Compile Data Set for Download or QSAR

Found 74 hits with Last Name = 'dressen' and Initial = 'db'   

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
Presenilin-1 (Homo sapiens (Human))	BDBM50481163 (CHEMBL568933) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C2CCCC1c1cn[nH]c1C2 |TLB:17:16:12.13.14:10| Show InChI InChI=1S/C15H16ClN3O2S/c16-10-4-6-12(7-5-10)22(20,21)19-11-2-1-3-15(19)13-9-17-18-14(13)8-11/h4-7,9,11,15H,1-3,8H2,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484309 (CHEMBL1837047) Show SMILES Fc1ccccc1C1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(nc1)C(F)(F)F |THB:19:18:8.17.7:10.15.11| Show InChI InChI=1S/C21H18F4N4O2S/c22-17-4-2-1-3-15(17)12-7-13-9-18-16(11-27-28-18)19(8-12)29(13)32(30,31)14-5-6-20(26-10-14)21(23,24)25/h1-6,10-13,19H,7-9H2,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484305 (CHEMBL1837046) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C2CC[C@H](C1c1cn[nH]c1C2)c1ccccc1 |r,TLB:10:13:15.17.16:24.19.23| Show InChI InChI=1S/C22H20F3N3O2S/c23-22(24,25)15-6-9-17(10-7-15)31(29,30)28-16-8-11-18(14-4-2-1-3-5-14)21(28)19-13-26-27-20(19)12-16/h1-7,9-10,13,16,18,21H,8,11-12H2,(H,26,27)/t16?,18-,21?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338194 ((2S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(2-(ethy...) Show SMILES CCCN(CC)c1ncc(c(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(O)=O)n1)-c1ccccc1C |r| Show InChI InChI=1S/C28H35N5O4/c1-6-16-33(7-2)27-29-18-23(22-11-9-8-10-19(22)3)25(31-27)30-24(26(34)35)17-20-12-14-21(15-13-20)37-28(36)32(4)5/h8-15,18,24H,6-7,16-17H2,1-5H3,(H,34,35)(H,29,30,31)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484299 (CHEMBL1837061) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C2CC(CC1c1cn[nH]c1C2)c1csnn1 |TLB:7:10:12.14.13:21.16.20| Show InChI InChI=1S/C17H16ClN5O2S2/c18-11-1-3-13(4-2-11)27(24,25)23-12-5-10(16-9-26-22-21-16)6-17(23)14-8-19-20-15(14)7-12/h1-4,8-10,12,17H,5-7H2,(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338182 ((2S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-(3-me...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2sccc2C)C(O)=O)cc1 |r| Show InChI InChI=1S/C21H22N4O4S/c1-13-8-9-30-18(13)16-11-22-12-23-19(16)24-17(20(26)27)10-14-4-6-15(7-5-14)29-21(28)25(2)3/h4-9,11-12,17H,10H2,1-3H3,(H,26,27)(H,22,23,24)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338192 ((2S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(2-(ethy...) Show SMILES CCN(C)c1ncc(c(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(O)=O)n1)-c1ccccc1C |r| Show InChI InChI=1S/C26H31N5O4/c1-6-31(5)25-27-16-21(20-10-8-7-9-17(20)2)23(29-25)28-22(24(32)33)15-18-11-13-19(14-12-18)35-26(34)30(3)4/h7-14,16,22H,6,15H2,1-5H3,(H,32,33)(H,27,28,29)/t22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338193 ((2S)-2-(2-(diethylamino)-5-ortho-tolylpyrimidin-4-...) Show SMILES CCN(CC)c1ncc(c(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(O)=O)n1)-c1ccccc1C |r| Show InChI InChI=1S/C27H33N5O4/c1-6-32(7-2)26-28-17-22(21-11-9-8-10-18(21)3)24(30-26)29-23(25(33)34)16-19-12-14-20(15-13-19)36-27(35)31(4)5/h8-15,17,23H,6-7,16H2,1-5H3,(H,33,34)(H,28,29,30)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484306 (CHEMBL1837060) Show SMILES FC(F)(F)c1csc(n1)C1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(nc1)C(F)(F)F |THB:21:20:10.19.9:12.17.13| Show InChI InChI=1S/C19H15F6N5O2S2/c20-18(21,22)15-2-1-11(6-26-15)34(31,32)30-10-3-9(17-28-16(8-33-17)19(23,24)25)4-14(30)12-7-27-29-13(12)5-10/h1-2,6-10,14H,3-5H2,(H,27,29)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338187 ((2S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(2-(isob...) Show SMILES CC(C)CN(C)c1ncc(c(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(O)=O)n1)-c1ccccc1C |r| Show InChI InChI=1S/C28H35N5O4/c1-18(2)17-33(6)27-29-16-23(22-10-8-7-9-19(22)3)25(31-27)30-24(26(34)35)15-20-11-13-21(14-12-20)37-28(36)32(4)5/h7-14,16,18,24H,15,17H2,1-6H3,(H,34,35)(H,29,30,31)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338184 ((S)-2-(2-(cyclohexyl(methyl)amino)quinazolin-4-yla...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2nc(nc3ccccc23)N(C)C2CCCCC2)C(O)=O)cc1 |r| Show InChI InChI=1S/C27H33N5O4/c1-31(2)27(35)36-20-15-13-18(14-16-20)17-23(25(33)34)28-24-21-11-7-8-12-22(21)29-26(30-24)32(3)19-9-5-4-6-10-19/h7-8,11-16,19,23H,4-6,9-10,17H2,1-3H3,(H,33,34)(H,28,29,30)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484300 (CHEMBL1837059) Show SMILES Cc1noc(n1)C1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(Cl)cc1 |THB:18:17:7.16.6:9.14.10| Show InChI InChI=1S/C18H18ClN5O3S/c1-10-21-18(27-23-10)11-6-13-8-16-15(9-20-22-16)17(7-11)24(13)28(25,26)14-4-2-12(19)3-5-14/h2-5,9,11,13,17H,6-8H2,1H3,(H,20,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484312 (CHEMBL1837048) Show SMILES Fc1cccc(c1)C1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(nc1)C(F)(F)F |THB:19:18:8.17.7:10.15.11| Show InChI InChI=1S/C21H18F4N4O2S/c22-14-3-1-2-12(6-14)13-7-15-9-18-17(11-27-28-18)19(8-13)29(15)32(30,31)16-4-5-20(26-10-16)21(23,24)25/h1-6,10-11,13,15,19H,7-9H2,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338189 ((2S)-2-(2-(cyclobutyl(methyl)amino)-5-ortho-tolylp...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2nc(ncc2-c2ccccc2C)N(C)C2CCC2)C(O)=O)cc1 |r| Show InChI InChI=1S/C28H33N5O4/c1-18-8-5-6-11-22(18)23-17-29-27(33(4)20-9-7-10-20)31-25(23)30-24(26(34)35)16-19-12-14-21(15-13-19)37-28(36)32(2)3/h5-6,8,11-15,17,20,24H,7,9-10,16H2,1-4H3,(H,34,35)(H,29,30,31)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484297 (CHEMBL1837042) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C2CC(CC1c1cn[nH]c1C2)c1ccccc1 |TLB:10:13:15.17.16:24.19.23| Show InChI InChI=1S/C22H20F3N3O2S/c23-22(24,25)16-6-8-18(9-7-16)31(29,30)28-17-10-15(14-4-2-1-3-5-14)11-21(28)19-13-26-27-20(19)12-17/h1-9,13,15,17,21H,10-12H2,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338181 ((S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-(thiop...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2cccs2)C(O)=O)cc1 |r| Show InChI InChI=1S/C20H20N4O4S/c1-24(2)20(27)28-14-7-5-13(6-8-14)10-16(19(25)26)23-18-15(11-21-12-22-18)17-4-3-9-29-17/h3-9,11-12,16H,10H2,1-2H3,(H,25,26)(H,21,22,23)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338173 ((2S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-(2-me...) Show SMILES COc1ccccc1-c1cncnc1N[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(O)=O |r| Show InChI InChI=1S/C23H24N4O5/c1-27(2)23(30)32-16-10-8-15(9-11-16)12-19(22(28)29)26-21-18(13-24-14-25-21)17-6-4-5-7-20(17)31-3/h4-11,13-14,19H,12H2,1-3H3,(H,28,29)(H,24,25,26)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484296 (CHEMBL1837043) Show SMILES FC(F)(F)c1ccc(cn1)S(=O)(=O)N1C2CC(CC1c1cn[nH]c1C2)c1ccccc1 |TLB:10:13:15.17.16:24.19.23| Show InChI InChI=1S/C21H19F3N4O2S/c22-21(23,24)20-7-6-16(11-25-20)31(29,30)28-15-8-14(13-4-2-1-3-5-13)9-19(28)17-12-26-27-18(17)10-15/h1-7,11-12,14-15,19H,8-10H2,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD 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
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338174 ((2S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-(2-fl...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2ccccc2F)C(O)=O)cc1 |r| Show InChI InChI=1S/C22H21FN4O4/c1-27(2)22(30)31-15-9-7-14(8-10-15)11-19(21(28)29)26-20-17(12-24-13-25-20)16-5-3-4-6-18(16)23/h3-10,12-13,19H,11H2,1-2H3,(H,28,29)(H,24,25,26)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338188 ((2S)-2-(2-(cyclopropyl(methyl)amino)-5-ortho-tolyl...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2nc(ncc2-c2ccccc2C)N(C)C2CC2)C(O)=O)cc1 |r| Show InChI InChI=1S/C27H31N5O4/c1-17-7-5-6-8-21(17)22-16-28-26(32(4)19-11-12-19)30-24(22)29-23(25(33)34)15-18-9-13-20(14-10-18)36-27(35)31(2)3/h5-10,13-14,16,19,23H,11-12,15H2,1-4H3,(H,33,34)(H,28,29,30)/t23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338185 ((2S)-2-(2-(cyclohexyl(methyl)amino)-5-ortho-tolylp...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2nc(ncc2-c2ccccc2C)N(C)C2CCCCC2)C(O)=O)cc1 |r| Show InChI InChI=1S/C30H37N5O4/c1-20-10-8-9-13-24(20)25-19-31-29(35(4)22-11-6-5-7-12-22)33-27(25)32-26(28(36)37)18-21-14-16-23(17-15-21)39-30(38)34(2)3/h8-10,13-17,19,22,26H,5-7,11-12,18H2,1-4H3,(H,36,37)(H,31,32,33)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484295 (CHEMBL1837045) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C2Cc3[nH]ncc3C1CC[C@H]2c1ccccc1 |r,THB:10:13:22.24.23:15.16.20| Show InChI InChI=1S/C22H20F3N3O2S/c23-22(24,25)15-6-8-16(9-7-15)31(29,30)28-20-11-10-17(14-4-2-1-3-5-14)21(28)12-19-18(20)13-26-27-19/h1-9,13,17,20-21H,10-12H2,(H,26,27)/t17-,20?,21?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484303 (CHEMBL1837049) Show SMILES Fc1ccc(cc1)C1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(nc1)C(F)(F)F |THB:19:18:8.17.7:10.15.11| Show InChI InChI=1S/C21H18F4N4O2S/c22-14-3-1-12(2-4-14)13-7-15-9-18-17(11-27-28-18)19(8-13)29(15)32(30,31)16-5-6-20(26-10-16)21(23,24)25/h1-6,10-11,13,15,19H,7-9H2,(H,27,28)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338171 ((2S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-ortho...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2ccccc2C)C(O)=O)cc1 |r| Show InChI InChI=1S/C23H24N4O4/c1-15-6-4-5-7-18(15)19-13-24-14-25-21(19)26-20(22(28)29)12-16-8-10-17(11-9-16)31-23(30)27(2)3/h4-11,13-14,20H,12H2,1-3H3,(H,28,29)(H,24,25,26)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338175 ((S)-2-(5-(2,6-difluorophenyl)pyrimidin-4-ylamino)-...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2c(F)cccc2F)C(O)=O)cc1 |r,wU:11.11,(56.65,-6.2,;55.32,-5.44,;55.31,-3.9,;53.98,-6.21,;53.99,-7.75,;52.65,-5.44,;51.32,-6.22,;51.32,-7.76,;49.99,-8.53,;48.66,-7.76,;47.32,-8.53,;47.33,-10.07,;45.99,-10.84,;44.66,-10.08,;44.65,-8.53,;43.32,-7.76,;41.99,-8.53,;41.99,-10.08,;43.32,-10.85,;43.32,-12.39,;41.99,-13.16,;40.66,-12.39,;41.99,-14.7,;43.33,-15.47,;44.66,-14.69,;44.66,-13.15,;45.99,-12.38,;48.66,-10.84,;49.99,-10.07,;48.66,-12.38,;48.65,-6.22,;49.97,-5.45,)| Show InChI InChI=1S/C22H20F2N4O4/c1-28(2)22(31)32-14-8-6-13(7-9-14)10-18(21(29)30)27-20-15(11-25-12-26-20)19-16(23)4-3-5-17(19)24/h3-9,11-12,18H,10H2,1-2H3,(H,29,30)(H,25,26,27)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484308 (CHEMBL1837050) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C2CC(CC1c1cn[nH]c1C2)c1ccc(cc1)N1CCOC1=O |TLB:10:13:15.17.16:24.19.23| Show InChI InChI=1S/C25H23F3N4O4S/c26-25(27,28)17-3-7-20(8-4-17)37(34,35)32-19-11-16(12-23(32)21-14-29-30-22(21)13-19)15-1-5-18(6-2-15)31-9-10-36-24(31)33/h1-8,14,16,19,23H,9-13H2,(H,29,30)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484301 (CHEMBL1837053) Show SMILES CC(=O)Nc1cccc(c1)C1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(cc1)C(F)(F)F |THB:22:21:11.20.10:13.18.14| Show InChI InChI=1S/C24H23F3N4O3S/c1-14(32)29-18-4-2-3-15(9-18)16-10-19-12-22-21(13-28-30-22)23(11-16)31(19)35(33,34)20-7-5-17(6-8-20)24(25,26)27/h2-9,13,16,19,23H,10-12H2,1H3,(H,28,30)(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338186 ((2S)-2-(2-(dimethylamino)-5-ortho-tolylpyrimidin-4...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2nc(ncc2-c2ccccc2C)N(C)C)C(O)=O)cc1 |r| Show InChI InChI=1S/C25H29N5O4/c1-16-8-6-7-9-19(16)20-15-26-24(29(2)3)28-22(20)27-21(23(31)32)14-17-10-12-18(13-11-17)34-25(33)30(4)5/h6-13,15,21H,14H2,1-5H3,(H,31,32)(H,26,27,28)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484304 (CHEMBL1837044) Show SMILES Clc1ccc(s1)S(=O)(=O)N1C2CC(CC1c1cn[nH]c1C2)c1ccccc1 |TLB:6:9:11.13.12:20.15.19| Show InChI InChI=1S/C19H18ClN3O2S2/c20-18-6-7-19(26-18)27(24,25)23-14-8-13(12-4-2-1-3-5-12)9-17(23)15-11-21-22-16(15)10-14/h1-7,11,13-14,17H,8-10H2,(H,21,22)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338195 ((2S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(2-(pipe...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2nc(ncc2-c2ccccc2C)N2CCCCC2)C(O)=O)cc1 |r| Show InChI InChI=1S/C28H33N5O4/c1-19-9-5-6-10-22(19)23-18-29-27(33-15-7-4-8-16-33)31-25(23)30-24(26(34)35)17-20-11-13-21(14-12-20)37-28(36)32(2)3/h5-6,9-14,18,24H,4,7-8,15-17H2,1-3H3,(H,34,35)(H,29,30,31)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484294 (CHEMBL1837051) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C2CC(CC1c1cn[nH]c1C2)c1ccc(cc1)-n1ccnc1 |TLB:10:13:15.17.16:24.19.23| Show InChI InChI=1S/C25H22F3N5O2S/c26-25(27,28)18-3-7-21(8-4-18)36(34,35)33-20-11-17(12-24(33)22-14-30-31-23(22)13-20)16-1-5-19(6-2-16)32-10-9-29-15-32/h1-10,14-15,17,20,24H,11-13H2,(H,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484294 (CHEMBL1837051) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C2CC(CC1c1cn[nH]c1C2)c1ccc(cc1)-n1ccnc1 |TLB:10:13:15.17.16:24.19.23| Show InChI InChI=1S/C25H22F3N5O2S/c26-25(27,28)18-3-7-21(8-4-18)36(34,35)33-20-11-17(12-24(33)22-14-30-31-23(22)13-20)16-1-5-19(6-2-16)32-10-9-29-15-32/h1-10,14-15,17,20,24H,11-13H2,(H,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338190 ((2S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(2-(meth...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2nc(ncc2-c2ccccc2C)N(C)C2CCN(C)CC2)C(O)=O)cc1 |r| Show InChI InChI=1S/C30H38N6O4/c1-20-8-6-7-9-24(20)25-19-31-29(36(5)22-14-16-35(4)17-15-22)33-27(25)32-26(28(37)38)18-21-10-12-23(13-11-21)40-30(39)34(2)3/h6-13,19,22,26H,14-18H2,1-5H3,(H,37,38)(H,31,32,33)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	68	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338183 ((S)-2-(5-(1H-pyrrol-2-yl)pyrimidin-4-ylamino)-3-(4...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2ccc[nH]2)C(O)=O)cc1 |r| Show InChI InChI=1S/C20H21N5O4/c1-25(2)20(28)29-14-7-5-13(6-8-14)10-17(19(26)27)24-18-15(11-21-12-23-18)16-4-3-9-22-16/h3-9,11-12,17,22H,10H2,1-2H3,(H,26,27)(H,21,23,24)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338176 ((2S)-2-(5-(2,3-dichlorophenyl)pyrimidin-4-ylamino)...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2cccc(Cl)c2Cl)C(O)=O)cc1 |r| Show InChI InChI=1S/C22H20Cl2N4O4/c1-28(2)22(31)32-14-8-6-13(7-9-14)10-18(21(29)30)27-20-16(11-25-12-26-20)15-4-3-5-17(23)19(15)24/h3-9,11-12,18H,10H2,1-2H3,(H,29,30)(H,25,26,27)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338180 ((S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-(pyrid...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2ccncc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C21H21N5O4/c1-26(2)21(29)30-16-5-3-14(4-6-16)11-18(20(27)28)25-19-17(12-23-13-24-19)15-7-9-22-10-8-15/h3-10,12-13,18H,11H2,1-2H3,(H,27,28)(H,23,24,25)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338172 ((2S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-(2-(t...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2ccccc2C(F)(F)F)C(O)=O)cc1 |r| Show InChI InChI=1S/C23H21F3N4O4/c1-30(2)22(33)34-15-9-7-14(8-10-15)11-19(21(31)32)29-20-17(12-27-13-28-20)16-5-3-4-6-18(16)23(24,25)26/h3-10,12-13,19H,11H2,1-2H3,(H,31,32)(H,27,28,29)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484302 (CHEMBL1837052) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C2CC(CC1c1cn[nH]c1C2)c1ccc(cc1)-c1cncs1 |TLB:10:13:15.17.16:24.19.23| Show InChI InChI=1S/C25H21F3N4O2S2/c26-25(27,28)18-5-7-20(8-6-18)36(33,34)32-19-9-17(10-23(32)21-12-30-31-22(21)11-19)15-1-3-16(4-2-15)24-13-29-14-35-24/h1-8,12-14,17,19,23H,9-11H2,(H,30,31)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484310 (CHEMBL1837056) Show SMILES Cc1cnc(o1)C1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(nc1)C(F)(F)F |THB:18:17:7.16.6:9.14.10| Show InChI InChI=1S/C19H18F3N5O3S/c1-10-7-24-18(30-10)11-4-12-6-15-14(9-25-26-15)16(5-11)27(12)31(28,29)13-2-3-17(23-8-13)19(20,21)22/h2-3,7-9,11-12,16H,4-6H2,1H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338177 ((S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-mesity...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2c(C)cc(C)cc2C)C(O)=O)cc1 |r,wU:11.11,(22.27,-21.39,;20.94,-20.63,;20.93,-19.09,;19.61,-21.4,;19.61,-22.94,;18.27,-20.63,;16.94,-21.41,;16.94,-22.95,;15.61,-23.72,;14.28,-22.95,;12.95,-23.72,;12.95,-25.26,;11.62,-26.03,;10.28,-25.27,;10.28,-23.72,;8.94,-22.95,;7.61,-23.72,;7.61,-25.27,;8.94,-26.04,;8.94,-27.58,;7.61,-28.35,;6.28,-27.58,;7.61,-29.89,;8.95,-30.66,;8.95,-32.2,;10.29,-29.88,;10.28,-28.34,;11.61,-27.57,;14.28,-26.03,;15.62,-25.26,;14.29,-27.57,;14.27,-21.41,;15.59,-20.64,)| Show InChI InChI=1S/C25H28N4O4/c1-15-10-16(2)22(17(3)11-15)20-13-26-14-27-23(20)28-21(24(30)31)12-18-6-8-19(9-7-18)33-25(32)29(4)5/h6-11,13-14,21H,12H2,1-5H3,(H,30,31)(H,26,27,28)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338191 ((2S)-2-(2-((4-chlorophenyl)(methyl)amino)-5-ortho-...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2nc(ncc2-c2ccccc2C)N(C)c2ccc(Cl)cc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C30H30ClN5O4/c1-19-7-5-6-8-24(19)25-18-32-29(36(4)22-13-11-21(31)12-14-22)34-27(25)33-26(28(37)38)17-20-9-15-23(16-10-20)40-30(39)35(2)3/h5-16,18,26H,17H2,1-4H3,(H,37,38)(H,32,33,34)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	107	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338179 ((S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-(pyrid...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2cccnc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C21H21N5O4/c1-26(2)21(29)30-16-7-5-14(6-8-16)10-18(20(27)28)25-19-17(12-23-13-24-19)15-4-3-9-22-11-15/h3-9,11-13,18H,10H2,1-2H3,(H,27,28)(H,23,24,25)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338168 ((S)-2-benzamido-3-(4-(dimethylcarbamoyloxy)phenyl)...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](NC(=O)c2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C19H20N2O5/c1-21(2)19(25)26-15-10-8-13(9-11-15)12-16(18(23)24)20-17(22)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,20,22)(H,23,24)/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484311 (CHEMBL1837057) Show SMILES Cc1cnc(s1)C1CC2Cc3[nH]ncc3C(C1)N2S(=O)(=O)c1ccc(nc1)C(F)(F)F |THB:18:17:7.16.6:9.14.10| Show InChI InChI=1S/C19H18F3N5O2S2/c1-10-7-24-18(30-10)11-4-12-6-15-14(9-25-26-15)16(5-11)27(12)31(28,29)13-2-3-17(23-8-13)19(20,21)22/h2-3,7-9,11-12,16H,4-6H2,1H3,(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338178 ((S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-(3-nit...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2cccc(c2)[N+]([O-])=O)C(O)=O)cc1 |r| Show InChI InChI=1S/C22H21N5O6/c1-26(2)22(30)33-17-8-6-14(7-9-17)10-19(21(28)29)25-20-18(12-23-13-24-20)15-4-3-5-16(11-15)27(31)32/h3-9,11-13,19H,10H2,1-2H3,(H,28,29)(H,23,24,25)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484292 (CHEMBL1837055) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C2CC(CC1c1cn[nH]c1C2)c1cccnc1 |TLB:10:13:15.17.16:24.19.23| Show InChI InChI=1S/C21H19F3N4O2S/c22-21(23,24)15-3-5-17(6-4-15)31(29,30)28-16-8-14(13-2-1-7-25-11-13)9-20(28)18-12-26-27-19(18)10-16/h1-7,11-12,14,16,20H,8-10H2,(H,26,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	187	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338169 ((S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(quinazol...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncnc3ccccc23)C(O)=O)cc1 |r| Show InChI InChI=1S/C20H20N4O4/c1-24(2)20(27)28-14-9-7-13(8-10-14)11-17(19(25)26)23-18-15-5-3-4-6-16(15)21-12-22-18/h3-10,12,17H,11H2,1-2H3,(H,25,26)(H,21,22,23)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50338170 ((S)-3-(4-(dimethylcarbamoyloxy)phenyl)-2-(5-phenyl...) Show SMILES CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2ccccc2)C(O)=O)cc1 |r| Show InChI InChI=1S/C22H22N4O4/c1-26(2)22(29)30-17-10-8-15(9-11-17)12-19(21(27)28)25-20-18(13-23-14-24-20)16-6-4-3-5-7-16/h3-11,13-14,19H,12H2,1-2H3,(H,27,28)(H,23,24,25)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of integrin alpha4beta1-mediated Jurkat cell adhesion to VCAM-1 by FACS analysis				Bioorg Med Chem Lett 21: 1741-3 (2011) Article DOI: 10.1016/j.bmcl.2011.01.075 BindingDB Entry DOI: 10.7270/Q2N58NM6
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484293 (CHEMBL1837054) Show SMILES Clc1ccc(cc1)S(=O)(=O)N1C2CC(CC1c1cn[nH]c1C2)c1nc2ccccc2[nH]1 |TLB:7:10:12.14.13:21.16.20| Show InChI InChI=1S/C22H20ClN5O2S/c23-14-5-7-16(8-6-14)31(29,30)28-15-9-13(10-21(28)17-12-24-27-20(17)11-15)22-25-18-3-1-2-4-19(18)26-22/h1-8,12-13,15,21H,9-11H2,(H,24,27)(H,25,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	437	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair
Presenilin-1 (Homo sapiens (Human))	BDBM50484298 (CHEMBL1837062) Show SMILES FC(F)(F)c1ccc(cc1)S(=O)(=O)N1C2CC(CC1c1cn[nH]c1C2)c1nc[nH]n1 |TLB:10:13:15.17.16:24.19.23| Show InChI InChI=1S/C18H17F3N6O2S/c19-18(20,21)11-1-3-13(4-2-11)30(28,29)27-12-5-10(17-22-9-24-26-17)6-16(27)14-8-23-25-15(14)7-12/h1-4,8-10,12,16H,5-7H2,(H,23,25)(H,22,24,26)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	767	n/a	n/a	n/a	n/a	n/a	n/a
Elan Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of gamma-secretase-mediated cleavage of amyloid precursor protein in human IMR32 cells after 2 hrs using MBPC-125 substrate by ELISA assay				Bioorg Med Chem Lett 21: 5791-4 (2011) Article DOI: 10.1016/j.bmcl.2011.08.008 BindingDB Entry DOI: 10.7270/Q27M0BSF
					More data for this Ligand-Target Pair

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