Compile Data Set for Download or QSAR

Found 179 hits with Last Name = 'burnier' and Initial = 'j'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
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-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50333919 ((S)-2-(2-(benzofuran-6-carbonyl)-5,7-dichloro-1,2,...) Show SMILES CS(=O)(=O)c1ccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)o1 |r| Show InChI InChI=1S/C27H22Cl2N2O8S/c1-40(36,37)22-5-4-17(39-22)12-20(27(34)35)30-25(32)23-19(28)10-16-13-31(8-6-18(16)24(23)29)26(33)15-3-2-14-7-9-38-21(14)11-15/h2-5,7,9-11,20H,6,8,12-13H2,1H3,(H,30,32)(H,34,35)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...				ACS Med Chem Lett 3: 203-206 (2012) Article DOI: 10.1021/ml2002482 BindingDB Entry DOI: 10.7270/Q2BV7HP5
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50386338 (CHEMBL2048036) Show SMILES CCS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1 |r| Show InChI InChI=1S/C30H26Cl2N2O7S/c1-2-42(39,40)21-5-3-4-17(12-21)13-24(30(37)38)33-28(35)26-23(31)14-20-16-34(10-8-22(20)27(26)32)29(36)19-7-6-18-9-11-41-25(18)15-19/h3-7,9,11-12,14-15,24H,2,8,10,13,16H2,1H3,(H,33,35)(H,37,38)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia 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
TBA Curated by ChEMBL					Assay Description Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...				ACS Med Chem Lett 3: 203-206 (2012) Article DOI: 10.1021/ml2002482 BindingDB Entry DOI: 10.7270/Q2BV7HP5
					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
Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50386331 (CHEMBL2048028) Show SMILES CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1 |r| Show InChI InChI=1S/C29H24Cl2N2O7S/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37)/t23-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.98	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human recombinant ICAM-1 adhesion into human Jurkat cells after 1 hr				ACS Med Chem Lett 3: 203-206 (2012) Article DOI: 10.1021/ml2002482 BindingDB Entry DOI: 10.7270/Q2BV7HP5
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50386328 (CHEMBL2048025) Show SMILES CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc(Cl)cc2)C(O)=O)c1 |r| Show InChI InChI=1S/C27H23Cl3N2O6S/c1-39(37,38)19-4-2-3-15(11-19)12-22(27(35)36)31-25(33)23-21(29)13-17-14-32(10-9-20(17)24(23)30)26(34)16-5-7-18(28)8-6-16/h2-8,11,13,22H,9-10,12,14H2,1H3,(H,31,33)(H,35,36)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia 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
TBA Curated by ChEMBL					Assay Description Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...				ACS Med Chem Lett 3: 203-206 (2012) Article DOI: 10.1021/ml2002482 BindingDB Entry DOI: 10.7270/Q2BV7HP5
					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))	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))	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-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50386325 (CHEMBL2048402) Show SMILES NS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1 |r| Show InChI InChI=1S/C28H23Cl2N3O7S/c29-21-12-18-14-33(27(35)17-5-4-16-7-9-40-23(16)13-17)8-6-20(18)25(30)24(21)26(34)32-22(28(36)37)11-15-2-1-3-19(10-15)41(31,38)39/h1-5,7,9-10,12-13,22H,6,8,11,14H2,(H,32,34)(H,36,37)(H2,31,38,39)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia 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
TBA Curated by ChEMBL					Assay Description Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...				ACS Med Chem Lett 3: 203-206 (2012) Article DOI: 10.1021/ml2002482 BindingDB Entry DOI: 10.7270/Q2BV7HP5
					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))	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))	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))	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))	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))	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-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50386326 (CHEMBL2048024) Show SMILES CS(=O)(=O)c1ccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc(Cl)cc2)C(O)=O)o1 |r| Show InChI InChI=1S/C25H21Cl3N2O7S/c1-38(35,36)20-7-6-16(37-20)11-19(25(33)34)29-23(31)21-18(27)10-14-12-30(9-8-17(14)22(21)28)24(32)13-2-4-15(26)5-3-13/h2-7,10,19H,8-9,11-12H2,1H3,(H,29,31)(H,33,34)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...				ACS Med Chem Lett 3: 203-206 (2012) Article DOI: 10.1021/ml2002482 BindingDB Entry DOI: 10.7270/Q2BV7HP5
					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-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50386331 (CHEMBL2048028) Show SMILES CS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1 |r| Show InChI InChI=1S/C29H24Cl2N2O7S/c1-41(38,39)20-4-2-3-16(11-20)12-23(29(36)37)32-27(34)25-22(30)13-19-15-33(9-7-21(19)26(25)31)28(35)18-6-5-17-8-10-40-24(17)14-18/h2-6,8,10-11,13-14,23H,7,9,12,15H2,1H3,(H,32,34)(H,36,37)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...				ACS Med Chem Lett 3: 203-206 (2012) Article DOI: 10.1021/ml2002482 BindingDB Entry DOI: 10.7270/Q2BV7HP5
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50386334 (CHEMBL2048031) Show SMILES CS(=O)(=O)c1cc(Cl)cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1 |r| Show InChI InChI=1S/C29H23Cl3N2O7S/c1-42(39,40)20-9-15(8-19(30)13-20)10-23(29(37)38)33-27(35)25-22(31)11-18-14-34(6-4-21(18)26(25)32)28(36)17-3-2-16-5-7-41-24(16)12-17/h2-3,5,7-9,11-13,23H,4,6,10,14H2,1H3,(H,33,35)(H,37,38)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia 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
TBA Curated by ChEMBL					Assay Description Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...				ACS Med Chem Lett 3: 203-206 (2012) Article DOI: 10.1021/ml2002482 BindingDB Entry DOI: 10.7270/Q2BV7HP5
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50386324 (CHEMBL2048033) Show SMILES CS(=O)(=O)c1cc(F)cc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1 |r| Show InChI InChI=1S/C29H23Cl2FN2O7S/c1-42(39,40)20-9-15(8-19(32)13-20)10-23(29(37)38)33-27(35)25-22(30)11-18-14-34(6-4-21(18)26(25)31)28(36)17-3-2-16-5-7-41-24(16)12-17/h2-3,5,7-9,11-13,23H,4,6,10,14H2,1H3,(H,33,35)(H,37,38)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia 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
TBA Curated by ChEMBL					Assay Description Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...				ACS Med Chem Lett 3: 203-206 (2012) Article DOI: 10.1021/ml2002482 BindingDB Entry DOI: 10.7270/Q2BV7HP5
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50386327 (CHEMBL2048023) Show SMILES CC(C)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc(Cl)cc2)C(O)=O)c1 |r| Show InChI InChI=1S/C29H27Cl3N2O4/c1-16(2)19-5-3-4-17(12-19)13-24(29(37)38)33-27(35)25-23(31)14-20-15-34(11-10-22(20)26(25)32)28(36)18-6-8-21(30)9-7-18/h3-9,12,14,16,24H,10-11,13,15H2,1-2H3,(H,33,35)(H,37,38)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia 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
TBA Curated by ChEMBL					Assay Description Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...				ACS Med Chem Lett 3: 203-206 (2012) Article DOI: 10.1021/ml2002482 BindingDB Entry DOI: 10.7270/Q2BV7HP5
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50386344 (CHEMBL2048407) Show SMILES C[C@@H](O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1 |r| Show InChI InChI=1S/C30H26Cl2N2O6/c1-16(35)19-4-2-3-17(11-19)12-24(30(38)39)33-28(36)26-23(31)13-21-15-34(9-7-22(21)27(26)32)29(37)20-6-5-18-8-10-40-25(18)14-20/h2-6,8,10-11,13-14,16,24,35H,7,9,12,15H2,1H3,(H,33,36)(H,38,39)/t16-,24+/m1/s1	PDB UniProtKB/SwissProt antibodypedia 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
TBA Curated by ChEMBL					Assay Description Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...				ACS Med Chem Lett 3: 203-206 (2012) Article DOI: 10.1021/ml2002482 BindingDB Entry DOI: 10.7270/Q2BV7HP5
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50386341 (CHEMBL2048404) Show SMILES CN(C)S(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1 |r| Show InChI InChI=1S/C30H27Cl2N3O7S/c1-34(2)43(40,41)21-5-3-4-17(12-21)13-24(30(38)39)33-28(36)26-23(31)14-20-16-35(10-8-22(20)27(26)32)29(37)19-7-6-18-9-11-42-25(18)15-19/h3-7,9,11-12,14-15,24H,8,10,13,16H2,1-2H3,(H,33,36)(H,38,39)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia 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
TBA Curated by ChEMBL					Assay Description Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...				ACS Med Chem Lett 3: 203-206 (2012) Article DOI: 10.1021/ml2002482 BindingDB Entry DOI: 10.7270/Q2BV7HP5
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50386343 (CHEMBL2048406) Show SMILES CC(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1 |r| Show InChI InChI=1S/C30H24Cl2N2O6/c1-16(35)19-4-2-3-17(11-19)12-24(30(38)39)33-28(36)26-23(31)13-21-15-34(9-7-22(21)27(26)32)29(37)20-6-5-18-8-10-40-25(18)14-20/h2-6,8,10-11,13-14,24H,7,9,12,15H2,1H3,(H,33,36)(H,38,39)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...				ACS Med Chem Lett 3: 203-206 (2012) Article DOI: 10.1021/ml2002482 BindingDB Entry DOI: 10.7270/Q2BV7HP5
					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-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50386340 (CHEMBL2048403) Show SMILES CNS(=O)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1 |r| Show InChI InChI=1S/C29H25Cl2N3O7S/c1-32-42(39,40)20-4-2-3-16(11-20)12-23(29(37)38)33-27(35)25-22(30)13-19-15-34(9-7-21(19)26(25)31)28(36)18-6-5-17-8-10-41-24(17)14-18/h2-6,8,10-11,13-14,23,32H,7,9,12,15H2,1H3,(H,33,35)(H,37,38)/t23-/m0/s1	PDB UniProtKB/SwissProt antibodypedia 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
TBA Curated by ChEMBL					Assay Description Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...				ACS Med Chem Lett 3: 203-206 (2012) Article DOI: 10.1021/ml2002482 BindingDB Entry DOI: 10.7270/Q2BV7HP5
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50386345 (CHEMBL2048408) Show SMILES C[C@H](O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1 |r| Show InChI InChI=1S/C30H26Cl2N2O6/c1-16(35)19-4-2-3-17(11-19)12-24(30(38)39)33-28(36)26-23(31)13-21-15-34(9-7-22(21)27(26)32)29(37)20-6-5-18-8-10-40-25(18)14-20/h2-6,8,10-11,13-14,16,24,35H,7,9,12,15H2,1H3,(H,33,36)(H,38,39)/t16-,24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...				ACS Med Chem Lett 3: 203-206 (2012) Article DOI: 10.1021/ml2002482 BindingDB Entry DOI: 10.7270/Q2BV7HP5
					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))	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))	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-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50386336 (CHEMBL2048034) Show SMILES CS(=O)(=O)c1cncc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1 |r| Show InChI InChI=1S/C28H23Cl2N3O7S/c1-41(38,39)19-8-15(12-31-13-19)9-22(28(36)37)32-26(34)24-21(29)10-18-14-33(6-4-20(18)25(24)30)27(35)17-3-2-16-5-7-40-23(16)11-17/h2-3,5,7-8,10-13,22H,4,6,9,14H2,1H3,(H,32,34)(H,36,37)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia 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
TBA Curated by ChEMBL					Assay Description Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...				ACS Med Chem Lett 3: 203-206 (2012) Article DOI: 10.1021/ml2002482 BindingDB Entry DOI: 10.7270/Q2BV7HP5
					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-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50386336 (CHEMBL2048034) Show SMILES CS(=O)(=O)c1cncc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1 |r| Show InChI InChI=1S/C28H23Cl2N3O7S/c1-41(38,39)19-8-15(12-31-13-19)9-22(28(36)37)32-26(34)24-21(29)10-18-14-33(6-4-20(18)25(24)30)27(35)17-3-2-16-5-7-40-23(16)11-17/h2-3,5,7-8,10-13,22H,4,6,9,14H2,1H3,(H,32,34)(H,36,37)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...				ACS Med Chem Lett 3: 203-206 (2012) Article DOI: 10.1021/ml2002482 BindingDB Entry DOI: 10.7270/Q2BV7HP5
					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))	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))	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))	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-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50386337 (CHEMBL2048035) Show SMILES CS(=O)c1cncc(CC(NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1 Show InChI InChI=1S/C28H23Cl2N3O6S/c1-40(38)19-8-15(12-31-13-19)9-22(28(36)37)32-26(34)24-21(29)10-18-14-33(6-4-20(18)25(24)30)27(35)17-3-2-16-5-7-39-23(16)11-17/h2-3,5,7-8,10-13,22H,4,6,9,14H2,1H3,(H,32,34)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia 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
TBA Curated by ChEMBL					Assay Description Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...				ACS Med Chem Lett 3: 203-206 (2012) Article DOI: 10.1021/ml2002482 BindingDB Entry DOI: 10.7270/Q2BV7HP5
					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-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50386337 (CHEMBL2048035) Show SMILES CS(=O)c1cncc(CC(NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1 Show InChI InChI=1S/C28H23Cl2N3O6S/c1-40(38)19-8-15(12-31-13-19)9-22(28(36)37)32-26(34)24-21(29)10-18-14-33(6-4-20(18)25(24)30)27(35)17-3-2-16-5-7-39-23(16)11-17/h2-3,5,7-8,10-13,22H,4,6,9,14H2,1H3,(H,32,34)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...				ACS Med Chem Lett 3: 203-206 (2012) Article DOI: 10.1021/ml2002482 BindingDB Entry DOI: 10.7270/Q2BV7HP5
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50386342 (CHEMBL2048405) Show SMILES CP(C)(=O)c1cccc(C[C@H](NC(=O)c2c(Cl)cc3CN(CCc3c2Cl)C(=O)c2ccc3ccoc3c2)C(O)=O)c1 |r| Show InChI InChI=1S/C30H27Cl2N2O6P/c1-41(2,39)21-5-3-4-17(12-21)13-24(30(37)38)33-28(35)26-23(31)14-20-16-34(10-8-22(20)27(26)32)29(36)19-7-6-18-9-11-40-25(18)15-19/h3-7,9,11-12,14-15,24H,8,10,13,16H2,1-2H3,(H,33,35)(H,37,38)/t24-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Antagonist activity at LFA-1/ICAM-1 in human HuT-78 T-cells assessed as inhibition of cell adhesion after 1 hr by p-nitrophenyl n-acetyl-beta-D-gluco...				ACS Med Chem Lett 3: 203-206 (2012) Article DOI: 10.1021/ml2002482 BindingDB Entry DOI: 10.7270/Q2BV7HP5
					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

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