc2CN(CCc2ccccc2)C1=O Show InChI InChI=1S/C28H35N3O3/c32-27(33)19-26-28(34)31(17-14-21-6-2-1-3-7-21)20-24-11-10-23(18-25(24)30-26)9-5-4-8-22-12-15-29-16-13-22/h1-3,5-7,9-11,18,22,26,29-30H,4,8,12-17,19-20H2,(H,32,33)/b9-5-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human...				J Med Chem 42: 545-59 (1999) Article DOI: 10.1021/jm980166z BindingDB Entry DOI: 10.7270/Q2QZ295H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50074045 (CHEMBL435833 | [8-(4-Carbamimidoyl-phenylcarbamoyl...) Show SMILES NC(=N)c1ccc(NC(=O)c2ccc3c(NC(CC(O)=O)CN(CCc4ccccc4)C3=O)c2)cc1 Show InChI InChI=1S/C27H27N5O4/c28-25(29)18-6-9-20(10-7-18)31-26(35)19-8-11-22-23(14-19)30-21(15-24(33)34)16-32(27(22)36)13-12-17-4-2-1-3-5-17/h1-11,14,21,30H,12-13,15-16H2,(H3,28,29)(H,31,35)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human...				J Med Chem 42: 545-59 (1999) Article DOI: 10.1021/jm980166z BindingDB Entry DOI: 10.7270/Q2QZ295H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50074040 (CHEMBL154864 | [7-(4-Carbamimidoyl-benzoylamino)-3...) Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2NCC(=O)N(CC(O)=O)Cc2c1 Show InChI InChI=1S/C19H19N5O4/c20-18(21)11-1-3-12(4-2-11)19(28)23-14-5-6-15-13(7-14)9-24(10-17(26)27)16(25)8-22-15/h1-7,22H,8-10H2,(H3,20,21)(H,23,28)(H,26,27)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human...				J Med Chem 42: 545-59 (1999) Article DOI: 10.1021/jm980166z BindingDB Entry DOI: 10.7270/Q2QZ295H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50074036 (CHEMBL356819 | [8-(4-Carbamimidoyl-phenylcarbamoyl...) Show SMILES NC(=N)c1ccc(NC(=O)c2ccc3CCCC(CC(O)=O)Nc3c2)cc1 Show InChI InChI=1S/C20H22N4O3/c21-19(22)13-6-8-15(9-7-13)24-20(27)14-5-4-12-2-1-3-16(11-18(25)26)23-17(12)10-14/h4-10,16,23H,1-3,11H2,(H3,21,22)(H,24,27)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human...				J Med Chem 42: 545-59 (1999) Article DOI: 10.1021/jm980166z BindingDB Entry DOI: 10.7270/Q2QZ295H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50074037 (CHEMBL152786 | [8-(4-Carbamimidoyl-benzoylamino)-3...) Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2CNC(=O)N(CC(O)=O)Cc2c1 Show InChI InChI=1S/C19H19N5O4/c20-17(21)11-1-3-12(4-2-11)18(27)23-15-6-5-13-8-22-19(28)24(10-16(25)26)9-14(13)7-15/h1-7H,8-10H2,(H3,20,21)(H,22,28)(H,23,27)(H,25,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human...				J Med Chem 42: 545-59 (1999) Article DOI: 10.1021/jm980166z BindingDB Entry DOI: 10.7270/Q2QZ295H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50074041 (CHEMBL152354 | [8-(4-Carbamimidoyl-benzoylamino)-5...) Show SMILES NC(=N)c1ccc(cc1)C(=O)Nc1ccc2c(NC(CC(O)=O)CN(CCc3ccccc3)C2=O)c1 Show InChI InChI=1S/C27H27N5O4/c28-25(29)18-6-8-19(9-7-18)26(35)31-20-10-11-22-23(14-20)30-21(15-24(33)34)16-32(27(22)36)13-12-17-4-2-1-3-5-17/h1-11,14,21,30H,12-13,15-16H2,(H3,28,29)(H,31,35)(H,33,34)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.49E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human...				J Med Chem 42: 545-59 (1999) Article DOI: 10.1021/jm980166z BindingDB Entry DOI: 10.7270/Q2QZ295H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50074038 (3-{8-[(4-Carbamimidoyl-phenyl)-methyl-carbamoyl]-3...) Show SMILES CN(C(=O)c1ccc2CCC(=O)N(CCC(O)=O)Cc2c1)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C22H24N4O4/c1-25(18-7-4-15(5-8-18)21(23)24)22(30)16-3-2-14-6-9-19(27)26(11-10-20(28)29)13-17(14)12-16/h2-5,7-8,12H,6,9-11,13H2,1H3,(H3,23,24)(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.25E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human...				J Med Chem 42: 545-59 (1999) Article DOI: 10.1021/jm980166z BindingDB Entry DOI: 10.7270/Q2QZ295H
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50074032 (CHEMBL358645 | {8-[(4-Carbamimidoyl-phenyl)-methyl...) Show SMILES CN(C(=O)c1ccc2CCC(=O)N(CC(O)=O)Cc2c1)c1ccc(cc1)C(N)=N Show InChI InChI=1S/C21H22N4O4/c1-24(17-7-4-14(5-8-17)20(22)23)21(29)15-3-2-13-6-9-18(26)25(12-19(27)28)11-16(13)10-15/h2-5,7-8,10H,6,9,11-12H2,1H3,(H3,22,23)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Fibrinogen receptor binding affinity was determined by assaying for inhibition of [3H]-1 binding to purified Fibrinogen Receptor isolated from human...				J Med Chem 42: 545-59 (1999) Article DOI: 10.1021/jm980166z BindingDB Entry DOI: 10.7270/Q2QZ295H
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50485806 (CHEMBL2164125) Show SMILES COc1ccc(CN([C@H](CC(C)C)C(N)=O)S(=O)(=O)c2ccc(Cl)cc2)cc1 |r| Show InChI InChI=1S/C20H25ClN2O4S/c1-14(2)12-19(20(22)24)23(13-15-4-8-17(27-3)9-5-15)28(25,26)18-10-6-16(21)7-11-18/h4-11,14,19H,12-13H2,1-3H3,(H2,22,24)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.190	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Inhibition of human gamma-secretase expressed in IMR32 cell membranes using MBPC-125 Swedish as substrate assessed as inhibition of amyloid beta40 pr...				Bioorg Med Chem Lett 22: 6828-31 (2012) Article DOI: 10.1016/j.bmcl.2012.09.057 BindingDB Entry DOI: 10.7270/Q2RJ4NBT
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477923 (CHEMBL437977) Show SMILES C[C@H](CCCNS(C)(=O)=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H24Cl2N2O5S2/c1-14(4-3-11-22-29(2,25)26)23(19-12-17(21)6-5-15(19)13-24)30(27,28)18-9-7-16(20)8-10-18/h5-10,12,14,22,24H,3-4,11,13H2,1-2H3/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.230	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50293912 ((R)-5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(4...) Show SMILES COC[C@@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O |r| Show InChI InChI=1S/C19H24ClN3O3/c1-11-8-16(26-4)12(2)7-14(11)21-18-19(24)23(9-17(20)22-18)15(10-25-3)13-5-6-13/h7-9,13,15H,5-6,10H2,1-4H3,(H,21,22)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [125I]-o-CRF from CRFR1 in rat frontal cortex after 2 hrs by gamma counter				Bioorg Med Chem Lett 22: 6651-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.112 BindingDB Entry DOI: 10.7270/Q20C4WWB
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM29012 (N-[(4R)-4-{[5-chloro-2-(hydroxymethyl)phenyl](4-ch...) Show SMILES C[C@H](CCCN(C)S(C)(=O)=O)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C20H26Cl2N2O5S2/c1-15(5-4-12-23(2)30(3,26)27)24(20-13-18(22)7-6-16(20)14-25)31(28,29)19-10-8-17(21)9-11-19/h6-11,13,15,25H,4-5,12,14H2,1-3H3/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM29013 (4-chloro-N-[5-chloro-2-(hydroxymethyl)phenyl]-N-[(...) Show SMILES C[C@H](CCCn1cnnn1)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C19H21Cl2N5O3S/c1-14(3-2-10-25-13-22-23-24-25)26(19-11-17(21)5-4-15(19)12-27)30(28,29)18-8-6-16(20)7-9-18/h4-9,11,13-14,27H,2-3,10,12H2,1H3/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477936 (CHEMBL252052) Show SMILES C[C@H](CCCn1nnnc1N(C)C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H26Cl2N6O3S/c1-15(5-4-12-28-21(27(2)3)24-25-26-28)29(20-13-18(23)7-6-16(20)14-30)33(31,32)19-10-8-17(22)9-11-19/h6-11,13,15,30H,4-5,12,14H2,1-3H3/t15-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair
Corticotropin-releasing factor receptor 1 (Rattus norvegicus (rat))	BDBM50395826 (CHEMBL2165202) Show SMILES COCC(COC)n1cc(Br)nc(Nc2cc(C)c(OC)cc2C)c1=O Show InChI InChI=1S/C18H24BrN3O4/c1-11-7-15(26-5)12(2)6-14(11)20-17-18(23)22(8-16(19)21-17)13(9-24-3)10-25-4/h6-8,13H,9-10H2,1-5H3,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.680	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Co. Curated by ChEMBL					Assay Description Displacement of [125I]-o-CRF from CRFR1 in rat frontal cortex after 2 hrs by gamma counter				Bioorg Med Chem Lett 22: 6651-5 (2012) Article DOI: 10.1016/j.bmcl.2012.08.112 BindingDB Entry DOI: 10.7270/Q20C4WWB
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50477922 (CHEMBL252051) Show SMILES C[C@H](CCCn1nnnc1C)N(c1cc(Cl)ccc1CO)S(=O)(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H23Cl2N5O3S/c1-14(4-3-11-26-15(2)23-24-25-26)27(20-12-18(22)6-5-16(20)13-28)31(29,30)19-9-7-17(21)8-10-19/h5-10,12,14,28H,3-4,11,13H2,1-2H3/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Curated by ChEMBL					Assay Description Inhibition of human gamma secretase in H4 cells assessed as reduction of amyloid beta-40 levels				Bioorg Med Chem Lett 18: 175-8 (2008) Article DOI: 10.1016/j.bmcl.2007.10.105 BindingDB Entry DOI: 10.7270/Q2K0772B
					More data for this Ligand-Target Pair

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