Compile Data Set for Download or QSAR

Found 133 hits with Last Name = 'fitzgerald' and Initial = 'g'   

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-4/beta-1 (Homo sapiens (Human))	BDBM50060228 ((5S,8R,13R,15aS)-8-{[(2R,3S)-1-Acetyl-3-(4-hydroxy...) Show SMILES CC(=O)N1CC[C@H]([C@@H]1C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC1=O)C(O)=O)c1ccc(O)cc1 Show InChI InChI=1S/C27H35N5O9S2/c1-14(34)31-10-8-17(15-4-6-16(35)7-5-15)22(31)25(38)29-19-12-42-43-13-20(27(40)41)30-24(37)21-3-2-9-32(21)26(39)18(11-33)28-23(19)36/h4-7,17-22,33,35H,2-3,8-13H2,1H3,(H,28,36)(H,29,38)(H,30,37)(H,40,41)/t17-,18-,19-,20-,21-,22+/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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060185 ((6S,9R,14R,16aS)-9-[(S)-2-Acetylamino-3-(4-hydroxy...) Show SMILES C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCCN2C1=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O Show InChI InChI=1S/C26H35N5O8S2/c1-14-25(37)31-10-4-3-5-21(31)24(36)30-20(26(38)39)13-41-40-12-19(23(35)27-14)29-22(34)18(28-15(2)32)11-16-6-8-17(33)9-7-16/h6-9,14,18-21,33H,3-5,10-13H2,1-2H3,(H,27,35)(H,28,32)(H,29,34)(H,30,36)(H,38,39)/t14-,18-,19-,20-,21-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060226 ((5S,8R,13R,15aS)-8-[(S)-2-Acetylamino-3-(4-hydroxy...) Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC1=O)C(O)=O Show InChI InChI=1S/C25H33N5O9S2/c1-13(32)26-16(9-14-4-6-15(33)7-5-14)21(34)28-18-11-40-41-12-19(25(38)39)29-23(36)20-3-2-8-30(20)24(37)17(10-31)27-22(18)35/h4-7,16-20,31,33H,2-3,8-12H2,1H3,(H,26,32)(H,27,35)(H,28,34)(H,29,36)(H,38,39)/t16-,17-,18-,19-,20-/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	2	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50108219 ((5S,8R,13R)-8-[(S)-2-Acetylamino-3-(4-hydroxy-phen...) Show SMILES [H][C@@]12CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](CSSC[C@H](NC2=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O Show InChI InChI=1S/C26H33N5O10S2/c1-13(32)27-16(9-14-4-6-15(33)7-5-14)22(36)29-18-11-42-43-12-19(26(40)41)30-24(38)20-3-2-8-31(20)25(39)17(10-21(34)35)28-23(18)37/h4-7,16-20,33H,2-3,8-12H2,1H3,(H,27,32)(H,28,37)(H,29,36)(H,30,38)(H,34,35)(H,40,41)/t16-,17-,18-,19-,20-/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	3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060183 ((5S,8R,13R,15aS)-8-[(S)-2-Acetylamino-3-(4-hydroxy...) Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(O)=O Show InChI InChI=1S/C31H37N5O9S2/c1-17(37)32-22(13-18-4-8-20(38)9-5-18)27(40)34-24-15-46-47-16-25(31(44)45)35-29(42)26-3-2-12-36(26)30(43)23(33-28(24)41)14-19-6-10-21(39)11-7-19/h4-11,22-26,38-39H,2-3,12-16H2,1H3,(H,32,37)(H,33,41)(H,34,40)(H,35,42)(H,44,45)/t22-,23-,24-,25-,26-/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	3	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060168 ((5S,8R,13R,15aS)-8-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC1=O)C(O)=O Show InChI InChI=1S/C24H31N5O9S2/c25-14(8-12-3-5-13(30)6-4-12)20(33)27-16-10-39-40-11-17(24(37)38)28-22(35)18-2-1-7-29(18)23(36)15(9-19(31)32)26-21(16)34/h3-6,14-18,30H,1-2,7-11,25H2,(H,26,34)(H,27,33)(H,28,35)(H,31,32)(H,37,38)/t14-,15-,16-,17-,18-/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	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060179 ((5S,8R,13R,15aS)-8-[(S)-2-Amino-3-(4-hydroxy-3-iod...) Show SMILES N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC1=O)C(O)=O Show InChI InChI=1S/C23H30IN5O8S2/c24-12-6-11(3-4-18(12)31)7-13(25)19(32)27-15-9-38-39-10-16(23(36)37)28-21(34)17-2-1-5-29(17)22(35)14(8-30)26-20(15)33/h3-4,6,13-17,30-31H,1-2,5,7-10,25H2,(H,26,33)(H,27,32)(H,28,34)(H,36,37)/t13-,14-,15-,16-,17-/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	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060230 ((5S,8R,13R,15aS)-8-{[(2R,3R)-1-Acetyl-3-(4-hydroxy...) Show SMILES CC(=O)N1CC[C@@H]([C@@H]1C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC1=O)C(O)=O)c1ccc(O)cc1 Show InChI InChI=1S/C27H35N5O9S2/c1-14(34)31-10-8-17(15-4-6-16(35)7-5-15)22(31)25(38)29-19-12-42-43-13-20(27(40)41)30-24(37)21-3-2-9-32(21)26(39)18(11-33)28-23(19)36/h4-7,17-22,33,35H,2-3,8-13H2,1H3,(H,28,36)(H,29,38)(H,30,37)(H,40,41)/t17-,18+,19+,20+,21+,22-/m1/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	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060233 ((5S,8R,13R,15aS)-8-[(S)-2-Acetylamino-3-(4-hydroxy...) Show SMILES C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O Show InChI InChI=1S/C25H33N5O8S2/c1-13-24(36)30-9-3-4-20(30)23(35)29-19(25(37)38)12-40-39-11-18(22(34)26-13)28-21(33)17(27-14(2)31)10-15-5-7-16(32)8-6-15/h5-8,13,17-20,32H,3-4,9-12H2,1-2H3,(H,26,34)(H,27,31)(H,28,33)(H,29,35)(H,37,38)/t13-,17-,18-,19-,20-/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	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060173 ((5S,8R,13R,15aS)-8-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES [H][C@@]12C[C@@H](O)CN1C(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C23H31N5O8S2/c1-11-22(34)28-8-14(30)7-18(28)21(33)27-17(23(35)36)10-38-37-9-16(20(32)25-11)26-19(31)15(24)6-12-2-4-13(29)5-3-12/h2-5,11,14-18,29-30H,6-10,24H2,1H3,(H,25,32)(H,26,31)(H,27,33)(H,35,36)/t11-,14+,15-,16-,17-,18-/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
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060203 ((5S,8R,13R,15aS)-8-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C23H31N5O7S2/c1-12-22(33)28-8-2-3-18(28)21(32)27-17(23(34)35)11-37-36-10-16(20(31)25-12)26-19(30)15(24)9-13-4-6-14(29)7-5-13/h4-7,12,15-18,29H,2-3,8-11,24H2,1H3,(H,25,31)(H,26,30)(H,27,32)(H,34,35)/t12-,15-,16-,17-,18-/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
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50422231 (CHEMBL1790844) Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O Show InChI InChI=1S/C26H35N5O9S2/c1-13(32)21-25(38)31-9-3-4-20(31)24(37)29-19(26(39)40)12-42-41-11-18(23(36)30-21)28-22(35)17(27-14(2)33)10-15-5-7-16(34)8-6-15/h5-8,13,17-21,32,34H,3-4,9-12H2,1-2H3,(H,27,33)(H,28,35)(H,29,37)(H,30,36)(H,39,40)/t13-,17+,18+,19+,20+,21+/m1/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
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060196 ((5S,8R,13R,15aS)-8-[(S)-2-Amino-3-(3-chloro-4-hydr...) Show SMILES N[C@@H](Cc1ccc(O)c(Cl)c1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC1=O)C(O)=O Show InChI InChI=1S/C23H30ClN5O8S2/c24-12-6-11(3-4-18(12)31)7-13(25)19(32)27-15-9-38-39-10-16(23(36)37)28-21(34)17-2-1-5-29(17)22(35)14(8-30)26-20(15)33/h3-4,6,13-17,30-31H,1-2,5,7-10,25H2,(H,26,33)(H,27,32)(H,28,34)(H,36,37)/t13-,14-,15-,16-,17-/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
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060228 ((5S,8R,13R,15aS)-8-{[(2R,3S)-1-Acetyl-3-(4-hydroxy...) Show SMILES CC(=O)N1CC[C@H]([C@@H]1C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC1=O)C(O)=O)c1ccc(O)cc1 Show InChI InChI=1S/C27H35N5O9S2/c1-14(34)31-10-8-17(15-4-6-16(35)7-5-15)22(31)25(38)29-19-12-42-43-13-20(27(40)41)30-24(37)21-3-2-9-32(21)26(39)18(11-33)28-23(19)36/h4-7,17-22,33,35H,2-3,8-13H2,1H3,(H,28,36)(H,29,38)(H,30,37)(H,40,41)/t17-,18-,19-,20-,21-,22+/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
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of fluorescently labeled alpha4-beta1 positive Ramos cells binding to immobilized VCAM-1.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060202 ((4R,9R)-4-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propio...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)c2cccc(NC1=O)c2)C(O)=O Show InChI InChI=1S/C22H24N4O6S2/c23-16(8-12-4-6-15(27)7-5-12)20(29)25-17-10-33-34-11-18(22(31)32)26-19(28)13-2-1-3-14(9-13)24-21(17)30/h1-7,9,16-18,27H,8,10-11,23H2,(H,24,30)(H,25,29)(H,26,28)(H,31,32)/t16-,17-,18-/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
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of alpha4-beta1 binding to VCAM-1 in ELISA.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060193 ((5S,8R,13R,15aS)-8-[(S)-2-Amino-3-(3-fluoro-4-hydr...) Show SMILES N[C@@H](Cc1ccc(O)c(F)c1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC1=O)C(O)=O Show InChI InChI=1S/C23H30FN5O8S2/c24-12-6-11(3-4-18(12)31)7-13(25)19(32)27-15-9-38-39-10-16(23(36)37)28-21(34)17-2-1-5-29(17)22(35)14(8-30)26-20(15)33/h3-4,6,13-17,30-31H,1-2,5,7-10,25H2,(H,26,33)(H,27,32)(H,28,34)(H,36,37)/t13-,14-,15-,16-,17-/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
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060219 ((5S,8R,13R,15aS)-5-Hydroxymethyl-8-[3-(4-hydroxy-p...) Show SMILES OC[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)NC(=O)C(Cc1ccc(O)cc1)c1ccccc1 Show InChI InChI=1S/C29H34N4O8S2/c34-14-21-28(39)33-12-4-7-24(33)27(38)32-23(29(40)41)16-43-42-15-22(26(37)30-21)31-25(36)20(18-5-2-1-3-6-18)13-17-8-10-19(35)11-9-17/h1-3,5-6,8-11,20-24,34-35H,4,7,12-16H2,(H,30,37)(H,31,36)(H,32,38)(H,40,41)/t20?,21-,22-,23-,24-/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	13	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060185 ((6S,9R,14R,16aS)-9-[(S)-2-Acetylamino-3-(4-hydroxy...) Show SMILES C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCCN2C1=O)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O Show InChI InChI=1S/C26H35N5O8S2/c1-14-25(37)31-10-4-3-5-21(31)24(36)30-20(26(38)39)13-41-40-12-19(23(35)27-14)29-22(34)18(28-15(2)32)11-16-6-8-17(33)9-7-16/h6-9,14,18-21,33H,3-5,10-13H2,1-2H3,(H,27,35)(H,28,32)(H,29,34)(H,30,36)(H,38,39)/t14-,18-,19-,20-,21-/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
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of fluorescently labeled alpha4-beta1 positive Ramos cells binding to immobilized VCAM-1.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060181 ((1S,4R,9R,12S)-9-[(S)-2-Amino-3-(4-hydroxy-phenyl)...) Show SMILES C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CC3CCCCC3N2C1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C27H37N5O7S2/c1-14-26(37)32-21-5-3-2-4-16(21)11-22(32)25(36)31-20(27(38)39)13-41-40-12-19(24(35)29-14)30-23(34)18(28)10-15-6-8-17(33)9-7-15/h6-9,14,16,18-22,33H,2-5,10-13,28H2,1H3,(H,29,35)(H,30,34)(H,31,36)(H,38,39)/t14-,16?,18-,19-,20-,21?,22-/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
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060175 ((4R,7S,10S,13R)-13-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CC[C@@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C24H35N5O7S2/c1-4-12(2)19-23(34)28-18(24(35)36)11-38-37-10-17(22(33)26-13(3)20(31)29-19)27-21(32)16(25)9-14-5-7-15(30)8-6-14/h5-8,12-13,16-19,30H,4,9-11,25H2,1-3H3,(H,26,33)(H,27,32)(H,28,34)(H,29,31)(H,35,36)/t12-,13+,16+,17+,18+,19+/m1/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	23	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060213 ((3R,8R)-3-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propio...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)C2CCN(CC2)C1=O)C(O)=O |wU:13.13,18.32,1.0,(9.66,-13.97,;10.98,-13.2,;10.98,-11.66,;12.06,-10.57,;11.65,-9.09,;12.72,-8,;14.19,-8.38,;15.28,-7.28,;14.61,-9.86,;13.54,-10.95,;12.32,-13.97,;12.32,-15.51,;13.65,-13.2,;14.99,-13.97,;16.2,-12.94,;17.55,-13.71,;19.47,-13.71,;20.63,-12.75,;22.02,-13.97,;21.95,-15.51,;20.73,-17.05,;21.01,-18.56,;19.39,-16.28,;18.62,-17.61,;17.08,-17.59,;16.31,-16.28,;17.1,-14.93,;18.62,-14.95,;14.99,-15.51,;13.65,-16.28,;23.4,-13.26,;24.68,-14.12,;23.49,-11.72,)| Show InChI InChI=1S/C21H28N4O6S2/c22-15(9-12-1-3-14(26)4-2-12)19(28)23-16-10-32-33-11-17(21(30)31)24-18(27)13-5-7-25(8-6-13)20(16)29/h1-4,13,15-17,26H,5-11,22H2,(H,23,28)(H,24,27)(H,30,31)/t15-,16-,17-/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	31	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060227 ((4R,7S,10S,13R)-13-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C24H35N5O7S2/c1-12(2)8-17-22(33)29-19(24(35)36)11-38-37-10-18(23(34)26-13(3)20(31)27-17)28-21(32)16(25)9-14-4-6-15(30)7-5-14/h4-7,12-13,16-19,30H,8-11,25H2,1-3H3,(H,26,34)(H,27,31)(H,28,32)(H,29,33)(H,35,36)/t13-,16-,17-,18-,19-/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	34	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060236 ((4R,12R)-12-[(S)-2-Amino-3-(4-hydroxy-phenyl)-prop...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)CCCNC1=O)C(O)=O Show InChI InChI=1S/C19H26N4O6S2/c20-13(8-11-3-5-12(24)6-4-11)17(26)23-14-9-30-31-10-15(19(28)29)22-16(25)2-1-7-21-18(14)27/h3-6,13-15,24H,1-2,7-10,20H2,(H,21,27)(H,22,25)(H,23,26)(H,28,29)/t13-,14-,15-/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	38	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060211 (8-(2-{2-[2-(2-Amino-3-phenyl-propionylamino)-3-mer...) Show SMILES C[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC1=O)C(O)=O Show InChI InChI=1S/C36H53N11O11S3/c1-18(41-31(53)23(15-59)44-29(51)20(37)13-19-7-3-2-4-8-19)28(50)42-21(9-5-11-40-36(38)39)30(52)45-24-16-60-61-17-25(35(57)58)46-33(55)26-10-6-12-47(26)34(56)22(14-27(48)49)43-32(24)54/h2-4,7-8,18,20-26,59H,5-6,9-17,37H2,1H3,(H,41,53)(H,42,50)(H,43,54)(H,44,51)(H,45,52)(H,46,55)(H,48,49)(H,57,58)(H4,38,39,40)/t18-,20-,21-,22-,23-,24-,25-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060239 ((5S,8R,13R,15aS)-8-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES [H][C@@]12C[C@H](CN1C(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](NC2=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1)Oc1ccccc1 Show InChI InChI=1S/C29H35N5O8S2/c1-16-28(39)34-13-20(42-19-5-3-2-4-6-19)12-24(34)27(38)33-23(29(40)41)15-44-43-14-22(26(37)31-16)32-25(36)21(30)11-17-7-9-18(35)10-8-17/h2-10,16,20-24,35H,11-15,30H2,1H3,(H,31,37)(H,32,36)(H,33,38)(H,40,41)/t16-,20+,21-,22-,23-,24-/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	40	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060197 ((5S,8R,13R,15aS)-8-{(S)-2-[(S)-2-Amino-3-(4-hydrox...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC1=O)C(O)=O Show InChI InChI=1S/C30H44N10O9S2/c31-17(11-15-5-7-16(41)8-6-15)24(43)36-18(3-1-9-35-30(33)34)25(44)38-20-13-50-51-14-21(29(48)49)39-27(46)22-4-2-10-40(22)28(47)19(12-23(32)42)37-26(20)45/h5-8,17-22,41H,1-4,9-14,31H2,(H2,32,42)(H,36,43)(H,37,45)(H,38,44)(H,39,46)(H,48,49)(H4,33,34,35)/t17-,18-,19-,20-,21-,22-/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	40	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060172 ((4R,11R)-11-[(S)-2-Amino-3-(4-hydroxy-phenyl)-prop...) Show SMILES CC1CNC(=O)[C@H](CSSC[C@H](NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C19H26N4O6S2/c1-10-7-21-18(27)14(8-30-31-9-15(19(28)29)23-16(10)25)22-17(26)13(20)6-11-2-4-12(24)5-3-11/h2-5,10,13-15,24H,6-9,20H2,1H3,(H,21,27)(H,22,26)(H,23,25)(H,28,29)/t10?,13-,14-,15-/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	47	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060209 ((5S,8R,13R,15aS)-8-{(S)-2-[(S)-2-Amino-3-(4-hydrox...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(N)=O)NC1=O)C(O)=O Show InChI InChI=1S/C31H46N10O9S2/c32-18(13-16-5-7-17(42)8-6-16)25(44)37-19(3-1-11-36-31(34)35)26(45)39-21-14-51-52-15-22(30(49)50)40-28(47)23-4-2-12-41(23)29(48)20(38-27(21)46)9-10-24(33)43/h5-8,18-23,42H,1-4,9-15,32H2,(H2,33,43)(H,37,44)(H,38,46)(H,39,45)(H,40,47)(H,49,50)(H4,34,35,36)/t18-,19-,20-,21-,22-,23-/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	50	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060222 ((5S,8R,13R,15aS)-5-Hydroxymethyl-8-[(naphthalene-2...) Show SMILES OC[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)NC(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H28N4O7S2/c30-11-17-24(34)29-9-3-6-20(29)23(33)28-19(25(35)36)13-38-37-12-18(22(32)26-17)27-21(31)16-8-7-14-4-1-2-5-15(14)10-16/h1-2,4-5,7-8,10,17-20,30H,3,6,9,11-13H2,(H,26,32)(H,27,31)(H,28,33)(H,35,36)/t17-,18-,19-,20-/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	54	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060205 ((5S,8R,13R,15aS)-8-{(S)-2-[(S)-2-Amino-3-(4-hydrox...) Show SMILES C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C29H43N9O8S2/c1-15-27(44)38-11-3-5-22(38)26(43)37-21(28(45)46)14-48-47-13-20(25(42)34-15)36-24(41)19(4-2-10-33-29(31)32)35-23(40)18(30)12-16-6-8-17(39)9-7-16/h6-9,15,18-22,39H,2-5,10-14,30H2,1H3,(H,34,42)(H,35,40)(H,36,41)(H,37,43)(H,45,46)(H4,31,32,33)/t15-,18-,19-,20-,21-,22-/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	60	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060220 ((4R,7S,10S,13R)-13-[(S)-2-Acetylamino-3-(4-hydroxy...) Show SMILES C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)c1ccccc1)C(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O Show InChI InChI=1S/C28H33N5O8S2/c1-15-24(36)33-23(18-6-4-3-5-7-18)27(39)32-22(28(40)41)14-43-42-13-21(26(38)29-15)31-25(37)20(30-16(2)34)12-17-8-10-19(35)11-9-17/h3-11,15,20-23,35H,12-14H2,1-2H3,(H,29,38)(H,30,34)(H,31,37)(H,32,39)(H,33,36)(H,40,41)/t15-,20-,21-,22-,23-/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	76	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060238 ((5S,8R,13R,15aS)-8-{(S)-2-[(S)-2-Amino-3-(4-hydrox...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(O)=O)NC1=O)C(O)=O Show InChI InChI=1S/C31H45N9O10S2/c32-18(13-16-5-7-17(41)8-6-16)25(44)36-19(3-1-11-35-31(33)34)26(45)38-21-14-51-52-15-22(30(49)50)39-28(47)23-4-2-12-40(23)29(48)20(37-27(21)46)9-10-24(42)43/h5-8,18-23,41H,1-4,9-15,32H2,(H,36,44)(H,37,46)(H,38,45)(H,39,47)(H,42,43)(H,49,50)(H4,33,34,35)/t18-,19-,20-,21-,22-,23-/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
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060217 ((5S,8R,13R,15aS)-5-Hydroxymethyl-8-[(naphthalene-1...) Show SMILES OC[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)NC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C25H28N4O7S2/c30-11-17-24(34)29-10-4-9-20(29)23(33)28-19(25(35)36)13-38-37-12-18(22(32)26-17)27-21(31)16-8-3-6-14-5-1-2-7-15(14)16/h1-3,5-8,17-20,30H,4,9-13H2,(H,26,32)(H,27,31)(H,28,33)(H,35,36)/t17-,18-,19-,20-/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	97	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060207 ((6S,9R,14R,16aS)-9-{[(2S,3S)-1-Acetyl-3-(4-hydroxy...) Show SMILES C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCCN2C1=O)C(O)=O)NC(=O)[C@@H]1[C@@H](CCN1C(C)=O)c1ccc(O)cc1 Show InChI InChI=1S/C28H37N5O8S2/c1-15-27(39)33-11-4-3-5-22(33)25(37)31-21(28(40)41)14-43-42-13-20(24(36)29-15)30-26(38)23-19(10-12-32(23)16(2)34)17-6-8-18(35)9-7-17/h6-9,15,19-23,35H,3-5,10-14H2,1-2H3,(H,29,36)(H,30,38)(H,31,37)(H,40,41)/t15-,19-,20-,21-,22-,23-/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
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060171 ((4R,9R)-9-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propio...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)C2CCC(CC2)CNC1=O)C(O)=O |wU:13.13,18.34,1.0,(4.1,-3.94,;5.44,-3.17,;5.44,-1.63,;4.1,-.86,;2.79,-1.63,;1.44,-.87,;1.44,.68,;.13,1.45,;2.79,1.45,;4.1,.68,;6.77,-3.94,;6.77,-5.48,;8.12,-3.17,;9.45,-3.94,;10.77,-3.17,;12.12,-3.94,;13.82,-3.79,;15.2,-3.1,;16.48,-3.94,;16.39,-5.48,;16.39,-7.43,;17.68,-8.45,;14.82,-8.2,;14.05,-6.88,;12.51,-6.87,;11.72,-8.2,;12.48,-9.53,;14.05,-9.53,;9.84,-8.2,;9.87,-6.65,;10.32,-5.12,;11.67,-5.12,;17.84,-3.25,;19.15,-4.1,;17.93,-1.7,)| Show InChI InChI=1S/C23H32N4O6S2/c24-17(9-13-3-7-16(28)8-4-13)21(30)26-18-11-34-35-12-19(23(32)33)27-20(29)15-5-1-14(2-6-15)10-25-22(18)31/h3-4,7-8,14-15,17-19,28H,1-2,5-6,9-12,24H2,(H,25,31)(H,26,30)(H,27,29)(H,32,33)/t14?,15?,17-,18-,19-/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
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060225 ((5S,8R,13R,15aS)-8-{(S)-2-[(S)-2-Amino-3-(4-hydrox...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC1=O)C(O)=O Show InChI InChI=1S/C30H43N9O10S2/c31-17(11-15-5-7-16(40)8-6-15)24(43)35-18(3-1-9-34-30(32)33)25(44)37-20-13-50-51-14-21(29(48)49)38-27(46)22-4-2-10-39(22)28(47)19(12-23(41)42)36-26(20)45/h5-8,17-22,40H,1-4,9-14,31H2,(H,35,43)(H,36,45)(H,37,44)(H,38,46)(H,41,42)(H,48,49)(H4,32,33,34)/t17-,18-,19-,20-,21-,22-/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	110	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060226 ((5S,8R,13R,15aS)-8-[(S)-2-Acetylamino-3-(4-hydroxy...) Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC1=O)C(O)=O Show InChI InChI=1S/C25H33N5O9S2/c1-13(32)26-16(9-14-4-6-15(33)7-5-14)21(34)28-18-11-40-41-12-19(25(38)39)29-23(36)20-3-2-8-30(20)24(37)17(10-31)27-22(18)35/h4-7,16-20,31,33H,2-3,8-12H2,1H3,(H,26,32)(H,27,35)(H,28,34)(H,29,36)(H,38,39)/t16-,17-,18-,19-,20-/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	120	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of fluorescently labeled alpha4-beta1 positive Ramos cells binding to immobilized VCAM-1.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060203 ((5S,8R,13R,15aS)-8-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C23H31N5O7S2/c1-12-22(33)28-8-2-3-18(28)21(32)27-17(23(34)35)11-37-36-10-16(20(31)25-12)26-19(30)15(24)9-13-4-6-14(29)7-5-13/h4-7,12,15-18,29H,2-3,8-11,24H2,1H3,(H,25,31)(H,26,30)(H,27,32)(H,34,35)/t12-,15-,16-,17-,18-/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	120	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of fluorescently labeled alpha4-beta1 positive Ramos cells binding to immobilized VCAM-1.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060194 ((5S,8R,13R,15aS)-5-Carboxymethyl-8-[(S)-2-(9H-fluo...) Show SMILES NC(=N)NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC1=O)C(O)=O Show InChI InChI=1S/C36H44N8O10S2/c37-35(38)39-13-5-11-24(43-36(53)54-16-23-21-9-3-1-7-19(21)20-8-2-4-10-22(20)23)30(47)41-26-17-55-56-18-27(34(51)52)42-32(49)28-12-6-14-44(28)33(50)25(15-29(45)46)40-31(26)48/h1-4,7-10,23-28H,5-6,11-18H2,(H,40,48)(H,41,47)(H,42,49)(H,43,53)(H,45,46)(H,51,52)(H4,37,38,39)/t24-,25-,26-,27-,28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060235 ((5S,8R,13R,15aS)-8-Benzoylamino-5-hydroxymethyl-4,...) Show SMILES OC[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)NC(=O)c1ccccc1 Show InChI InChI=1S/C21H26N4O7S2/c26-9-13-20(30)25-8-4-7-16(25)19(29)24-15(21(31)32)11-34-33-10-14(18(28)22-13)23-17(27)12-5-2-1-3-6-12/h1-3,5-6,13-16,26H,4,7-11H2,(H,22,28)(H,23,27)(H,24,29)(H,31,32)/t13-,14-,15-,16-/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	134	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060215 ((5S,8R,13R,15aS)-8-[(9H-Fluorene-1-carbonyl)-amino...) Show SMILES OC[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)NC(=O)c1cccc-2c1Cc1ccccc-21 Show InChI InChI=1S/C28H30N4O7S2/c33-12-20-27(37)32-10-4-9-23(32)26(36)31-22(28(38)39)14-41-40-13-21(25(35)29-20)30-24(34)18-8-3-7-17-16-6-2-1-5-15(16)11-19(17)18/h1-3,5-8,20-23,33H,4,9-14H2,(H,29,35)(H,30,34)(H,31,36)(H,38,39)/t20-,21-,22-,23-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060231 ((4R,7S,10S,13R)-13-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC2CCCCC2)NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C27H39N5O7S2/c1-15-23(34)30-20(12-16-5-3-2-4-6-16)25(36)32-22(27(38)39)14-41-40-13-21(26(37)29-15)31-24(35)19(28)11-17-7-9-18(33)10-8-17/h7-10,15-16,19-22,33H,2-6,11-14,28H2,1H3,(H,29,37)(H,30,34)(H,31,35)(H,32,36)(H,38,39)/t15-,19-,20-,21-,22-/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	140	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060167 ((5S,8R,13R,15aS)-8-{(S)-6-Amino-2-[(S)-2-amino-3-(...) Show SMILES NCCCC[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC1=O)C(O)=O Show InChI InChI=1S/C30H43N7O10S2/c31-10-2-1-4-19(33-25(41)18(32)12-16-6-8-17(38)9-7-16)26(42)35-21-14-48-49-15-22(30(46)47)36-28(44)23-5-3-11-37(23)29(45)20(13-24(39)40)34-27(21)43/h6-9,18-23,38H,1-5,10-15,31-32H2,(H,33,41)(H,34,43)(H,35,42)(H,36,44)(H,39,40)(H,46,47)/t18-,19-,20-,21-,22-,23-/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	150	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060206 ((4R,9R)-4-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propio...) Show SMILES N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)c2ccc(NC1=O)cc2)C(O)=O Show InChI InChI=1S/C22H24N4O6S2/c23-16(9-12-1-7-15(27)8-2-12)20(29)25-17-10-33-34-11-18(22(31)32)26-19(28)13-3-5-14(6-4-13)24-21(17)30/h1-8,16-18,27H,9-11,23H2,(H,24,30)(H,25,29)(H,26,28)(H,31,32)/t16-,17-,18-/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	160	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060179 ((5S,8R,13R,15aS)-8-[(S)-2-Amino-3-(4-hydroxy-3-iod...) Show SMILES N[C@@H](Cc1ccc(O)c(I)c1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CO)NC1=O)C(O)=O Show InChI InChI=1S/C23H30IN5O8S2/c24-12-6-11(3-4-18(12)31)7-13(25)19(32)27-15-9-38-39-10-16(23(36)37)28-21(34)17-2-1-5-29(17)22(35)14(8-30)26-20(15)33/h3-4,6,13-17,30-31H,1-2,5,7-10,25H2,(H,26,33)(H,27,32)(H,28,34)(H,36,37)/t13-,14-,15-,16-,17-/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	200	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of fluorescently labeled alpha4-beta1 positive Ramos cells binding to immobilized VCAM-1.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060199 ((5S,8R,13R,15aS)-8-{(S)-2-[(S)-2-Amino-3-(4-hydrox...) Show SMILES C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(O)=O)NC1=O)C(O)=O Show InChI InChI=1S/C27H36N6O10S2/c1-13(29-23(38)16(28)9-14-4-6-15(34)7-5-14)22(37)31-18-11-44-45-12-19(27(42)43)32-25(40)20-3-2-8-33(20)26(41)17(10-21(35)36)30-24(18)39/h4-7,13,16-20,34H,2-3,8-12,28H2,1H3,(H,29,38)(H,30,39)(H,31,37)(H,32,40)(H,35,36)(H,42,43)/t13-,16-,17-,18-,19-,20-/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	210	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060192 ((5R,10R,13S,15aS)-5-[(S)-2-Amino-3-(4-hydroxy-phen...) Show SMILES C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CSSC[C@H](NC1=O)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C23H31N5O7S2/c1-12-19(30)27-17(23(34)35)11-37-36-10-16(22(33)28-8-2-3-18(28)21(32)25-12)26-20(31)15(24)9-13-4-6-14(29)7-5-13/h4-7,12,15-18,29H,2-3,8-11,24H2,1H3,(H,25,32)(H,26,31)(H,27,30)(H,34,35)/t12-,15-,16-,17-,18-/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	230	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060170 ((4R,7S,10S,13R)-13-[(S)-2-Amino-3-(4-hydroxy-pheny...) Show SMILES C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)C1CCCCC1)C(O)=O)NC(=O)[C@@H](N)Cc1ccc(O)cc1 Show InChI InChI=1S/C26H37N5O7S2/c1-14-22(33)31-21(16-5-3-2-4-6-16)25(36)30-20(26(37)38)13-40-39-12-19(24(35)28-14)29-23(34)18(27)11-15-7-9-17(32)10-8-15/h7-10,14,16,18-21,32H,2-6,11-13,27H2,1H3,(H,28,35)(H,29,34)(H,30,36)(H,31,33)(H,37,38)/t14-,18-,19-,20-,21-/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	230	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060183 ((5S,8R,13R,15aS)-8-[(S)-2-Acetylamino-3-(4-hydroxy...) Show SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(O)=O Show InChI InChI=1S/C31H37N5O9S2/c1-17(37)32-22(13-18-4-8-20(38)9-5-18)27(40)34-24-15-46-47-16-25(31(44)45)35-29(42)26-3-2-12-36(26)30(43)23(33-28(24)41)14-19-6-10-21(39)11-7-19/h4-11,22-26,38-39H,2-3,12-16H2,1H3,(H,32,37)(H,33,41)(H,34,40)(H,35,42)(H,44,45)/t22-,23-,24-,25-,26-/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	230	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of fluorescently labeled alpha4-beta1 positive Ramos cells binding to immobilized VCAM-1.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair
Integrin alpha-4/beta-1 (Homo sapiens (Human))	BDBM50060210 ((5S,8R,13R,15aS)-5-Hydroxymethyl-8-[2-(4-methoxy-p...) Show SMILES COc1ccc(CC(=O)N[C@H]2CSSC[C@H](NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)NC2=O)C(O)=O)cc1 Show InChI InChI=1S/C23H30N4O8S2/c1-35-14-6-4-13(5-7-14)9-19(29)24-16-11-36-37-12-17(23(33)34)26-21(31)18-3-2-8-27(18)22(32)15(10-28)25-20(16)30/h4-7,15-18,28H,2-3,8-12H2,1H3,(H,24,29)(H,25,30)(H,26,31)(H,33,34)/t15-,16-,17-,18-/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	250	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Inc. Curated by ChEMBL					Assay Description Inhibition of purified alpha-4 beta-1 binding to VCAM-1 was determined in an ELISA assay.				J Med Chem 40: 3359-68 (1997) Article DOI: 10.1021/jm970175s BindingDB Entry DOI: 10.7270/Q298889J
					More data for this Ligand-Target Pair

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