Compile Data Set for Download or QSAR

Found 33 hits with Last Name = 'nagy' and Initial = 'rm'   

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-V/beta-3 (Homo sapiens (Human))	BDBM50092512 (2-Benzenesulfonylamino-3-{4-[2-(5,6,7,8-tetrahydro...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCc2ccc3CCCNc3n2)cc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H28N4O5S/c31-25(28-17-23(26(32)33)30-36(34,35)22-6-2-1-3-7-22)20-11-8-18(9-12-20)10-14-21-15-13-19-5-4-16-27-24(19)29-21/h1-3,6-9,11-13,15,23,30H,4-5,10,14,16-17H2,(H,27,29)(H,28,31)(H,32,33)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092511 (3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoylamino...) Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccc(I)cc2)C(O)=O)n1 Show InChI InChI=1S/C23H23IN4O5S/c24-17-9-12-19(13-10-17)34(32,33)28-20(23(30)31)14-26-22(29)16-7-4-15(5-8-16)6-11-18-2-1-3-21(25)27-18/h1-5,7-10,12-13,20,28H,6,11,14H2,(H2,25,27)(H,26,29)(H,30,31)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.0800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092511 (3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoylamino...) Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccc(I)cc2)C(O)=O)n1 Show InChI InChI=1S/C23H23IN4O5S/c24-17-9-12-19(13-10-17)34(32,33)28-20(23(30)31)14-26-22(29)16-7-4-15(5-8-16)6-11-18-2-1-3-21(25)27-18/h1-5,7-10,12-13,20,28H,6,11,14H2,(H2,25,27)(H,26,29)(H,30,31)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092512 (2-Benzenesulfonylamino-3-{4-[2-(5,6,7,8-tetrahydro...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(CCc2ccc3CCCNc3n2)cc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C26H28N4O5S/c31-25(28-17-23(26(32)33)30-36(34,35)22-6-2-1-3-7-22)20-11-8-18(9-12-20)10-14-21-15-13-19-5-4-16-27-24(19)29-21/h1-3,6-9,11-13,15,23,30H,4-5,10,14,16-17H2,(H,27,29)(H,28,31)(H,32,33)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107397 ((S)-3-(2-{(S)-2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C24H29N5O4/c30-21(28-20(13-22(31)32)18-4-1-10-25-14-18)15-29-12-9-17(24(29)33)6-8-19-7-5-16-3-2-11-26-23(16)27-19/h1,4-5,7,10,14,17,20H,2-3,6,8-9,11-13,15H2,(H,26,27)(H,28,30)(H,31,32)/t17-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.350	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rate of ADP-stimulated gel-filtered human platelet aggregation mediated by integrin alphaIIb beta-3 in PLAGGIN assay				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092509 ((S)-3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoyla...) Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(O)=O)n1 Show InChI InChI=1S/C23H24N4O5S/c24-21-8-4-5-18(26-21)14-11-16-9-12-17(13-10-16)22(28)25-15-20(23(29)30)27-33(31,32)19-6-2-1-3-7-19/h1-10,12-13,20,27H,11,14-15H2,(H2,24,26)(H,25,28)(H,29,30)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092509 ((S)-3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoyla...) Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccccc2)C(O)=O)n1 Show InChI InChI=1S/C23H24N4O5S/c24-21-8-4-5-18(26-21)14-11-16-9-12-17(13-10-16)22(28)25-15-20(23(29)30)27-33(31,32)19-6-2-1-3-7-19/h1-10,12-13,20,27H,11,14-15H2,(H2,24,26)(H,25,28)(H,29,30)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092508 (2-Benzenesulfonylamino-3-{4-[2-(1,4,5,6-tetrahydro...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(OCCNC2=NCCCN2)cc1)NS(=O)(=O)c1ccccc1 |t:16| Show InChI InChI=1S/C22H27N5O6S/c28-20(26-15-19(21(29)30)27-34(31,32)18-5-2-1-3-6-18)16-7-9-17(10-8-16)33-14-13-25-22-23-11-4-12-24-22/h1-3,5-10,19,27H,4,11-15H2,(H,26,28)(H,29,30)(H2,23,24,25)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092508 (2-Benzenesulfonylamino-3-{4-[2-(1,4,5,6-tetrahydro...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(OCCNC2=NCCCN2)cc1)NS(=O)(=O)c1ccccc1 |t:16| Show InChI InChI=1S/C22H27N5O6S/c28-20(26-15-19(21(29)30)27-34(31,32)18-5-2-1-3-6-18)16-7-9-17(10-8-16)33-14-13-25-22-23-11-4-12-24-22/h1-3,5-10,19,27H,4,11-15H2,(H,26,28)(H,29,30)(H2,23,24,25)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107399 ((S)-3-(2-{(R)-2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C24H29N5O4/c30-21(28-20(13-22(31)32)18-4-1-10-25-14-18)15-29-12-9-17(24(29)33)6-8-19-7-5-16-3-2-11-26-23(16)27-19/h1,4-5,7,10,14,17,20H,2-3,6,8-9,11-13,15H2,(H,26,27)(H,28,30)(H,31,32)/t17-,20+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.940	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of a non-peptide radioligand from human recombinant alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107403 ((S)-3-(2-{2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]naph...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CCCC(CCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C25H31N5O4/c31-22(29-21(14-23(32)33)19-5-1-11-26-15-19)16-30-13-3-6-18(25(30)34)8-10-20-9-7-17-4-2-12-27-24(17)28-20/h1,5,7,9,11,15,18,21H,2-4,6,8,10,12-14,16H2,(H,27,28)(H,29,31)(H,32,33)/t18?,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rate of ADP-stimulated gel-filtered human platelet aggregation mediated by integrin alphaIIb beta-3 in PLAGGIN assay				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107404 ((S)-3-Pyridin-3-yl-3-[2-(4-5,6,7,8-tetrahydro-[1,8...) Show SMILES OC(=O)C[C@H](NC(=O)CNC(=O)CCCc1ccc2CCCNc2n1)c1cccnc1 Show InChI InChI=1S/C22H27N5O4/c28-19(7-1-6-17-9-8-15-4-3-11-24-22(15)26-17)25-14-20(29)27-18(12-21(30)31)16-5-2-10-23-13-16/h2,5,8-10,13,18H,1,3-4,6-7,11-12,14H2,(H,24,26)(H,25,28)(H,27,29)(H,30,31)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rate of ADP-stimulated gel-filtered human platelet aggregation mediated by integrin alphaIIb beta-3 in PLAGGIN assay				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092510 (2-Benzenesulfonylamino-3-[4-(2-guanidino-ethoxy)-b...) Show SMILES NC(=N)NCCOc1ccc(cc1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C19H23N5O6S/c20-19(21)22-10-11-30-14-8-6-13(7-9-14)17(25)23-12-16(18(26)27)24-31(28,29)15-4-2-1-3-5-15/h1-9,16,24H,10-12H2,(H,23,25)(H,26,27)(H4,20,21,22)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107401 ((S)-3-(2-{(S)-2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)C#C Show InChI InChI=1S/C21H26N4O4/c1-2-16(12-19(27)28)23-18(26)13-25-11-9-15(21(25)29)6-8-17-7-5-14-4-3-10-22-20(14)24-17/h1,5,7,15-16H,3-4,6,8-13H2,(H,22,24)(H,23,26)(H,27,28)/t15-,16+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rate of ADP-stimulated gel-filtered human platelet aggregation mediated by integrin alphaIIb beta-3 in PLAGGIN assay				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107400 ((S)-3-[2-(4-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2...) Show SMILES OC(=O)C[C@H](NC(=O)CNC(=O)CCCc1ccc2CCCNc2n1)C#C Show InChI InChI=1S/C19H24N4O4/c1-2-14(11-18(26)27)22-17(25)12-21-16(24)7-3-6-15-9-8-13-5-4-10-20-19(13)23-15/h1,8-9,14H,3-7,10-12H2,(H,20,23)(H,21,24)(H,22,25)(H,26,27)/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rate of ADP-stimulated gel-filtered human platelet aggregation mediated by integrin alphaIIb beta-3 in PLAGGIN assay				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092510 (2-Benzenesulfonylamino-3-[4-(2-guanidino-ethoxy)-b...) Show SMILES NC(=N)NCCOc1ccc(cc1)C(=O)NC[C@H](NS(=O)(=O)c1ccccc1)C(O)=O Show InChI InChI=1S/C19H23N5O6S/c20-19(21)22-10-11-30-14-8-6-13(7-9-14)17(25)23-12-16(18(26)27)24-31(28,29)15-4-2-1-3-5-15/h1-9,16,24H,10-12H2,(H,23,25)(H,26,27)(H4,20,21,22)/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10.7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107396 ((S)-3-(2-{2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]naph...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CCN(CCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C23H28N6O4/c30-20(27-19(13-21(31)32)17-4-1-8-24-14-17)15-29-12-11-28(23(29)33)10-7-18-6-5-16-3-2-9-25-22(16)26-18/h1,4-6,8,14,19H,2-3,7,9-13,15H2,(H,25,26)(H,27,30)(H,31,32)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rate of ADP-stimulated gel-filtered human platelet aggregation mediated by integrin alphaIIb beta-3 in PLAGGIN assay				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107405 (3-[2-(4-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl-...) Show SMILES OC(=O)CCNC(=O)CNC(=O)CCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C17H24N4O4/c22-14(20-11-15(23)18-10-8-16(24)25)5-1-4-13-7-6-12-3-2-9-19-17(12)21-13/h6-7H,1-5,8-11H2,(H,18,23)(H,19,21)(H,20,22)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of a non-peptide radioligand from human recombinant alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50091737 ((S)-2-Benzenesulfonylamino-3-[4-(2-piperidin-4-yl-...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(OCCC2CCNCC2)cc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H29N3O6S/c27-22(18-6-8-19(9-7-18)32-15-12-17-10-13-24-14-11-17)25-16-21(23(28)29)26-33(30,31)20-4-2-1-3-5-20/h1-9,17,21,24,26H,10-16H2,(H,25,27)(H,28,29)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]nonpeptide ligand (compound 7) from purified human recombinant alphaV-beta3				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50091737 ((S)-2-Benzenesulfonylamino-3-[4-(2-piperidin-4-yl-...) Show SMILES OC(=O)[C@H](CNC(=O)c1ccc(OCCC2CCNCC2)cc1)NS(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H29N3O6S/c27-22(18-6-8-19(9-7-18)32-15-12-17-10-13-24-14-11-17)25-16-21(23(28)29)26-33(30,31)20-4-2-1-3-5-20/h1-9,17,21,24,26H,10-16H2,(H,25,27)(H,28,29)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of [125I]echistatin from human recombinant alpha-v beta-3 receptor				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50107396 ((S)-3-(2-{2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]naph...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CCN(CCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C23H28N6O4/c30-20(27-19(13-21(31)32)17-4-1-8-24-14-17)15-29-12-11-28(23(29)33)10-7-18-6-5-16-3-2-9-25-22(16)26-18/h1,4-6,8,14,19H,2-3,7,9-13,15H2,(H,25,26)(H,27,30)(H,31,32)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	7.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of a non-peptide radioligand from human recombinant alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50107399 ((S)-3-(2-{(R)-2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@@H](CCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C24H29N5O4/c30-21(28-20(13-22(31)32)18-4-1-10-25-14-18)15-29-12-9-17(24(29)33)6-8-19-7-5-16-3-2-11-26-23(16)27-19/h1,4-5,7,10,14,17,20H,2-3,6,8-9,11-13,15H2,(H,26,27)(H,28,30)(H,31,32)/t17-,20+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of a non-peptide radioligand from human recombinant alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107402 ((S)-2-[2-((S)-2-Amino-5-carbamimidoyl-pentanoylami...) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C12H22N6O6/c13-6(2-1-3-16-12(14)15)10(22)17-5-8(19)18-7(11(23)24)4-9(20)21/h6-7H,1-5,13H2,(H,17,22)(H,18,19)(H,20,21)(H,23,24)(H4,14,15,16)/t6-,7-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of a non-peptide radioligand from human recombinant alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50107397 ((S)-3-(2-{(S)-2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C24H29N5O4/c30-21(28-20(13-22(31)32)18-4-1-10-25-14-18)15-29-12-9-17(24(29)33)6-8-19-7-5-16-3-2-11-26-23(16)27-19/h1,4-5,7,10,14,17,20H,2-3,6,8-9,11-13,15H2,(H,26,27)(H,28,30)(H,31,32)/t17-,20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of a non-peptide radioligand from human recombinant alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50107404 ((S)-3-Pyridin-3-yl-3-[2-(4-5,6,7,8-tetrahydro-[1,8...) Show SMILES OC(=O)C[C@H](NC(=O)CNC(=O)CCCc1ccc2CCCNc2n1)c1cccnc1 Show InChI InChI=1S/C22H27N5O4/c28-19(7-1-6-17-9-8-15-4-3-11-24-22(15)26-17)25-14-20(29)27-18(12-21(30)31)16-5-2-10-23-13-16/h2,5,8-10,13,18H,1,3-4,6-7,11-12,14H2,(H,24,26)(H,25,28)(H,27,29)(H,30,31)/t18-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rate of ADP-stimulated gel-filtered human platelet aggregation mediated by integrin alphaIIb beta-3 in PLAGGIN assay				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50107400 ((S)-3-[2-(4-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2...) Show SMILES OC(=O)C[C@H](NC(=O)CNC(=O)CCCc1ccc2CCCNc2n1)C#C Show InChI InChI=1S/C19H24N4O4/c1-2-14(11-18(26)27)22-17(25)12-21-16(24)7-3-6-15-9-8-13-5-4-10-20-19(13)23-15/h1,8-9,14H,3-7,10-12H2,(H,20,23)(H,21,24)(H,22,25)(H,26,27)/t14-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rate of ADP-stimulated gel-filtered human platelet aggregation mediated by integrin alphaIIb beta-3 in PLAGGIN assay				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50107402 ((S)-2-[2-((S)-2-Amino-5-carbamimidoyl-pentanoylami...) Show SMILES N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(O)=O Show InChI InChI=1S/C12H22N6O6/c13-6(2-1-3-16-12(14)15)10(22)17-5-8(19)18-7(11(23)24)4-9(20)21/h6-7H,1-5,13H2,(H,17,22)(H,18,19)(H,20,21)(H,23,24)(H4,14,15,16)/t6-,7-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of a non-peptide radioligand from human recombinant alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50107405 (3-[2-(4-5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl-...) Show SMILES OC(=O)CCNC(=O)CNC(=O)CCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C17H24N4O4/c22-14(20-11-15(23)18-10-8-16(24)25)5-1-4-13-7-6-12-3-2-9-19-17(12)21-13/h6-7H,1-5,8-11H2,(H,18,23)(H,19,21)(H,20,22)(H,24,25)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of a non-peptide radioligand from human recombinant alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50107403 ((S)-3-(2-{2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]naph...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CCCC(CCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C25H31N5O4/c31-22(29-21(14-23(32)33)19-5-1-11-26-15-19)16-30-13-3-6-18(25(30)34)8-10-20-9-7-17-4-2-12-27-24(17)28-20/h1,5,7,9,11,15,18,21H,2-4,6,8,10,12-14,16H2,(H,27,28)(H,29,31)(H,32,33)/t18?,21-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rate of ADP-stimulated gel-filtered human platelet aggregation mediated by integrin alphaIIb beta-3 in PLAGGIN assay				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50107398 (3-[2-(5-Carbamimidoyl-pentanoylamino)-acetylamino]...) Show SMILES NC(=N)NCCCCC(=O)NCC(=O)NCCC(O)=O Show InChI InChI=1S/C11H21N5O4/c12-11(13)15-5-2-1-3-8(17)16-7-9(18)14-6-4-10(19)20/h1-7H2,(H,14,18)(H,16,17)(H,19,20)(H4,12,13,15)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Displacement of a non-peptide radioligand from human recombinant alphaV-beta3 integrin				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50107398 (3-[2-(5-Carbamimidoyl-pentanoylamino)-acetylamino]...) Show SMILES NC(=N)NCCCCC(=O)NCC(=O)NCCC(O)=O Show InChI InChI=1S/C11H21N5O4/c12-11(13)15-5-2-1-3-8(17)16-7-9(18)14-6-4-10(19)20/h1-7H2,(H,14,18)(H,16,17)(H,19,20)(H4,12,13,15)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rate of ADP-stimulated gel-filtered human platelet aggregation mediated by integrin alphaIIb beta-3 in PLAGGIN assay				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50107401 ((S)-3-(2-{(S)-2-Oxo-3-[2-(5,6,7,8-tetrahydro-[1,8]...) Show SMILES OC(=O)C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3CCCNc3n2)C1=O)C#C Show InChI InChI=1S/C21H26N4O4/c1-2-16(12-19(27)28)23-18(26)13-25-11-9-15(21(25)29)6-8-17-7-5-14-4-3-10-22-20(14)24-17/h1,5,7,15-16H,3-4,6,8-13H2,(H,22,24)(H,23,26)(H,27,28)/t15-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of rate of ADP-stimulated gel-filtered human platelet aggregation mediated by integrin alphaIIb beta-3 in PLAGGIN assay				Bioorg Med Chem Lett 12: 25-9 (2001) BindingDB Entry DOI: 10.7270/Q289171X
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50092511 (3-{4-[2-(6-Amino-pyridin-2-yl)-ethyl]-benzoylamino...) Show SMILES Nc1cccc(CCc2ccc(cc2)C(=O)NC[C@H](NS(=O)(=O)c2ccc(I)cc2)C(O)=O)n1 Show InChI InChI=1S/C23H23IN4O5S/c24-17-9-12-19(13-10-17)34(32,33)28-20(23(30)31)14-26-22(29)16-7-4-15(5-8-16)6-11-18-2-1-3-21(25)27-18/h1-5,7-10,12-13,20,28H,6,11,14H2,(H2,25,27)(H,26,29)(H,30,31)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	0.0600	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Dissociation constant of radiolabeled compound binding to alpha-v-beta-3				J Med Chem 43: 3736-45 (2000) BindingDB Entry DOI: 10.7270/Q2833T7B
					More data for this Ligand-Target Pair