Compile Data Set for Download or QSAR

Found 63 hits with Last Name = 'gushue' and Initial = 'jm'   

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))	BDBM50166693 (3-Pyridin-3-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]na...) Show SMILES OC(=O)CC(c1cccnc1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C26H26N4O3/c31-25(32)16-24(20-4-1-11-27-17-20)30-13-9-19-15-22(7-8-23(19)30)33-14-10-21-6-5-18-3-2-12-28-26(18)29-21/h1,4-9,11,13,15,17,24H,2-3,10,12,14,16H2,(H,28,29)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166695 (3-(5-Methoxy-pyridin-3-yl)-3-{5-[2-(5,6,7,8-tetrah...) Show SMILES COc1cncc(c1)C(CC(O)=O)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C27H28N4O4/c1-34-23-14-20(16-28-17-23)25(15-26(32)33)31-11-8-19-13-22(6-7-24(19)31)35-12-9-21-5-4-18-3-2-10-29-27(18)30-21/h4-8,11,13-14,16-17,25H,2-3,9-10,12,15H2,1H3,(H,29,30)(H,32,33)	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
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166677 (3-(5-Cyano-pyridin-3-yl)-3-{5-[2-(5,6,7,8-tetrahyd...) Show SMILES OC(=O)CC(c1cncc(c1)C#N)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C27H25N5O3/c28-15-18-12-21(17-29-16-18)25(14-26(33)34)32-10-7-20-13-23(5-6-24(20)32)35-11-8-22-4-3-19-2-1-9-30-27(19)31-22/h3-7,10,12-13,16-17,25H,1-2,8-9,11,14H2,(H,30,31)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia 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
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166688 (3-(6-Methanesulfonyl-pyridin-3-yl)-3-{5-[2-(5,6,7,...) Show SMILES CS(=O)(=O)c1ccc(cn1)C(CC(O)=O)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C27H28N4O5S/c1-37(34,35)25-9-5-20(17-29-25)24(16-26(32)33)31-13-10-19-15-22(7-8-23(19)31)36-14-11-21-6-4-18-3-2-12-28-27(18)30-21/h4-10,13,15,17,24H,2-3,11-12,14,16H2,1H3,(H,28,30)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166678 (3-Benzo[1,3]dioxol-5-yl-3-{5-[2-(5,6,7,8-tetrahydr...) Show SMILES OC(=O)CC(c1ccc2OCOc2c1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C28H27N3O5/c32-27(33)16-24(19-4-8-25-26(15-19)36-17-35-25)31-12-9-20-14-22(6-7-23(20)31)34-13-10-21-5-3-18-2-1-11-29-28(18)30-21/h3-9,12,14-15,24H,1-2,10-11,13,16-17H2,(H,29,30)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166683 (3-Quinolin-3-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]n...) Show SMILES OC(=O)CC(c1cnc2ccccc2c1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C30H28N4O3/c35-29(36)18-28(23-16-21-4-1-2-6-26(21)32-19-23)34-14-11-22-17-25(9-10-27(22)34)37-15-12-24-8-7-20-5-3-13-31-30(20)33-24/h1-2,4,6-11,14,16-17,19,28H,3,5,12-13,15,18H2,(H,31,33)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166669 (3-(5-Methanesulfonyl-pyridin-3-yl)-3-{5-[2-(5,6,7,...) Show SMILES CS(=O)(=O)c1cncc(c1)C(CC(O)=O)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C27H28N4O5S/c1-37(34,35)23-14-20(16-28-17-23)25(15-26(32)33)31-11-8-19-13-22(6-7-24(19)31)36-12-9-21-5-4-18-3-2-10-29-27(18)30-21/h4-8,11,13-14,16-17,25H,2-3,9-10,12,15H2,1H3,(H,29,30)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166675 (3-(3-Chloro-phenyl)-3-{5-[2-(5,6,7,8-tetrahydro-[1...) Show SMILES OC(=O)CC(c1cccc(Cl)c1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C27H26ClN3O3/c28-21-5-1-3-19(15-21)25(17-26(32)33)31-13-10-20-16-23(8-9-24(20)31)34-14-11-22-7-6-18-4-2-12-29-27(18)30-22/h1,3,5-10,13,15-16,25H,2,4,11-12,14,17H2,(H,29,30)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166680 (3-(4-Methoxy-phenyl)-3-{5-[2-(5,6,7,8-tetrahydro-[...) Show SMILES COc1ccc(cc1)C(CC(O)=O)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C28H29N3O4/c1-34-23-8-5-19(6-9-23)26(18-27(32)33)31-15-12-21-17-24(10-11-25(21)31)35-16-13-22-7-4-20-3-2-14-29-28(20)30-22/h4-12,15,17,26H,2-3,13-14,16,18H2,1H3,(H,29,30)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166668 (3-(4-Fluoro-phenyl)-3-{5-[2-(5,6,7,8-tetrahydro-[1...) Show SMILES OC(=O)CC(c1ccc(F)cc1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C27H26FN3O3/c28-21-6-3-18(4-7-21)25(17-26(32)33)31-14-11-20-16-23(9-10-24(20)31)34-15-12-22-8-5-19-2-1-13-29-27(19)30-22/h3-11,14,16,25H,1-2,12-13,15,17H2,(H,29,30)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166682 (3-(3-Methoxy-phenyl)-3-{5-[2-(5,6,7,8-tetrahydro-[...) Show SMILES COc1cccc(c1)C(CC(O)=O)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C28H29N3O4/c1-34-23-6-2-4-20(16-23)26(18-27(32)33)31-14-11-21-17-24(9-10-25(21)31)35-15-12-22-8-7-19-5-3-13-29-28(19)30-22/h2,4,6-11,14,16-17,26H,3,5,12-13,15,18H2,1H3,(H,29,30)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166665 (3-Pyridin-4-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]na...) Show SMILES OC(=O)CC(c1ccncc1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C26H26N4O3/c31-25(32)17-24(18-7-12-27-13-8-18)30-14-9-20-16-22(5-6-23(20)30)33-15-10-21-4-3-19-2-1-11-28-26(19)29-21/h3-9,12-14,16,24H,1-2,10-11,15,17H2,(H,28,29)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166691 (3-Phenyl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]naphthyr...) Show SMILES OC(=O)CC(c1ccccc1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C27H27N3O3/c31-26(32)18-25(19-5-2-1-3-6-19)30-15-12-21-17-23(10-11-24(21)30)33-16-13-22-9-8-20-7-4-14-28-27(20)29-22/h1-3,5-6,8-12,15,17,25H,4,7,13-14,16,18H2,(H,28,29)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166692 (3-(2-Methoxy-phenyl)-3-{5-[2-(5,6,7,8-tetrahydro-[...) Show SMILES COc1ccccc1C(CC(O)=O)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C28H29N3O4/c1-34-26-7-3-2-6-23(26)25(18-27(32)33)31-15-12-20-17-22(10-11-24(20)31)35-16-13-21-9-8-19-5-4-14-29-28(19)30-21/h2-3,6-12,15,17,25H,4-5,13-14,16,18H2,1H3,(H,29,30)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166673 (3-Pyridin-2-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]na...) Show SMILES OC(=O)CC(c1ccccn1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C26H26N4O3/c31-25(32)17-24(22-5-1-2-12-27-22)30-14-10-19-16-21(8-9-23(19)30)33-15-11-20-7-6-18-4-3-13-28-26(18)29-20/h1-2,5-10,12,14,16,24H,3-4,11,13,15,17H2,(H,28,29)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166674 (3-{5-[2-(5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl...) Show SMILES CCCC(CC(O)=O)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C24H29N3O3/c1-2-4-20(16-23(28)29)27-13-10-18-15-21(8-9-22(18)27)30-14-11-19-7-6-17-5-3-12-25-24(17)26-19/h6-10,13,15,20H,2-5,11-12,14,16H2,1H3,(H,25,26)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166672 (3-{5-[2-(5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl...) Show SMILES OC(=O)CCn1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C21H23N3O3/c25-20(26)8-12-24-11-7-16-14-18(5-6-19(16)24)27-13-9-17-4-3-15-2-1-10-22-21(15)23-17/h3-7,11,14H,1-2,8-10,12-13H2,(H,22,23)(H,25,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166687 (3-Benzo[1,3]dioxol-5-yl-3-{5-[2-(3,4-dihydro-2H-py...) Show SMILES OC(=O)CC(c1ccc2OCOc2c1)n1ccc2cc(OCCc3ccc4OCCNc4n3)ccc12 Show InChI InChI=1S/C27H25N3O6/c31-26(32)15-22(17-1-5-23-25(14-17)36-16-35-23)30-10-7-18-13-20(3-4-21(18)30)33-11-8-19-2-6-24-27(29-19)28-9-12-34-24/h1-7,10,13-14,22H,8-9,11-12,15-16H2,(H,28,29)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166679 (3-{5-[3-(5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl...) Show SMILES CCCC(CC(O)=O)n1ccc2cc(CCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C25H31N3O2/c1-2-5-22(17-24(29)30)28-15-13-20-16-18(9-12-23(20)28)6-3-8-21-11-10-19-7-4-14-26-25(19)27-21/h9-13,15-16,22H,2-8,14,17H2,1H3,(H,26,27)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50161783 (3-{5-[2-(6-Methylamino-pyridin-2-yl)-ethoxy]-indol...) Show SMILES CNc1cccc(CCOc2ccc3n(CCC(O)=O)ccc3c2)n1 Show InChI InChI=1S/C19H21N3O3/c1-20-18-4-2-3-15(21-18)9-12-25-16-5-6-17-14(13-16)7-10-22(17)11-8-19(23)24/h2-7,10,13H,8-9,11-12H2,1H3,(H,20,21)(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166666 (3-Naphthalen-2-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8...) Show SMILES OC(=O)CC(c1ccc2ccccc2c1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C31H29N3O3/c35-30(36)20-29(24-8-7-21-4-1-2-5-23(21)18-24)34-16-13-25-19-27(11-12-28(25)34)37-17-14-26-10-9-22-6-3-15-32-31(22)33-26/h1-2,4-5,7-13,16,18-19,29H,3,6,14-15,17,20H2,(H,32,33)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166686 (3-Naphthalen-1-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8...) Show SMILES OC(=O)CC(c1cccc2ccccc12)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C31H29N3O3/c35-30(36)20-29(27-9-3-6-21-5-1-2-8-26(21)27)34-17-14-23-19-25(12-13-28(23)34)37-18-15-24-11-10-22-7-4-16-32-31(22)33-24/h1-3,5-6,8-14,17,19,29H,4,7,15-16,18,20H2,(H,32,33)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166685 (3-Biphenyl-4-yl-3-{5-[2-(5,6,7,8-tetrahydro-[1,8]n...) Show SMILES OC(=O)CC(c1ccc(cc1)-c1ccccc1)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C33H31N3O3/c37-32(38)22-31(25-10-8-24(9-11-25)23-5-2-1-3-6-23)36-19-16-27-21-29(14-15-30(27)36)39-20-17-28-13-12-26-7-4-18-34-33(26)35-28/h1-3,5-6,8-16,19,21,31H,4,7,17-18,20,22H2,(H,34,35)(H,37,38)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166690 (3-(2-Chloro-phenyl)-3-{5-[2-(5,6,7,8-tetrahydro-[1...) Show SMILES OC(=O)CC(c1ccccc1Cl)n1ccc2cc(OCCc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C27H26ClN3O3/c28-23-6-2-1-5-22(23)25(17-26(32)33)31-14-11-19-16-21(9-10-24(19)31)34-15-12-20-8-7-18-4-3-13-29-27(18)30-20/h1-2,5-11,14,16,25H,3-4,12-13,15,17H2,(H,29,30)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166671 (3-{5-[2-(5,6,7,8-Tetrahydro-[1,8]naphthyridin-2-yl...) Show SMILES CCCC(CC(O)=O)n1ccc2cc(NC(=O)Cc3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C24H28N4O3/c1-2-4-20(15-23(30)31)28-12-10-17-13-18(8-9-21(17)28)26-22(29)14-19-7-6-16-5-3-11-25-24(16)27-19/h6-10,12-13,20H,2-5,11,14-15H2,1H3,(H,25,27)(H,26,29)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166676 (3-{5-[2,2-Difluoro-2-(5,6,7,8-tetrahydro-[1,8]naph...) Show SMILES OC(=O)CC(c1cccnc1)n1ccc2cc(OCC(F)(F)c3ccc4CCCNc4n3)ccc12 Show InChI InChI=1S/C26H24F2N4O3/c27-26(28,23-8-5-17-3-2-11-30-25(17)31-23)16-35-20-6-7-21-18(13-20)9-12-32(21)22(14-24(33)34)19-4-1-10-29-15-19/h1,4-10,12-13,15,22H,2-3,11,14,16H2,(H,30,31)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166681 (3-(5-{2-[N-(4,5-Dihydro-1H-imidazol-2-yl)-aminooxy...) Show SMILES OC(=O)CC(c1ccccc1)n1ccc2cc(OCCONC3=NCCN3)ccc12 |t:23| Show InChI InChI=1S/C22H24N4O4/c27-21(28)15-20(16-4-2-1-3-5-16)26-11-8-17-14-18(6-7-19(17)26)29-12-13-30-25-22-23-9-10-24-22/h1-8,11,14,20H,9-10,12-13,15H2,(H,27,28)(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31288 (1,4-benzodiazepine-2,5-dione scaffold, 2 | BMCL163...) Show SMILES C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCCC(O)=O)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1N |r| Show InChI InChI=1S/C28H26Cl2IN3O4/c1-16(21-11-9-19(30)14-23(21)32)34-26(17-5-7-18(29)8-6-17)28(38)33(13-3-2-4-25(35)36)24-12-10-20(31)15-22(24)27(34)37/h5-12,14-16,26H,2-4,13,32H2,1H3,(H,35,36)/t16-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	7.5	23
Johnson & Johnson Pharmaceutical					Assay Description Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...				Bioorg Med Chem Lett 16: 3463-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.009 BindingDB Entry DOI: 10.7270/Q23F4MZJ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31288 (1,4-benzodiazepine-2,5-dione scaffold, 2 | BMCL163...) Show SMILES C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCCC(O)=O)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1N |r| Show InChI InChI=1S/C28H26Cl2IN3O4/c1-16(21-11-9-19(30)14-23(21)32)34-26(17-5-7-18(29)8-6-17)28(38)33(13-3-2-4-25(35)36)24-12-10-20(31)15-22(24)27(34)37/h5-12,14-16,26H,2-4,13,32H2,1H3,(H,35,36)/t16-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	7.4	23
Johnson & Johnson Pharmaceutical					Assay Description Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...				Bioorg Med Chem Lett 16: 3115-20 (2006) Article DOI: 10.1016/j.bmcl.2006.03.067 BindingDB Entry DOI: 10.7270/Q2ZP44F6
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31293 (1,4-benzodiazepine-2,5-dione scaffold, 22 | BMCL16...) Show SMILES C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCN2CCOCC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1N |r| Show InChI InChI=1S/C29H29Cl2IN4O3/c1-18(23-8-6-21(31)16-25(23)33)36-27(19-2-4-20(30)5-3-19)29(38)35(11-10-34-12-14-39-15-13-34)26-9-7-22(32)17-24(26)28(36)37/h2-9,16-18,27H,10-15,33H2,1H3/t18-,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	367	n/a	n/a	n/a	n/a	7.4	23
Johnson & Johnson Pharmaceutical					Assay Description Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...				Bioorg Med Chem Lett 16: 3115-20 (2006) Article DOI: 10.1016/j.bmcl.2006.03.067 BindingDB Entry DOI: 10.7270/Q2ZP44F6
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31289 (1,4-benzodiazepine-2,5-dione scaffold, 21 | BMCL16...) Show SMILES COCCOCCN1c2ccc(I)cc2C(=O)N([C@H](C)c2ccc(Cl)cc2N)[C@@H](c2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C28H28Cl2IN3O4/c1-17(22-9-7-20(30)15-24(22)32)34-26(18-3-5-19(29)6-4-18)28(36)33(11-12-38-14-13-37-2)25-10-8-21(31)16-23(25)27(34)35/h3-10,15-17,26H,11-14,32H2,1-2H3/t17-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	394	n/a	n/a	n/a	n/a	7.4	23
Johnson & Johnson Pharmaceutical					Assay Description Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...				Bioorg Med Chem Lett 16: 3115-20 (2006) Article DOI: 10.1016/j.bmcl.2006.03.067 BindingDB Entry DOI: 10.7270/Q2ZP44F6
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166684 (2-Methyl-3-{5-[3-(pyridin-2-ylamino)-propoxy]-indo...) Show SMILES CC(Cn1ccc2cc(OCCCNc3ccccn3)ccc12)C(O)=O Show InChI InChI=1S/C20H23N3O3/c1-15(20(24)25)14-23-11-8-16-13-17(6-7-18(16)23)26-12-4-10-22-19-5-2-3-9-21-19/h2-3,5-9,11,13,15H,4,10,12,14H2,1H3,(H,21,22)(H,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50161784 (3-{5-[3-(Pyridin-2-ylamino)-propoxy]-indol-1-yl}-p...) Show SMILES OC(=O)CCn1ccc2cc(OCCCNc3ccccn3)ccc12 Show InChI InChI=1S/C19H21N3O3/c23-19(24)8-12-22-11-7-15-14-16(5-6-17(15)22)25-13-3-10-21-18-4-1-2-9-20-18/h1-2,4-7,9,11,14H,3,8,10,12-13H2,(H,20,21)(H,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31314 (1,4-benzodiazepine-2,5-dione, 12k) Show SMILES C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCN2CCN(C)CC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1N |r| Show InChI InChI=1S/C31H34Cl2IN5O2/c1-20(25-10-8-23(33)18-27(25)35)39-29(21-4-6-22(32)7-5-21)31(41)38(13-3-12-37-16-14-36(2)15-17-37)28-11-9-24(34)19-26(28)30(39)40/h4-11,18-20,29H,3,12-17,35H2,1-2H3/t20-,29+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	546	n/a	n/a	n/a	n/a	7.4	23
Johnson & Johnson Pharmaceutical					Assay Description Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...				Bioorg Med Chem Lett 16: 3115-20 (2006) Article DOI: 10.1016/j.bmcl.2006.03.067 BindingDB Entry DOI: 10.7270/Q2ZP44F6
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31289 (1,4-benzodiazepine-2,5-dione scaffold, 21 | BMCL16...) Show SMILES COCCOCCN1c2ccc(I)cc2C(=O)N([C@H](C)c2ccc(Cl)cc2N)[C@@H](c2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C28H28Cl2IN3O4/c1-17(22-9-7-20(30)15-24(22)32)34-26(18-3-5-19(29)6-4-18)28(36)33(11-12-38-14-13-37-2)25-10-8-21(31)16-23(25)27(34)35/h3-10,15-17,26H,11-14,32H2,1-2H3/t17-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	7.5	23
Johnson & Johnson Pharmaceutical					Assay Description Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...				Bioorg Med Chem Lett 16: 3463-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.009 BindingDB Entry DOI: 10.7270/Q23F4MZJ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31313 (1,4-benzodiazepine-2,5-dione, 12j) Show SMILES CC#Cc1ccc2N(CCN3CCOCC3)C(=O)[C@@H](N([C@H](C)c3ccc(Cl)cc3N)C(=O)c2c1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C32H32Cl2N4O3/c1-3-4-22-5-12-29-27(19-22)31(39)38(21(2)26-11-10-25(34)20-28(26)35)30(23-6-8-24(33)9-7-23)32(40)37(29)14-13-36-15-17-41-18-16-36/h5-12,19-21,30H,13-18,35H2,1-2H3/t21-,30+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	787	n/a	n/a	n/a	n/a	7.4	23
Johnson & Johnson Pharmaceutical					Assay Description Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...				Bioorg Med Chem Lett 16: 3115-20 (2006) Article DOI: 10.1016/j.bmcl.2006.03.067 BindingDB Entry DOI: 10.7270/Q2ZP44F6
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31293 (1,4-benzodiazepine-2,5-dione scaffold, 22 | BMCL16...) Show SMILES C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCN2CCOCC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1N |r| Show InChI InChI=1S/C29H29Cl2IN4O3/c1-18(23-8-6-21(31)16-25(23)33)36-27(19-2-4-20(30)5-3-19)29(38)35(11-10-34-12-14-39-15-13-34)26-9-7-22(32)17-24(26)28(36)37/h2-9,16-18,27H,10-15,33H2,1H3/t18-,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	7.5	23
Johnson & Johnson Pharmaceutical					Assay Description Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...				Bioorg Med Chem Lett 16: 3463-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.009 BindingDB Entry DOI: 10.7270/Q23F4MZJ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31287 (1,4-benzodiazepine-2,5-dione scaffold, 52) Show SMILES Nc1cc(Cl)ccc1CN1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCCC(O)=O)c2ccc(I)cc2C1=O |r| Show InChI InChI=1S/C27H24Cl2IN3O4/c28-18-7-4-16(5-8-18)25-27(37)32(12-2-1-3-24(34)35)23-11-10-20(30)14-21(23)26(36)33(25)15-17-6-9-19(29)13-22(17)31/h4-11,13-14,25H,1-3,12,15,31H2,(H,34,35)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	7.5	23
Johnson & Johnson Pharmaceutical					Assay Description Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...				Bioorg Med Chem Lett 16: 3463-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.009 BindingDB Entry DOI: 10.7270/Q23F4MZJ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31305 (1,4-benzodiazepine-2,5-dione, 12b | BMCL163310 Com...) Show SMILES C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCCC(O)=O)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C28H25Cl2IN2O4/c1-17(18-5-9-20(29)10-6-18)33-26(19-7-11-21(30)12-8-19)28(37)32(15-3-2-4-25(34)35)24-14-13-22(31)16-23(24)27(33)36/h5-14,16-17,26H,2-4,15H2,1H3,(H,34,35)/t17-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	856	n/a	n/a	n/a	n/a	7.4	23
Johnson & Johnson Pharmaceutical					Assay Description Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...				Bioorg Med Chem Lett 16: 3115-20 (2006) Article DOI: 10.1016/j.bmcl.2006.03.067 BindingDB Entry DOI: 10.7270/Q2ZP44F6
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31316 (1,4-benzodiazepine-2,5-dione, 12m) Show SMILES C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CC(=O)N2CCNCC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1N |r| Show InChI InChI=1S/C29H28Cl2IN5O3/c1-17(22-8-6-20(31)14-24(22)33)37-27(18-2-4-19(30)5-3-18)29(40)36(16-26(38)35-12-10-34-11-13-35)25-9-7-21(32)15-23(25)28(37)39/h2-9,14-15,17,27,34H,10-13,16,33H2,1H3/t17-,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a	7.4	23
Johnson & Johnson Pharmaceutical					Assay Description Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...				Bioorg Med Chem Lett 16: 3115-20 (2006) Article DOI: 10.1016/j.bmcl.2006.03.067 BindingDB Entry DOI: 10.7270/Q2ZP44F6
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166689 (2-Benzyl-3-{5-[3-(pyridin-2-ylamino)-propoxy]-indo...) Show SMILES OC(=O)C(Cc1ccccc1)Cn1ccc2cc(OCCCNc3ccccn3)ccc12 Show InChI InChI=1S/C26H27N3O3/c30-26(31)22(17-20-7-2-1-3-8-20)19-29-15-12-21-18-23(10-11-24(21)29)32-16-6-14-28-25-9-4-5-13-27-25/h1-5,7-13,15,18,22H,6,14,16-17,19H2,(H,27,28)(H,30,31)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50166670 (2-{5-[3-(Pyridin-2-ylamino)-propoxy]-indol-1-ylmet...) Show SMILES CCCC(Cn1ccc2cc(OCCCNc3ccccn3)ccc12)C(O)=O Show InChI InChI=1S/C22H27N3O3/c1-2-6-18(22(26)27)16-25-13-10-17-15-19(8-9-20(17)25)28-14-5-12-24-21-7-3-4-11-23-21/h3-4,7-11,13,15,18H,2,5-6,12,14,16H2,1H3,(H,23,24)(H,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson, Pharmaceutical Research and Development, L.L.C. Curated by ChEMBL					Assay Description Inhibitory concentration against alphaV-beta3 integrin				Bioorg Med Chem Lett 15: 2679-84 (2005) Article DOI: 10.1016/j.bmcl.2005.01.028 BindingDB Entry DOI: 10.7270/Q2N29Z40
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31310 (1,4-benzodiazepine-2,5-dione, 12g) Show SMILES COCCOCCN1c2ccc(I)cc2C(=O)N([C@H](C)c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C28H27Cl2IN2O4/c1-18(19-3-7-21(29)8-4-19)33-26(20-5-9-22(30)10-6-20)28(35)32(13-14-37-16-15-36-2)25-12-11-23(31)17-24(25)27(33)34/h3-12,17-18,26H,13-16H2,1-2H3/t18-,26+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.39E+3	n/a	n/a	n/a	n/a	7.4	23
Johnson & Johnson Pharmaceutical					Assay Description Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...				Bioorg Med Chem Lett 16: 3115-20 (2006) Article DOI: 10.1016/j.bmcl.2006.03.067 BindingDB Entry DOI: 10.7270/Q2ZP44F6
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31290 (1,4-benzodiazepine-2,5-dione scaffold, 49) Show SMILES COCCOCCN1c2ccc(I)cc2C(=O)N(Cc2ccc(Cl)cc2O)[C@@H](c2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C27H25Cl2IN2O5/c1-36-12-13-37-11-10-31-23-9-8-21(30)15-22(23)26(34)32(16-18-4-7-20(29)14-24(18)33)25(27(31)35)17-2-5-19(28)6-3-17/h2-9,14-15,25,33H,10-13,16H2,1H3/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.44E+3	n/a	n/a	n/a	n/a	7.5	23
Johnson & Johnson Pharmaceutical					Assay Description Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...				Bioorg Med Chem Lett 16: 3463-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.009 BindingDB Entry DOI: 10.7270/Q23F4MZJ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31295 (1,4-benzodiazepine-2,5-dione scaffold, 27) Show SMILES C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCN2CCOCC2)c2ccc(I)cc2C1=O)c1cc(F)c(Cl)cc1N |r| Show InChI InChI=1S/C29H28Cl2FIN4O3/c1-17(21-15-24(32)23(31)16-25(21)34)37-27(18-2-4-19(30)5-3-18)29(39)36(9-8-35-10-12-40-13-11-35)26-7-6-20(33)14-22(26)28(37)38/h2-7,14-17,27H,8-13,34H2,1H3/t17-,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	7.5	23
Johnson & Johnson Pharmaceutical					Assay Description Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...				Bioorg Med Chem Lett 16: 3463-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.009 BindingDB Entry DOI: 10.7270/Q23F4MZJ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31306 (1,4-benzodiazepine-2,5-dione, 12c) Show SMILES C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCN2CCOCC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H28Cl2IN3O3/c1-19(20-2-6-22(30)7-3-20)35-27(21-4-8-23(31)9-5-21)29(37)34(13-12-33-14-16-38-17-15-33)26-11-10-24(32)18-25(26)28(35)36/h2-11,18-19,27H,12-17H2,1H3/t19-,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	7.4	23
Johnson & Johnson Pharmaceutical					Assay Description Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...				Bioorg Med Chem Lett 16: 3115-20 (2006) Article DOI: 10.1016/j.bmcl.2006.03.067 BindingDB Entry DOI: 10.7270/Q2ZP44F6
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31296 (1,4-benzodiazepine-2,5-dione scaffold, 28) Show SMILES C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCN2CCOCC2)c2ccc(I)cc2C1=O)c1cc(O)c(Cl)cc1N |r| Show InChI InChI=1S/C29H29Cl2IN4O4/c1-17(21-15-26(37)23(31)16-24(21)33)36-27(18-2-4-19(30)5-3-18)29(39)35(9-8-34-10-12-40-13-11-34)25-7-6-20(32)14-22(25)28(36)38/h2-7,14-17,27,37H,8-13,33H2,1H3/t17-,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	7.5	23
Johnson & Johnson Pharmaceutical					Assay Description Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...				Bioorg Med Chem Lett 16: 3463-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.009 BindingDB Entry DOI: 10.7270/Q23F4MZJ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31300 (1,4-benzodiazepine-2,5-dione scaffold, 29) Show SMILES CN(C)CCCCN1c2ccc(I)cc2C(=O)N(Cc2ccc(Cl)cc2N)[C@@H](c2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C28H29Cl2IN4O2/c1-33(2)13-3-4-14-34-25-12-11-22(31)16-23(25)27(36)35(17-19-7-10-21(30)15-24(19)32)26(28(34)37)18-5-8-20(29)9-6-18/h5-12,15-16,26H,3-4,13-14,17,32H2,1-2H3/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.83E+3	n/a	n/a	n/a	n/a	7.5	23
Johnson & Johnson Pharmaceutical					Assay Description Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...				Bioorg Med Chem Lett 16: 3463-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.009 BindingDB Entry DOI: 10.7270/Q23F4MZJ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31294 (1,4-benzodiazepine-2,5-dione scaffold, 23) Show SMILES Nc1cc(Cl)ccc1CN1[C@@H](c2ccc(Cl)cc2)C(=O)N(CCCN2CCOCC2)c2ccc(I)cc2C1=O |r| Show InChI InChI=1S/C29H29Cl2IN4O3/c30-21-5-2-19(3-6-21)27-29(38)35(11-1-10-34-12-14-39-15-13-34)26-9-8-23(32)17-24(26)28(37)36(27)18-20-4-7-22(31)16-25(20)33/h2-9,16-17,27H,1,10-15,18,33H2/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	7.5	23
Johnson & Johnson Pharmaceutical					Assay Description Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...				Bioorg Med Chem Lett 16: 3463-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.009 BindingDB Entry DOI: 10.7270/Q23F4MZJ
					More data for this Ligand-Target Pair
E3 ubiquitin-protein ligase Mdm2 (Homo sapiens (Human))	BDBM31315 (1,4-benzodiazepine-2,5-dione, 12l) Show SMILES C[C@@H](N1[C@@H](c2ccc(Cl)cc2)C(=O)N(CC(=O)N2CCOCC2)c2ccc(I)cc2C1=O)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C29H26Cl2IN3O4/c1-18(19-2-6-21(30)7-3-19)35-27(20-4-8-22(31)9-5-20)29(38)34(17-26(36)33-12-14-39-15-13-33)25-11-10-23(32)16-24(25)28(35)37/h2-11,16,18,27H,12-15,17H2,1H3/t18-,27+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.40E+3	n/a	n/a	n/a	n/a	7.4	23
Johnson & Johnson Pharmaceutical					Assay Description Test compound was incubated for 15 minutes with 30 nM peptide fluorescein-FMDYWEGLN (Fl 9mer) and 120 nM (glycine-HDM2 17-125) in assay buffer. The p...				Bioorg Med Chem Lett 16: 3115-20 (2006) Article DOI: 10.1016/j.bmcl.2006.03.067 BindingDB Entry DOI: 10.7270/Q2ZP44F6
					More data for this Ligand-Target Pair

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