Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'feuerstein' and Initial = 'g'   

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))	BDBM50054826 (CHEMBL144474 | [7-([4,4']Bipiperidinyl-1-carbonyl)...) Show SMILES OC(=O)CC1Nc2ccc(cc2CN(CCc2ccccc2)C1=O)C(=O)N1CCC(CC1)C1CCNCC1 Show InChI InChI=1S/C30H38N4O4/c35-28(36)19-27-30(38)34(15-10-21-4-2-1-3-5-21)20-25-18-24(6-7-26(25)32-27)29(37)33-16-11-23(12-17-33)22-8-13-31-14-9-22/h1-7,18,22-23,27,31-32H,8-17,19-20H2,(H,35,36)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets				J Med Chem 39: 4867-70 (1997) Article DOI: 10.1021/jm960558a BindingDB Entry DOI: 10.7270/Q2GH9H16
					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 Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets				J Med Chem 39: 4867-70 (1997) Article DOI: 10.1021/jm960558a BindingDB Entry DOI: 10.7270/Q2GH9H16
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50054830 (CHEMBL356986 | [(R)-7-([4,4']Bipiperidinyl-1-carbo...) Show SMILES CN1Cc2cc(ccc2N[C@H](CC(O)=O)C1=O)C(=O)N1CCC(CC1)C1CCNCC1 Show InChI InChI=1S/C23H32N4O4/c1-26-14-18-12-17(2-3-19(18)25-20(23(26)31)13-21(28)29)22(30)27-10-6-16(7-11-27)15-4-8-24-9-5-15/h2-3,12,15-16,20,24-25H,4-11,13-14H2,1H3,(H,28,29)/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets				J Med Chem 39: 4867-70 (1997) Article DOI: 10.1021/jm960558a BindingDB Entry DOI: 10.7270/Q2GH9H16
					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 Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets				J Med Chem 39: 4867-70 (1997) Article DOI: 10.1021/jm960558a BindingDB Entry DOI: 10.7270/Q2GH9H16
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50036088 (CHEMBL18734 | [(6S,13S)-13-(3-Guanidino-propyl)-14...) Show SMILES CN1[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)Nc2ccccc2SSc2ccccc2C1=O Show InChI InChI=1S/C26H31N7O6S2/c1-33-18(9-6-12-29-26(27)28)24(38)30-14-21(34)31-17(13-22(35)36)23(37)32-16-8-3-5-11-20(16)41-40-19-10-4-2-7-15(19)25(33)39/h2-5,7-8,10-11,17-18H,6,9,12-14H2,1H3,(H,30,38)(H,31,34)(H,32,37)(H,35,36)(H4,27,28,29)/t17-,18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets				J Med Chem 39: 4867-70 (1997) Article DOI: 10.1021/jm960558a BindingDB Entry DOI: 10.7270/Q2GH9H16
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50054831 (CHEMBL143219 | [7-([4,4']Bipiperidinyl-1-carbonyl)...) Show SMILES CN1Cc2cc(ccc2NC(CC(O)=O)C1=O)C(=O)N1CCC(CC1)C1CCNCC1 Show InChI InChI=1S/C23H32N4O4/c1-26-14-18-12-17(2-3-19(18)25-20(23(26)31)13-21(28)29)22(30)27-10-6-16(7-11-27)15-4-8-24-9-5-15/h2-3,12,15-16,20,24-25H,4-11,13-14H2,1H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	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 Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets				J Med Chem 39: 4867-70 (1997) Article DOI: 10.1021/jm960558a BindingDB Entry DOI: 10.7270/Q2GH9H16
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50054824 (CHEMBL144681 | {7-[Methyl-(3-piperidin-4-yl-propyl...) Show SMILES CN(CCCC1CCNCC1)C(=O)c1ccc2NC(CC(O)=O)C(=O)N(CCc3ccccc3)Cc2c1 Show InChI InChI=1S/C29H38N4O4/c1-32(16-5-8-22-11-14-30-15-12-22)28(36)23-9-10-25-24(18-23)20-33(17-13-21-6-3-2-4-7-21)29(37)26(31-25)19-27(34)35/h2-4,6-7,9-10,18,22,26,30-31H,5,8,11-17,19-20H2,1H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets				J Med Chem 39: 4867-70 (1997) Article DOI: 10.1021/jm960558a BindingDB Entry DOI: 10.7270/Q2GH9H16
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50054829 (CHEMBL306110 | [7-(3-Carbamimidoyl-phenylcarbamoyl...) Show SMILES NC(=N)c1cccc(NC(=O)c2ccc3NC(CC(O)=O)C(=O)N(CCc4ccccc4)Cc3c2)c1 Show InChI InChI=1S/C27H27N5O4/c28-25(29)18-7-4-8-21(14-18)30-26(35)19-9-10-22-20(13-19)16-32(12-11-17-5-2-1-3-6-17)27(36)23(31-22)15-24(33)34/h1-10,13-14,23,31H,11-12,15-16H2,(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 Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets				J Med Chem 39: 4867-70 (1997) Article DOI: 10.1021/jm960558a BindingDB Entry DOI: 10.7270/Q2GH9H16
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50054828 (CHEMBL143394 | {7-[(3-Carbamimidoyl-phenyl)-methyl...) Show SMILES CN(C(=O)c1ccc2NC(CC(O)=O)C(=O)N(CCc3ccccc3)Cc2c1)c1cccc(c1)C(N)=N Show InChI InChI=1S/C28H29N5O4/c1-32(22-9-5-8-19(15-22)26(29)30)27(36)20-10-11-23-21(14-20)17-33(13-12-18-6-3-2-4-7-18)28(37)24(31-23)16-25(34)35/h2-11,14-15,24,31H,12-13,16-17H2,1H3,(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	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 Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets				J Med Chem 39: 4867-70 (1997) Article DOI: 10.1021/jm960558a BindingDB Entry DOI: 10.7270/Q2GH9H16
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50054825 (CHEMBL356301 | [(S)-7-([4,4']Bipiperidinyl-1-carbo...) Show SMILES CN1Cc2cc(ccc2N[C@@H](CC(O)=O)C1=O)C(=O)N1CCC(CC1)C1CCNCC1 Show InChI InChI=1S/C23H32N4O4/c1-26-14-18-12-17(2-3-19(18)25-20(23(26)31)13-21(28)29)22(30)27-10-6-16(7-11-27)15-4-8-24-9-5-15/h2-3,12,15-16,20,24-25H,4-11,13-14H2,1H3,(H,28,29)/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.53E+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 Inhibition of binding to purified integrin alphaIIb-beta3 of human platelets				J Med Chem 39: 4867-70 (1997) Article DOI: 10.1021/jm960558a BindingDB Entry DOI: 10.7270/Q2GH9H16
					More data for this Ligand-Target Pair				3D Structure (crystal)