Compile Data Set for Download or QSAR

Found 19 hits with Last Name = 'pennypacker' and Initial = 'b'   

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))	BDBM50153027 ((S)-3-Pyrimidin-5-yl-9-(5,6,7,8-tetrahydro-[1,8]na...) Show SMILES OC(=O)C[C@H](CCCCCCc1ccc2CCCNc2n1)c1cncnc1 Show InChI InChI=1S/C21H28N4O2/c26-20(27)12-17(18-13-22-15-23-14-18)6-3-1-2-4-8-19-10-9-16-7-5-11-24-21(16)25-19/h9-10,13-15,17H,1-8,11-12H2,(H,24,25)(H,26,27)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article 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 Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50153031 ((S)-3-(2-Methyl-pyrimidin-5-yl)-9-(5,6,7,8-tetrahy...) Show SMILES Cc1ncc(cn1)[C@@H](CCCCCCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C22H30N4O2/c1-16-24-14-19(15-25-16)18(13-21(27)28)7-4-2-3-5-9-20-11-10-17-8-6-12-23-22(17)26-20/h10-11,14-15,18H,2-9,12-13H2,1H3,(H,23,26)(H,27,28)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article 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 Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50134778 ((S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-(5,6,...) Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1=O Show InChI InChI=1S/C23H29N5O4/c1-32-20-9-7-17(15-25-20)19(14-21(29)30)28-13-12-27(23(28)31)11-3-5-18-8-6-16-4-2-10-24-22(16)26-18/h6-9,15,19H,2-5,10-14H2,1H3,(H,24,26)(H,29,30)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article 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 Inhibition of alphaV-beta3 integrin binding				J Med Chem 46: 4790-8 (2003) Article DOI: 10.1021/jm030306r BindingDB Entry DOI: 10.7270/Q29K49N1
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50134777 ((S)-3-(2,3-Dihydro-benzofuran-6-yl)-3-{2-oxo-3-[3-...) Show SMILES OC(=O)C[C@H](N1CCN(CCCc2ccc3CCCNc3n2)C1=O)c1ccc2CCOc2c1 Show InChI InChI=1S/C25H30N4O4/c30-23(31)16-21(19-6-5-17-9-14-33-22(17)15-19)29-13-12-28(25(29)32)11-2-4-20-8-7-18-3-1-10-26-24(18)27-20/h5-8,15,21H,1-4,9-14,16H2,(H,26,27)(H,30,31)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 Inhibition of alphaV-beta3 integrin binding				J Med Chem 46: 4790-8 (2003) Article DOI: 10.1021/jm030306r BindingDB Entry DOI: 10.7270/Q29K49N1
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50153026 ((S)-3-(2-Methoxy-pyrimidin-5-yl)-9-(5,6,7,8-tetrah...) Show SMILES COc1ncc(cn1)[C@@H](CCCCCCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C22H30N4O3/c1-29-22-24-14-18(15-25-22)17(13-20(27)28)7-4-2-3-5-9-19-11-10-16-8-6-12-23-21(16)26-19/h10-11,14-15,17H,2-9,12-13H2,1H3,(H,23,26)(H,27,28)/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50153029 ((S)-3-Quinolin-3-yl-9-(5,6,7,8-tetrahydro-[1,8]nap...) Show SMILES OC(=O)C[C@H](CCCCCCc1ccc2CCCNc2n1)c1cnc2ccccc2c1 Show InChI InChI=1S/C26H31N3O2/c30-25(31)17-20(22-16-21-9-5-6-12-24(21)28-18-22)8-3-1-2-4-11-23-14-13-19-10-7-15-27-26(19)29-23/h5-6,9,12-14,16,18,20H,1-4,7-8,10-11,15,17H2,(H,27,29)(H,30,31)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50153023 ((S)-3-(2,3-Dihydro-benzofuran-6-yl)-9-(5,6,7,8-tet...) Show SMILES OC(=O)C[C@H](CCCCCCc1ccc2CCCNc2n1)c1ccc2CCOc2c1 Show InChI InChI=1S/C25H32N2O3/c28-24(29)17-20(21-10-9-18-13-15-30-23(18)16-21)6-3-1-2-4-8-22-12-11-19-7-5-14-26-25(19)27-22/h9-12,16,20H,1-8,13-15,17H2,(H,26,27)(H,28,29)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.210	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50134780 ((S)-3-{2-Oxo-3-[3-(5,6,7,8-tetrahydro-[1,8]naphthy...) Show SMILES OC(=O)C[C@H](N1CCN(CCCc2ccc3CCCNc3n2)C1=O)c1cccnc1 Show InChI InChI=1S/C22H27N5O3/c28-20(29)14-19(17-5-1-9-23-15-17)27-13-12-26(22(27)30)11-3-6-18-8-7-16-4-2-10-24-21(16)25-18/h1,5,7-9,15,19H,2-4,6,10-14H2,(H,24,25)(H,28,29)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alphaV-beta3 integrin binding				J Med Chem 46: 4790-8 (2003) Article DOI: 10.1021/jm030306r BindingDB Entry DOI: 10.7270/Q29K49N1
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50134776 ((S)-3-(3-Fluoro-4-methoxy-phenyl)-3-{2-oxo-3-[3-(5...) Show SMILES COc1ccc(cc1F)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1=O Show InChI InChI=1S/C24H29FN4O4/c1-33-21-9-7-17(14-19(21)25)20(15-22(30)31)29-13-12-28(24(29)32)11-3-5-18-8-6-16-4-2-10-26-23(16)27-18/h6-9,14,20H,2-5,10-13,15H2,1H3,(H,26,27)(H,30,31)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 alphaV-beta3 integrin binding				J Med Chem 46: 4790-8 (2003) Article DOI: 10.1021/jm030306r BindingDB Entry DOI: 10.7270/Q29K49N1
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50134779 ((S)-3-{3-[3-(7-Hydroxy-5,6,7,8-tetrahydro-[1,8]nap...) Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCC(O)Nc3n2)C1=O Show InChI InChI=1S/C23H29N5O5/c1-33-20-9-6-16(14-24-20)18(13-21(30)31)28-12-11-27(23(28)32)10-2-3-17-7-4-15-5-8-19(29)26-22(15)25-17/h4,6-7,9,14,18-19,29H,2-3,5,8,10-13H2,1H3,(H,25,26)(H,30,31)/t18-,19?/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article 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 Inhibition of alphaV-beta3 integrin binding				J Med Chem 46: 4790-8 (2003) Article DOI: 10.1021/jm030306r BindingDB Entry DOI: 10.7270/Q29K49N1
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50153024 ((S)-3-(2-Isopropyl-pyrimidin-5-yl)-9-(5,6,7,8-tetr...) Show SMILES CC(C)c1ncc(cn1)[C@@H](CCCCCCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C24H34N4O2/c1-17(2)23-26-15-20(16-27-23)19(14-22(29)30)8-5-3-4-6-10-21-12-11-18-9-7-13-25-24(18)28-21/h11-12,15-17,19H,3-10,13-14H2,1-2H3,(H,25,28)(H,29,30)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50153030 ((S)-3-(6-Methoxy-pyridin-3-yl)-9-(5,6,7,8-tetrahyd...) Show SMILES COc1ccc(cn1)[C@@H](CCCCCCc1ccc2CCCNc2n1)CC(O)=O Show InChI InChI=1S/C23H31N3O3/c1-29-21-13-11-19(16-25-21)18(15-22(27)28)7-4-2-3-5-9-20-12-10-17-8-6-14-24-23(17)26-20/h10-13,16,18H,2-9,14-15H2,1H3,(H,24,26)(H,27,28)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50153025 (3-(3-Fluoro-phenyl)-9-(5,6,7,8-tetrahydro-[1,8]nap...) Show SMILES OC(=O)CC(CCCCCCc1ccc2CCCNc2n1)c1cccc(F)c1 Show InChI InChI=1S/C23H29FN2O2/c24-20-10-5-8-18(15-20)19(16-22(27)28)7-3-1-2-4-11-21-13-12-17-9-6-14-25-23(17)26-21/h5,8,10,12-13,15,19H,1-4,6-7,9,11,14,16H2,(H,25,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article 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 Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50134775 ((S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-oxo-3...) Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCC(=O)c2ccc3CCCNc3n2)C1=O Show InChI InChI=1S/C23H27N5O5/c1-33-20-7-5-16(14-25-20)18(13-21(30)31)28-12-11-27(23(28)32)10-8-19(29)17-6-4-15-3-2-9-24-22(15)26-17/h4-7,14,18H,2-3,8-13H2,1H3,(H,24,26)(H,30,31)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alphaV-beta3 integrin binding				J Med Chem 46: 4790-8 (2003) Article DOI: 10.1021/jm030306r BindingDB Entry DOI: 10.7270/Q29K49N1
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50135968 (3-Pyrimidin-5-yl-3-(5-5,6,7,8-tetrahydro-[1,8]naph...) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cncnc1 Show InChI InChI=1S/C20H25N5O3/c26-18(25-17(10-19(27)28)15-11-21-13-22-12-15)6-2-1-5-16-8-7-14-4-3-9-23-20(14)24-16/h7-8,11-13,17H,1-6,9-10H2,(H,23,24)(H,25,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50153028 ((E)-3-(3-Fluoro-phenyl)-9-(5,6,7,8-tetrahydro-[1,8...) Show SMILES OC(=O)CC(\C=C\CCCCc1ccc2CCCNc2n1)c1cccc(F)c1 Show InChI InChI=1S/C23H27FN2O2/c24-20-10-5-8-18(15-20)19(16-22(27)28)7-3-1-2-4-11-21-13-12-17-9-6-14-25-23(17)26-21/h3,5,7-8,10,12-13,15,19H,1-2,4,6,9,11,14,16H2,(H,25,26)(H,27,28)/b7-3+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50116974 ((S)-3-(3-Fluoro-phenyl)-3-(5-5,6,7,8-tetrahydro-[1...) Show SMILES OC(=O)C[C@H](NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(F)c1 Show InChI InChI=1S/C22H26FN3O3/c23-17-7-3-5-16(13-17)19(14-21(28)29)26-20(27)9-2-1-8-18-11-10-15-6-4-12-24-22(15)25-18/h3,5,7,10-11,13,19H,1-2,4,6,8-9,12,14H2,(H,24,25)(H,26,27)(H,28,29)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22.7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory activity against alpha v beta-3 receptor using scintillation proximity assay (SPAV3)				J Med Chem 47: 4829-37 (2004) Article DOI: 10.1021/jm049874c BindingDB Entry DOI: 10.7270/Q2CJ8FQC
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50134781 ((S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-(7-ox...) Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCC(=O)Nc3n2)C1=O Show InChI InChI=1S/C23H27N5O5/c1-33-20-9-6-16(14-24-20)18(13-21(30)31)28-12-11-27(23(28)32)10-2-3-17-7-4-15-5-8-19(29)26-22(15)25-17/h4,6-7,9,14,18H,2-3,5,8,10-13H2,1H3,(H,30,31)(H,25,26,29)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alphaV-beta3 integrin binding				J Med Chem 46: 4790-8 (2003) Article DOI: 10.1021/jm030306r BindingDB Entry DOI: 10.7270/Q29K49N1
					More data for this Ligand-Target Pair
Integrin alpha-IIb/beta-3 (Homo sapiens (Human))	BDBM50134778 ((S)-3-(6-Methoxy-pyridin-3-yl)-3-{2-oxo-3-[3-(5,6,...) Show SMILES COc1ccc(cn1)[C@H](CC(O)=O)N1CCN(CCCc2ccc3CCCNc3n2)C1=O Show InChI InChI=1S/C23H29N5O4/c1-32-20-9-7-17(15-25-20)19(14-21(29)30)28-13-12-27(23(28)31)11-3-5-18-8-6-16-4-2-10-24-22(16)26-18/h6-9,15,19H,2-5,10-14H2,1H3,(H,24,26)(H,29,30)/t19-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of alphaIIb-beta3 integrin mediated platelet aggregation				J Med Chem 46: 4790-8 (2003) Article DOI: 10.1021/jm030306r BindingDB Entry DOI: 10.7270/Q29K49N1
					More data for this Ligand-Target Pair