Compile Data Set for Download or QSAR

Found 333 hits with Last Name = 'yeung' and Initial = 'j'   

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
Polyunsaturated fatty acid lipoxygenase ALOX12 (Homo sapiens (Human))	BDBM50447175 (CHEMBL3113165 | US10752581, Compound 35) Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3s2)c1O Show InChI InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Uncompetitive inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate assessed as 12-HPETE formation by Henri-...				J Med Chem 57: 495-506 (2014) Article DOI: 10.1021/jm4016476 BindingDB Entry DOI: 10.7270/Q27082XR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Polyunsaturated fatty acid lipoxygenase ALOX12 (Homo sapiens (Human))	BDBM50447176 (CHEMBL3113166 | US10752581, Compound 36) Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3o2)c1O Show InChI InChI=1S/C21H19N3O5S/c1-28-19-8-4-5-14(20(19)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-7-18(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Uncompetitive inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate assessed as 12-HPETE formation by Henri-...				J Med Chem 57: 495-506 (2014) Article DOI: 10.1021/jm4016476 BindingDB Entry DOI: 10.7270/Q27082XR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Homo sapiens (Human))	BDBM50447176 (CHEMBL3113166 | US10752581, Compound 36) Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3o2)c1O Show InChI InChI=1S/C21H19N3O5S/c1-28-19-8-4-5-14(20(19)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-7-18(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Competitive inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate assessed as 12-HPETE formation by Henri-Mi...				J Med Chem 57: 495-506 (2014) Article DOI: 10.1021/jm4016476 BindingDB Entry DOI: 10.7270/Q27082XR
					More data for this Ligand-Target Pair
Polyunsaturated fatty acid lipoxygenase ALOX12 (Homo sapiens (Human))	BDBM50447175 (CHEMBL3113165 | US10752581, Compound 35) Show SMILES COc1cccc(CNc2ccc(cc2)S(=O)(=O)Nc2nc3ccccc3s2)c1O Show InChI InChI=1S/C21H19N3O4S2/c1-28-18-7-4-5-14(20(18)25)13-22-15-9-11-16(12-10-15)30(26,27)24-21-23-17-6-2-3-8-19(17)29-21/h2-12,22,25H,13H2,1H3,(H,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institutes of Health Curated by ChEMBL					Assay Description Competitive inhibition of N-terminal His6-tagged human platelet 12-LOX using arachidonic acid as substrate assessed as 12-HPETE formation by Henri-Mi...				J Med Chem 57: 495-506 (2014) Article DOI: 10.1021/jm4016476 BindingDB Entry DOI: 10.7270/Q27082XR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50110227 (3-{2-[4-(4-Methyl-pyridin-2-ylamino)-butyrylamino]...) Show SMILES Cc1ccnc(NCCCC(=O)NCC(=O)NC(CC(O)=O)c2ccc(cc2)-c2cccc3ccccc23)c1 Show InChI InChI=1S/C31H32N4O4/c1-21-15-17-33-28(18-21)32-16-5-10-29(36)34-20-30(37)35-27(19-31(38)39)24-13-11-23(12-14-24)26-9-4-7-22-6-2-3-8-25(22)26/h2-4,6-9,11-15,17-18,27H,5,10,16,19-20H2,1H3,(H,32,33)(H,34,36)(H,35,37)(H,38,39)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta6 (unknown origin) by Merck binding assay				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50464126 (CHEMBL3356154) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)NC(CC(O)=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H19Cl2N5O4/c20-12-4-11(5-13(21)7-12)15(8-17(28)29)26-16(27)9-24-18(30)10-2-1-3-14(6-10)25-19(22)23/h1-7,15H,8-9H2,(H,24,30)(H,26,27)(H,28,29)(H4,22,23,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3 (unknown origin) by Monsanto binding assay				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50497634 (CHEMBL3356184) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc2OCOc2c1 Show InChI InChI=1S/C23H27N3O5/c27-21(6-2-1-5-17-9-7-15-4-3-11-24-23(15)25-17)26-18(13-22(28)29)16-8-10-19-20(12-16)31-14-30-19/h7-10,12,18H,1-6,11,13-14H2,(H,24,25)(H,26,27)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta5 (unknown origin)-mediated K562 cell adhesion to vitronectin coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50497634 (CHEMBL3356184) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc2OCOc2c1 Show InChI InChI=1S/C23H27N3O5/c27-21(6-2-1-5-17-9-7-15-4-3-11-24-23(15)25-17)26-18(13-22(28)29)16-8-10-19-20(12-16)31-14-30-19/h7-10,12,18H,1-6,11,13-14H2,(H,24,25)(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50497612 (CHEMBL3356160) Show SMILES OC(=O)CC(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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta5 (unknown origin)-mediated K562 cell adhesion to vitronectin coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50497618 (CHEMBL3356158) Show SMILES Cc1ccccc1C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C23H29N3O3/c1-16-7-2-4-10-19(16)20(15-22(28)29)26-21(27)11-5-3-9-18-13-12-17-8-6-14-24-23(17)25-18/h2,4,7,10,12-13,20H,3,5-6,8-9,11,14-15H2,1H3,(H,24,25)(H,26,27)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta5 (unknown origin)-mediated K562 cell adhesion to vitronectin coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of equine BuChE by Ellman's method				Bioorg Med Chem Lett 21: 5881-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50497612 (CHEMBL3356160) Show SMILES OC(=O)CC(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)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3 (unknown origin) by Merck binding assay				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50464126 (CHEMBL3356154) Show SMILES NC(=N)Nc1cccc(c1)C(=O)NCC(=O)NC(CC(O)=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C19H19Cl2N5O4/c20-12-4-11(5-13(21)7-12)15(8-17(28)29)26-16(27)9-24-18(30)10-2-1-3-14(6-10)25-19(22)23/h1-7,15H,8-9H2,(H,24,30)(H,26,27)(H,28,29)(H4,22,23,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50497606 (CHEMBL3356166) Show SMILES COc1ccc(cc1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C23H29N3O4/c1-30-19-12-9-16(10-13-19)20(15-22(28)29)26-21(27)7-3-2-6-18-11-8-17-5-4-14-24-23(17)25-18/h8-13,20H,2-7,14-15H2,1H3,(H,24,25)(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50497608 (CHEMBL3356161) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(Cl)c1 Show InChI InChI=1S/C22H26ClN3O3/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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta5 (unknown origin)-mediated K562 cell adhesion to vitronectin coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE using acetylthiocholine iodide as substrate after 5 mins by DTNB method				Bioorg Med Chem Lett 22: 4707-12 (2012) Article DOI: 10.1016/j.bmcl.2012.05.077 BindingDB Entry DOI: 10.7270/Q27S7PSZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50497612 (CHEMBL3356160) Show SMILES OC(=O)CC(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)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8960 ((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...) Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE by Ellman's assay				Bioorg Med Chem Lett 21: 5881-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50497635 (CHEMBL3356172) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(c1)C#N Show InChI InChI=1S/C23H26N4O3/c24-15-16-5-3-6-18(13-16)20(14-22(29)30)27-21(28)9-2-1-8-19-11-10-17-7-4-12-25-23(17)26-19/h3,5-6,10-11,13,20H,1-2,4,7-9,12,14H2,(H,25,26)(H,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta5 (unknown origin)-mediated K562 cell adhesion to vitronectin coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50497605 (CHEMBL3356163) Show SMILES COc1cccc(c1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C23H29N3O4/c1-30-19-9-4-6-17(14-19)20(15-22(28)29)26-21(27)10-3-2-8-18-12-11-16-7-5-13-24-23(16)25-18/h4,6,9,11-12,14,20H,2-3,5,7-8,10,13,15H2,1H3,(H,24,25)(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50497636 (CHEMBL3356173) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H26F3N3O3/c24-23(25,26)17-7-3-5-16(13-17)19(14-21(31)32)29-20(30)9-2-1-8-18-11-10-15-6-4-12-27-22(15)28-18/h3,5,7,10-11,13,19H,1-2,4,6,8-9,12,14H2,(H,27,28)(H,29,30)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta5 (unknown origin)-mediated K562 cell adhesion to vitronectin coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50497624 (CHEMBL3356165) Show SMILES Cc1ccc(cc1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C23H29N3O3/c1-16-8-10-17(11-9-16)20(15-22(28)29)26-21(27)7-3-2-6-19-13-12-18-5-4-14-24-23(18)25-19/h8-13,20H,2-7,14-15H2,1H3,(H,24,25)(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50497629 (CHEMBL3356162) Show SMILES Cc1cccc(c1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C23H29N3O3/c1-16-6-4-7-18(14-16)20(15-22(28)29)26-21(27)10-3-2-9-19-12-11-17-8-5-13-24-23(17)25-19/h4,6-7,11-12,14,20H,2-3,5,8-10,13,15H2,1H3,(H,24,25)(H,26,27)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta5 (unknown origin)-mediated K562 cell adhesion to vitronectin coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50497606 (CHEMBL3356166) Show SMILES COc1ccc(cc1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C23H29N3O4/c1-30-19-12-9-16(10-13-19)20(15-22(28)29)26-21(27)7-3-2-6-18-11-8-17-5-4-14-24-23(17)25-18/h8-13,20H,2-7,14-15H2,1H3,(H,24,25)(H,26,27)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta5 (unknown origin)-mediated K562 cell adhesion to vitronectin coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50497614 (CHEMBL3356178) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H25Cl2N3O3/c23-17-10-8-15(12-18(17)24)19(13-21(29)30)27-20(28)6-2-1-5-16-9-7-14-4-3-11-25-22(14)26-16/h7-10,12,19H,1-6,11,13H2,(H,25,26)(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50497618 (CHEMBL3356158) Show SMILES Cc1ccccc1C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C23H29N3O3/c1-16-7-2-4-10-19(16)20(15-22(28)29)26-21(27)11-5-3-9-18-13-12-17-8-6-14-24-23(17)25-18/h2,4,7,10,12-13,20H,3,5-6,8-9,11,14-15H2,1H3,(H,24,25)(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50497633 (CHEMBL3356180) Show SMILES Cc1ccc(cc1C)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C24H31N3O3/c1-16-9-10-19(14-17(16)2)21(15-23(29)30)27-22(28)8-4-3-7-20-12-11-18-6-5-13-25-24(18)26-20/h9-12,14,21H,3-8,13,15H2,1-2H3,(H,25,26)(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50497633 (CHEMBL3356180) Show SMILES Cc1ccc(cc1C)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C24H31N3O3/c1-16-9-10-19(14-17(16)2)21(15-23(29)30)27-22(28)8-4-3-7-20-12-11-18-6-5-13-25-24(18)26-20/h9-12,14,21H,3-8,13,15H2,1-2H3,(H,25,26)(H,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta5 (unknown origin)-mediated K562 cell adhesion to vitronectin coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50497632 (CHEMBL3356174) Show SMILES OC(=O)C[C@H](NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C23H26F3N3O3/c24-23(25,26)17-7-3-5-16(13-17)19(14-21(31)32)29-20(30)9-2-1-8-18-11-10-15-6-4-12-27-22(15)28-18/h3,5,7,10-11,13,19H,1-2,4,6,8-9,12,14H2,(H,27,28)(H,29,30)(H,31,32)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta5 (unknown origin)-mediated K562 cell adhesion to vitronectin coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50497622 (CHEMBL3356185) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C23H25ClF3N3O3/c24-18-10-8-15(12-17(18)23(25,26)27)19(13-21(32)33)30-20(31)6-2-1-5-16-9-7-14-4-3-11-28-22(14)29-16/h7-10,12,19H,1-6,11,13H2,(H,28,29)(H,30,31)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta6 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50497607 (CHEMBL3356183) Show SMILES COc1ccc(cc1OC)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C24H31N3O5/c1-31-20-12-10-17(14-21(20)32-2)19(15-23(29)30)27-22(28)8-4-3-7-18-11-9-16-6-5-13-25-24(16)26-18/h9-12,14,19H,3-8,13,15H2,1-2H3,(H,25,26)(H,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta5 (unknown origin)-mediated K562 cell adhesion to vitronectin coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50497621 (CHEMBL3356164) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(F)cc1 Show InChI InChI=1S/C22H26FN3O3/c23-17-10-7-15(8-11-17)19(14-21(28)29)26-20(27)6-2-1-5-18-12-9-16-4-3-13-24-22(16)25-18/h7-12,19H,1-6,13-14H2,(H,24,25)(H,26,27)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta5 (unknown origin)-mediated K562 cell adhesion to vitronectin coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50497605 (CHEMBL3356163) Show SMILES COc1cccc(c1)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C23H29N3O4/c1-30-19-9-4-6-17(14-19)20(15-22(28)29)26-21(27)10-3-2-8-18-12-11-16-7-5-13-24-23(16)25-18/h4,6,9,11-12,14,20H,2-3,5,7-8,10,13,15H2,1H3,(H,24,25)(H,26,27)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta5 (unknown origin)-mediated K562 cell adhesion to vitronectin coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50497622 (CHEMBL3356185) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C23H25ClF3N3O3/c24-18-10-8-15(12-17(18)23(25,26)27)19(13-21(32)33)30-20(31)6-2-1-5-16-9-7-14-4-3-11-28-22(14)29-16/h7-10,12,19H,1-6,11,13H2,(H,28,29)(H,30,31)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63.1	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta5 (unknown origin)-mediated K562 cell adhesion to vitronectin coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50497622 (CHEMBL3356185) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(Cl)c(c1)C(F)(F)F Show InChI InChI=1S/C23H25ClF3N3O3/c24-18-10-8-15(12-17(18)23(25,26)27)19(13-21(32)33)30-20(31)6-2-1-5-16-9-7-14-4-3-11-28-22(14)29-16/h7-10,12,19H,1-6,11,13H2,(H,28,29)(H,30,31)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63.1	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta6 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM8961 (1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...) Show SMILES Nc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
University of Waterloo Curated by ChEMBL					Assay Description Inhibition of human AChE by Ellman's assay				Bioorg Med Chem Lett 21: 5881-7 (2011) Article DOI: 10.1016/j.bmcl.2011.07.091 BindingDB Entry DOI: 10.7270/Q2C829P7
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50497617 (CHEMBL3356167) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(cc1)C#N Show InChI InChI=1S/C23H26N4O3/c24-15-16-7-9-17(10-8-16)20(14-22(29)30)27-21(28)6-2-1-5-19-12-11-18-4-3-13-25-23(18)26-19/h7-12,20H,1-6,13-14H2,(H,25,26)(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50497608 (CHEMBL3356161) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(Cl)c1 Show InChI InChI=1S/C22H26ClN3O3/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)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50497627 (CHEMBL3356155) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccccc1 Show InChI InChI=1S/C22H27N3O3/c26-20(25-19(15-21(27)28)16-7-2-1-3-8-16)11-5-4-10-18-13-12-17-9-6-14-23-22(17)24-18/h1-3,7-8,12-13,19H,4-6,9-11,14-15H2,(H,23,24)(H,25,26)(H,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta5 (unknown origin)-mediated K562 cell adhesion to vitronectin coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50497632 (CHEMBL3356174) Show SMILES OC(=O)C[C@H](NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C23H26F3N3O3/c24-23(25,26)17-7-3-5-16(13-17)19(14-21(31)32)29-20(30)9-2-1-8-18-11-10-15-6-4-12-27-22(15)28-18/h3,5,7,10-11,13,19H,1-2,4,6,8-9,12,14H2,(H,27,28)(H,29,30)(H,31,32)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta6 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50497620 (CHEMBL3356176) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C23H26F3N3O4/c24-23(25,26)33-18-8-3-5-16(13-18)19(14-21(31)32)29-20(30)9-2-1-7-17-11-10-15-6-4-12-27-22(15)28-17/h3,5,8,10-11,13,19H,1-2,4,6-7,9,12,14H2,(H,27,28)(H,29,30)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta5 (unknown origin)-mediated K562 cell adhesion to vitronectin coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50497610 (CHEMBL3356181) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc2CCCc2c1 Show InChI InChI=1S/C25H31N3O3/c29-23(9-2-1-8-21-13-12-18-7-4-14-26-25(18)27-21)28-22(16-24(30)31)20-11-10-17-5-3-6-19(17)15-20/h10-13,15,22H,1-9,14,16H2,(H,26,27)(H,28,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta5 (unknown origin)-mediated K562 cell adhesion to vitronectin coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50497607 (CHEMBL3356183) Show SMILES COc1ccc(cc1OC)C(CC(O)=O)NC(=O)CCCCc1ccc2CCCNc2n1 Show InChI InChI=1S/C24H31N3O5/c1-31-20-12-10-17(14-21(20)32-2)19(15-23(29)30)27-22(28)8-4-3-7-18-11-9-16-6-5-13-25-24(16)26-18/h9-12,14,19H,3-8,13,15H2,1-2H3,(H,25,26)(H,27,28)(H,29,30)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50497611 (CHEMBL3356156) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccccc1F Show InChI InChI=1S/C22H26FN3O3/c23-18-9-3-2-8-17(18)19(14-21(28)29)26-20(27)10-4-1-7-16-12-11-15-6-5-13-24-22(15)25-16/h2-3,8-9,11-12,19H,1,4-7,10,13-14H2,(H,24,25)(H,26,27)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta5 (unknown origin)-mediated K562 cell adhesion to vitronectin coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50497632 (CHEMBL3356174) Show SMILES OC(=O)C[C@H](NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(c1)C(F)(F)F |r| Show InChI InChI=1S/C23H26F3N3O3/c24-23(25,26)17-7-3-5-16(13-17)19(14-21(31)32)29-20(30)9-2-1-8-18-11-10-15-6-4-12-27-22(15)28-18/h3,5,7,10-11,13,19H,1-2,4,6,8-9,12,14H2,(H,27,28)(H,29,30)(H,31,32)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-6 (Homo sapiens (Human))	BDBM50497636 (CHEMBL3356173) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H26F3N3O3/c24-23(25,26)17-7-3-5-16(13-17)19(14-21(31)32)29-20(30)9-2-1-8-18-11-10-15-6-4-12-27-22(15)28-18/h3,5,7,10-11,13,19H,1-2,4,6,8-9,12,14H2,(H,27,28)(H,29,30)(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta6 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50497621 (CHEMBL3356164) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(F)cc1 Show InChI InChI=1S/C22H26FN3O3/c23-17-10-7-15(8-11-17)19(14-21(28)29)26-20(27)6-2-1-5-18-12-9-16-4-3-13-24-22(16)25-18/h7-12,19H,1-6,13-14H2,(H,24,25)(H,26,27)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50497627 (CHEMBL3356155) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccccc1 Show InChI InChI=1S/C22H27N3O3/c26-20(25-19(15-21(27)28)16-7-2-1-3-8-16)11-5-4-10-18-13-12-17-9-6-14-23-22(17)24-18/h1-3,7-8,12-13,19H,4-6,9-11,14-15H2,(H,23,24)(H,25,26)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50497614 (CHEMBL3356178) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C22H25Cl2N3O3/c23-17-10-8-15(12-18(17)24)19(13-21(29)30)27-20(28)6-2-1-5-16-9-7-14-4-3-11-25-22(14)26-16/h7-10,12,19H,1-6,11,13H2,(H,25,26)(H,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta5 (unknown origin)-mediated K562 cell adhesion to vitronectin coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50497609 (CHEMBL3356171) Show SMILES OC(=O)CC(NC(=O)CCCCc1ccc2CCCNc2n1)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H31N3O3/c32-26(11-5-4-10-24-17-16-23-9-6-18-29-28(23)30-24)31-25(19-27(33)34)22-14-12-21(13-15-22)20-7-2-1-3-8-20/h1-3,7-8,12-17,25H,4-6,9-11,18-19H2,(H,29,30)(H,31,32)(H,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Nottingham Curated by ChEMBL					Assay Description Inhibition of integrin alphavbeta3 (unknown origin)-mediated K562 cell adhesion to LAPb1 coated surface by fluorescence analysis				ACS Med Chem Lett 5: 1207-12 (2014) Article DOI: 10.1021/ml5002079 BindingDB Entry DOI: 10.7270/Q2K07781
					More data for this Ligand-Target Pair

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