Compile Data Set for Download or QSAR

Found 646 hits with Last Name = 'kadiyala' and Initial = 'p'   

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-L (Homo sapiens (Human))	BDBM50318222 (4-((5S,9R)-7-(5-(1H-Tetrazol-5-yl)pyridin-2-yl)-3-...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1ccc(cn1)-c1nnn[nH]1)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C26H19Cl2N9O2/c1-35-25(39)37(20-9-18(27)8-19(28)10-20)24(38)26(35)14-36(13-21(26)16-4-2-15(11-29)3-5-16)22-7-6-17(12-30-22)23-31-33-34-32-23/h2-10,12,21H,13-14H2,1H3,(H,31,32,33,34)/t21-,26+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50318219 (2-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1nc2cccc(C(O)=O)c2s1)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C28H19Cl2N5O4S/c1-33-27(39)35(19-10-17(29)9-18(30)11-19)25(38)28(33)14-34(13-21(28)16-7-5-15(12-31)6-8-16)26-32-22-4-2-3-20(24(36)37)23(22)40-26/h2-11,21H,13-14H2,1H3,(H,36,37)/t21-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50318220 (6-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1ccc(cn1)C(O)=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C26H19Cl2N5O4/c1-31-25(37)33(20-9-18(27)8-19(28)10-20)24(36)26(31)14-32(22-7-6-17(12-30-22)23(34)35)13-21(26)16-4-2-15(11-29)3-5-16/h2-10,12,21H,13-14H2,1H3,(H,34,35)/t21-,26+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50199036 (4-[(5S,9R)-3-(3,5-dichloro-phenyl)-1-methyl-2,4-di...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)C(=O)c1ccc2ncccc2c1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C30H21Cl2N5O3/c1-35-29(40)37(24-13-22(31)12-23(32)14-24)28(39)30(35)17-36(16-25(30)19-6-4-18(15-33)5-7-19)27(38)21-8-9-26-20(11-21)3-2-10-34-26/h2-14,25H,16-17H2,1H3/t25-,30+/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
Cerep Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of T cell to HUVEC				J Med Chem 49: 6946-9 (2006) Article DOI: 10.1021/jm0610806 BindingDB Entry DOI: 10.7270/Q2SF2XC3
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50318228 (2-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1cc(ccn1)C(O)=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C26H19Cl2N5O4/c1-31-25(37)33(20-10-18(27)9-19(28)11-20)24(36)26(31)14-32(22-8-17(23(34)35)6-7-30-22)13-21(26)16-4-2-15(12-29)3-5-16/h2-11,21H,13-14H2,1H3,(H,34,35)/t21-,26+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50318231 (2-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1nc2cc(ccc2o1)C(O)=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C28H19Cl2N5O5/c1-33-27(39)35(20-10-18(29)9-19(30)11-20)25(38)28(33)14-34(13-21(28)16-4-2-15(12-31)3-5-16)26-32-22-8-17(24(36)37)6-7-23(22)40-26/h2-11,21H,13-14H2,1H3,(H,36,37)/t21-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50318227 (2-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1nc2ccc(cc2s1)C(O)=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C28H19Cl2N5O4S/c1-33-27(39)35(20-10-18(29)9-19(30)11-20)25(38)28(33)14-34(13-21(28)16-4-2-15(12-31)3-5-16)26-32-22-7-6-17(24(36)37)8-23(22)40-26/h2-11,21H,13-14H2,1H3,(H,36,37)/t21-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50318225 (2-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1nc2cccc(C(O)=O)c2o1)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C28H19Cl2N5O5/c1-33-27(39)35(19-10-17(29)9-18(30)11-19)25(38)28(33)14-34(13-21(28)16-7-5-15(12-31)6-8-16)26-32-22-4-2-3-20(24(36)37)23(22)40-26/h2-11,21H,13-14H2,1H3,(H,36,37)/t21-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50248410 ((5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy...) Show SMILES Cc1oc(nc1CCOc1cccc(Cc2nn(nc2CC(O)=O)-c2ccccc2)c1)-c1ccccc1 Show InChI InChI=1S/C29H26N4O4/c1-20-25(30-29(37-20)22-10-4-2-5-11-22)15-16-36-24-14-8-9-21(17-24)18-26-27(19-28(34)35)32-33(31-26)23-12-6-3-7-13-23/h2-14,17H,15-16,18-19H2,1H3,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 19: 1451-6 (2009) Article DOI: 10.1016/j.bmcl.2009.01.030 BindingDB Entry DOI: 10.7270/Q2MC8ZW8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-L (Homo sapiens (Human))	BDBM50318224 (2-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1ncc(s1)C(O)=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C24H17Cl2N5O4S/c1-29-23(35)31(17-7-15(25)6-16(26)8-17)21(34)24(29)12-30(22-28-10-19(36-22)20(32)33)11-18(24)14-4-2-13(9-27)3-5-14/h2-8,10,18H,11-12H2,1H3,(H,32,33)/t18-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50199031 (4-[(5S,9R)-3-(3,5-dichloro-phenyl)-1-methyl-2,4-di...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(Cc2ccc3ncccc3c2)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C30H23Cl2N5O2/c1-35-29(39)37(25-13-23(31)12-24(32)14-25)28(38)30(35)18-36(17-26(30)21-7-4-19(15-33)5-8-21)16-20-6-9-27-22(11-20)3-2-10-34-27/h2-14,26H,16-18H2,1H3/t26-,30+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Cerep Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of T cell to HUVEC				J Med Chem 49: 6946-9 (2006) Article DOI: 10.1021/jm0610806 BindingDB Entry DOI: 10.7270/Q2SF2XC3
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50318226 (2-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1nc2ccc(cc2o1)C(O)=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C28H19Cl2N5O5/c1-33-27(39)35(20-10-18(29)9-19(30)11-20)25(38)28(33)14-34(13-21(28)16-4-2-15(12-31)3-5-16)26-32-22-7-6-17(24(36)37)8-23(22)40-26/h2-11,21H,13-14H2,1H3,(H,36,37)/t21-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50248463 (2-(5-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)be...) Show SMILES Cc1oc(nc1CCOc1ccc(Cc2nn(nc2CC(O)=O)-c2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C29H26N4O4/c1-20-25(30-29(37-20)22-8-4-2-5-9-22)16-17-36-24-14-12-21(13-15-24)18-26-27(19-28(34)35)32-33(31-26)23-10-6-3-7-11-23/h2-15H,16-19H2,1H3,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 19: 1451-6 (2009) Article DOI: 10.1016/j.bmcl.2009.01.030 BindingDB Entry DOI: 10.7270/Q2MC8ZW8
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50318230 (6-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1cc(ncn1)C(O)=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C25H18Cl2N6O4/c1-31-24(37)33(18-7-16(26)6-17(27)8-18)23(36)25(31)12-32(21-9-20(22(34)35)29-13-30-21)11-19(25)15-4-2-14(10-28)3-5-15/h2-9,13,19H,11-12H2,1H3,(H,34,35)/t19-,25+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50199037 (4-[(5S,9R)-3-(3,5-dichloro-phenyl)-1-methyl-2,4-di...) Show SMILES CN1C(=O)N(C(=O)[C@]11CNCC1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C20H16Cl2N4O2/c1-25-19(28)26(16-7-14(21)6-15(22)8-16)18(27)20(25)11-24-10-17(20)13-4-2-12(9-23)3-5-13/h2-8,17,24H,10-11H2,1H3/t17?,20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Cerep Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of T cell to HUVEC				J Med Chem 49: 6946-9 (2006) Article DOI: 10.1021/jm0610806 BindingDB Entry DOI: 10.7270/Q2SF2XC3
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50318232 (2-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1ncc(cn1)C(O)=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C25H18Cl2N6O4/c1-31-24(37)33(19-7-17(26)6-18(27)8-19)22(36)25(31)13-32(23-29-10-16(11-30-23)21(34)35)12-20(25)15-4-2-14(9-28)3-5-15/h2-8,10-11,20H,12-13H2,1H3,(H,34,35)/t20-,25+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50318238 (4-((5S,9R)-3-(3,5-Dichlorophenyl)-1-methyl-2,4-dio...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1ccccn1)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C25H19Cl2N5O2/c1-30-24(34)32(20-11-18(26)10-19(27)12-20)23(33)25(30)15-31(22-4-2-3-9-29-22)14-21(25)17-7-5-16(13-28)6-8-17/h2-12,21H,14-15H2,1H3/t21-,25+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50318236 (6-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1ccc(cn1)C#N)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C26H18Cl2N6O2/c1-32-25(36)34(21-9-19(27)8-20(28)10-21)24(35)26(32)15-33(23-7-4-17(12-30)13-31-23)14-22(26)18-5-2-16(11-29)3-6-18/h2-10,13,22H,14-15H2,1H3/t22-,26+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50318221 (6-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1cc(C)c(cn1)C(O)=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C27H21Cl2N5O4/c1-15-7-23(31-12-21(15)24(35)36)33-13-22(17-5-3-16(11-30)4-6-17)27(14-33)25(37)34(26(38)32(27)2)20-9-18(28)8-19(29)10-20/h3-10,12,22H,13-14H2,1-2H3,(H,35,36)/t22-,27+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50318223 (5-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1ccc(nc1)C#N)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C26H18Cl2N6O2/c1-32-25(36)34(22-9-18(27)8-19(28)10-22)24(35)26(32)15-33(21-7-6-20(12-30)31-13-21)14-23(26)17-4-2-16(11-29)3-5-17/h2-10,13,23H,14-15H2,1H3/t23-,26+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50318233 (6-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1ccc(C(O)=O)c(C)n1)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C27H21Cl2N5O4/c1-15-21(24(35)36)7-8-23(31-15)33-13-22(17-5-3-16(12-30)4-6-17)27(14-33)25(37)34(26(38)32(27)2)20-10-18(28)9-19(29)11-20/h3-11,22H,13-14H2,1-2H3,(H,35,36)/t22-,27+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50199030 (4-[(5S,9R)-9-(4-cyano-phenyl)-3-(3,5-dichloro-phen...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)S(=O)(=O)c1ccc(cc1)C(O)=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C27H20Cl2N4O6S/c1-31-26(37)33(21-11-19(28)10-20(29)12-21)25(36)27(31)15-32(14-23(27)17-4-2-16(13-30)3-5-17)40(38,39)22-8-6-18(7-9-22)24(34)35/h2-12,23H,14-15H2,1H3,(H,34,35)/t23-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Cerep Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of T cell to HUVEC				J Med Chem 49: 6946-9 (2006) Article DOI: 10.1021/jm0610806 BindingDB Entry DOI: 10.7270/Q2SF2XC3
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50318235 (6-((5S,9R)-3-(3,5-Dichlorophenyl)-1-methyl-2,4-dio...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1ccc(nn1)C(O)=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C25H18Cl2N6O4/c1-31-24(37)33(18-9-16(26)8-17(27)10-18)23(36)25(31)13-32(21-7-6-20(22(34)35)29-30-21)12-19(25)15-4-2-14(11-28)3-5-15/h2-10,19H,12-13H2,1H3,(H,34,35)/t19-,25+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50199035 (4-[(5S,9R)-3-(3,5-dichloro-phenyl)-7-isobutyl-1-me...) Show SMILES CC(C)CN1C[C@@H](c2ccc(cc2)C#N)[C@@]2(C1)N(C)C(=O)N(C2=O)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C24H24Cl2N4O2/c1-15(2)12-29-13-21(17-6-4-16(11-27)5-7-17)24(14-29)22(31)30(23(32)28(24)3)20-9-18(25)8-19(26)10-20/h4-10,15,21H,12-14H2,1-3H3/t21-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Cerep Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of T cell to HUVEC				J Med Chem 49: 6946-9 (2006) Article DOI: 10.1021/jm0610806 BindingDB Entry DOI: 10.7270/Q2SF2XC3
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50199039 (4-[(5S,9R)-7-benzyl-3-(3,5-dichloro-phenyl)-1-meth...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(Cc2ccccc2)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C27H22Cl2N4O2/c1-31-26(35)33(23-12-21(28)11-22(29)13-23)25(34)27(31)17-32(15-19-5-3-2-4-6-19)16-24(27)20-9-7-18(14-30)8-10-20/h2-13,24H,15-17H2,1H3/t24-,27+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Cerep Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of T cell to HUVEC				J Med Chem 49: 6946-9 (2006) Article DOI: 10.1021/jm0610806 BindingDB Entry DOI: 10.7270/Q2SF2XC3
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50199033 (5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(Cc2cc(cs2)C(O)=O)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C26H20Cl2N4O4S/c1-30-25(36)32(20-8-18(27)7-19(28)9-20)24(35)26(30)14-31(11-21-6-17(13-37-21)23(33)34)12-22(26)16-4-2-15(10-29)3-5-16/h2-9,13,22H,11-12,14H2,1H3,(H,33,34)/t22-,26+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-L (Homo sapiens (Human))	BDBM50318229 (5-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1cnc(cn1)C(O)=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C25H18Cl2N6O4/c1-31-24(37)33(18-7-16(26)6-17(27)8-18)23(36)25(31)13-32(21-11-29-20(10-30-21)22(34)35)12-19(25)15-4-2-14(9-28)3-5-15/h2-8,10-11,19H,12-13H2,1H3,(H,34,35)/t19-,25+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50063315 (CHEMBL3398446) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nccc(n2)C(F)(F)F)c1)-c1ccccc1 |r| Show InChI InChI=1S/C29H27F3N4O4/c1-18-24(34-26(40-18)20-7-3-2-4-8-20)11-13-39-22-9-5-6-19(15-22)14-21-16-36(17-23(21)27(37)38)28-33-12-10-25(35-28)29(30,31)32/h2-10,12,15,21,23H,11,13-14,16-17H2,1H3,(H,37,38)/t21-,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50199033 (5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(Cc2cc(cs2)C(O)=O)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C26H20Cl2N4O4S/c1-30-25(36)32(20-8-18(27)7-19(28)9-20)24(35)26(30)14-31(11-21-6-17(13-37-21)23(33)34)12-22(26)16-4-2-15(10-29)3-5-16/h2-9,13,22H,11-12,14H2,1H3,(H,33,34)/t22-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Cerep Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of T cell to HUVEC				J Med Chem 49: 6946-9 (2006) Article DOI: 10.1021/jm0610806 BindingDB Entry DOI: 10.7270/Q2SF2XC3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50377302 (CHEMBL255930) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nccc(n2)C(F)(F)F)cc1)-c1ccccc1 Show InChI InChI=1S/C29H27F3N4O4/c1-18-24(34-26(40-18)20-5-3-2-4-6-20)12-14-39-22-9-7-19(8-10-22)15-21-16-36(17-23(21)27(37)38)28-33-13-11-25(35-28)29(30,31)32/h2-11,13,21,23H,12,14-17H2,1H3,(H,37,38)/t21-,23+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50377302 (CHEMBL255930) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nccc(n2)C(F)(F)F)cc1)-c1ccccc1 Show InChI InChI=1S/C29H27F3N4O4/c1-18-24(34-26(40-18)20-5-3-2-4-6-20)12-14-39-22-9-7-19(8-10-22)15-21-16-36(17-23(21)27(37)38)28-33-13-11-25(35-28)29(30,31)32/h2-11,13,21,23H,12,14-17H2,1H3,(H,37,38)/t21-,23+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50199033 (5-[(5S,9R)-9-(4-CYANOPHENYL)-3-(3,5-DICHLOROPHENYL...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(Cc2cc(cs2)C(O)=O)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C26H20Cl2N4O4S/c1-30-25(36)32(20-8-18(27)7-19(28)9-20)24(35)26(30)14-31(11-21-6-17(13-37-21)23(33)34)12-22(26)16-4-2-15(10-29)3-5-16/h2-9,13,22H,11-12,14H2,1H3,(H,33,34)/t22-,26+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Cerep Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of T cell to HUVEC				J Med Chem 49: 6946-9 (2006) Article DOI: 10.1021/jm0610806 BindingDB Entry DOI: 10.7270/Q2SF2XC3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-L (Homo sapiens (Human))	BDBM50318234 (2-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1nccc(n1)C(O)=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C25H18Cl2N6O4/c1-31-24(37)33(18-9-16(26)8-17(27)10-18)22(36)25(31)13-32(23-29-7-6-20(30-23)21(34)35)12-19(25)15-4-2-14(11-28)3-5-15/h2-10,19H,12-13H2,1H3,(H,34,35)/t19-,25+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50199038 (4-[(5S,9R)-9-(4-cyano-phenyl)-3-(3,5-dichloro-phen...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(CCCC(O)=O)C[C@H]1c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C24H22Cl2N4O4/c1-28-23(34)30(19-10-17(25)9-18(26)11-19)22(33)24(28)14-29(8-2-3-21(31)32)13-20(24)16-6-4-15(12-27)5-7-16/h4-7,9-11,20H,2-3,8,13-14H2,1H3,(H,31,32)/t20-,24+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Cerep Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of T cell to HUVEC				J Med Chem 49: 6946-9 (2006) Article DOI: 10.1021/jm0610806 BindingDB Entry DOI: 10.7270/Q2SF2XC3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50248409 (2-(5-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)ph...) Show SMILES Cc1oc(nc1CCOc1cccc(c1)-c1nn(nc1CC(O)=O)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C28H24N4O4/c1-19-24(29-28(36-19)20-9-4-2-5-10-20)15-16-35-23-14-8-11-21(17-23)27-25(18-26(33)34)30-32(31-27)22-12-6-3-7-13-22/h2-14,17H,15-16,18H2,1H3,(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 19: 1451-6 (2009) Article DOI: 10.1016/j.bmcl.2009.01.030 BindingDB Entry DOI: 10.7270/Q2MC8ZW8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50063311 (CHEMBL3398444) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2ccccc2)c1)-c1ccccc1 |r| Show InChI InChI=1S/C30H30N2O4/c1-21-28(31-29(36-21)23-10-4-2-5-11-23)15-16-35-26-14-8-9-22(18-26)17-24-19-32(20-27(24)30(33)34)25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,33,34)/t24-,27+/m1/s1	PDB UniProtKB/SwissProt 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
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50372118 (CHEMBL255389) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@H]2[C@H](N(C2=O)c2ccc(cc2)C(C)(C)C)C(O)=O)c1)-c1ccccc1 Show InChI InChI=1S/C33H34N2O5/c1-21-28(34-30(40-21)23-10-6-5-7-11-23)17-18-39-26-12-8-9-22(19-26)20-27-29(32(37)38)35(31(27)36)25-15-13-24(14-16-25)33(2,3)4/h5-16,19,27,29H,17-18,20H2,1-4H3,(H,37,38)/t27-,29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARgamma				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50372105 (CHEMBL411118) Show SMILES COc1ccc(cc1)N1[C@@H]([C@H](Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)C1=O)C(O)=O Show InChI InChI=1S/C30H28N2O6/c1-19-26(31-28(38-19)21-6-4-3-5-7-21)16-17-37-24-12-8-20(9-13-24)18-25-27(30(34)35)32(29(25)33)22-10-14-23(36-2)15-11-22/h3-15,25,27H,16-18H2,1-2H3,(H,34,35)/t25-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARgamma				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063315 (CHEMBL3398446) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nccc(n2)C(F)(F)F)c1)-c1ccccc1 |r| Show InChI InChI=1S/C29H27F3N4O4/c1-18-24(34-26(40-18)20-7-3-2-4-8-20)11-13-39-22-9-5-6-19(15-22)14-21-16-36(17-23(21)27(37)38)28-33-12-10-25(35-28)29(30,31)32/h2-10,12,15,21,23H,11,13-14,16-17H2,1H3,(H,37,38)/t21-,23+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50063311 (CHEMBL3398444) Show SMILES Cc1oc(nc1CCOc1cccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2ccccc2)c1)-c1ccccc1 |r| Show InChI InChI=1S/C30H30N2O4/c1-21-28(31-29(36-21)23-10-4-2-5-11-23)15-16-35-26-14-8-9-22(18-26)17-24-19-32(20-27(24)30(33)34)25-12-6-3-7-13-25/h2-14,18,24,27H,15-17,19-20H2,1H3,(H,33,34)/t24-,27+/m1/s1	PDB UniProtKB/SwissProt 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
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARalpha (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28681 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...) Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of PPARgamma				Bioorg Med Chem Lett 18: 1939-44 (2008) Article DOI: 10.1016/j.bmcl.2008.01.126 BindingDB Entry DOI: 10.7270/Q28S4QR3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50063313 (CHEMBL3398454) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@@H]2CN(C[C@@H]2C(O)=O)c2nc(co2)C(F)(F)F)cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H26F3N3O5/c1-17-23(32-25(39-17)19-5-3-2-4-6-19)11-12-37-21-9-7-18(8-10-21)13-20-14-34(15-22(20)26(35)36)27-33-24(16-38-27)28(29,30)31/h2-10,16,20,22H,11-15H2,1H3,(H,35,36)/t20-,22+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development (R&D) Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) using fluorescein-tagged dual PPARalpha/gamma activator by homogeneous fluorescence polarization bindi...				Bioorg Med Chem Lett 25: 1196-205 (2015) Article DOI: 10.1016/j.bmcl.2015.01.066 BindingDB Entry DOI: 10.7270/Q20866ZP
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50318228 (2-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1cc(ccn1)C(O)=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C26H19Cl2N5O4/c1-31-25(37)33(20-10-18(27)9-19(28)11-20)24(36)26(31)14-32(22-8-17(23(34)35)6-7-30-22)13-21(26)16-4-2-15(12-29)3-5-16/h2-11,21H,13-14H2,1H3,(H,34,35)/t21-,26+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated human T cell proliferation assessed as [3H]thymidine uptake after 4 days by mixed lymphocyte reaction assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50248463 (2-(5-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)be...) Show SMILES Cc1oc(nc1CCOc1ccc(Cc2nn(nc2CC(O)=O)-c2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C29H26N4O4/c1-20-25(30-29(37-20)22-8-4-2-5-9-22)16-17-36-24-14-12-21(13-15-24)18-26-27(19-28(34)35)32-33(31-26)23-10-6-3-7-11-23/h2-15H,16-19H2,1H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to PPARalpha (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 19: 1451-6 (2009) Article DOI: 10.1016/j.bmcl.2009.01.030 BindingDB Entry DOI: 10.7270/Q2MC8ZW8
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50318237 (4-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1ccnc(c1)C(O)=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C26H19Cl2N5O4/c1-31-25(37)33(20-9-17(27)8-18(28)10-20)24(36)26(31)14-32(19-6-7-30-22(11-19)23(34)35)13-21(26)16-4-2-15(12-29)3-5-16/h2-11,21H,13-14H2,1H3,(H,34,35)/t21-,26+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50318240 (2-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1nc(co1)C(O)=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C24H17Cl2N5O5/c1-29-23(35)31(17-7-15(25)6-16(26)8-17)21(34)24(29)12-30(22-28-19(11-36-22)20(32)33)10-18(24)14-4-2-13(9-27)3-5-14/h2-8,11,18H,10,12H2,1H3,(H,32,33)/t18-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50318220 (6-((5S,9R)-9-(4-Cyanophenyl)-3-(3,5-dichlorophenyl...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1ccc(cn1)C(O)=O)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C26H19Cl2N5O4/c1-31-25(37)33(20-9-18(27)8-19(28)10-20)24(36)26(31)14-32(22-7-6-17(12-30-22)23(34)35)13-21(26)16-4-2-15(11-29)3-5-16/h2-10,12,21H,13-14H2,1H3,(H,34,35)/t21-,26+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated human T cell proliferation assessed as [3H]thymidine uptake after 4 days by mixed lymphocyte reaction assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-L (Homo sapiens (Human))	BDBM50318239 (4,4'-((5S,9R)-3-(3,5-Dichlorophenyl)-1-methyl-2,4-...) Show SMILES CN1C(=O)N(C(=O)[C@]11CN(C[C@H]1c1ccc(cc1)C#N)c1ccc(cc1)C#N)c1cc(Cl)cc(Cl)c1 |r| Show InChI InChI=1S/C27H19Cl2N5O2/c1-32-26(36)34(23-11-20(28)10-21(29)12-23)25(35)27(32)16-33(22-8-4-18(14-31)5-9-22)15-24(27)19-6-2-17(13-30)3-7-19/h2-12,24H,15-16H2,1H3/t24-,27+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Inhibition of LFA1-mediated adhesion of human T cells to ICAM1-expressing HUVEC by fluorescence assay				J Med Chem 53: 3814-30 (2010) Article DOI: 10.1021/jm100348u BindingDB Entry DOI: 10.7270/Q2KP82B4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50248288 (5-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzy...) Show SMILES Cc1oc(nc1CCOc1cccc(Cc2nn(nc2C(O)=O)-c2ccccc2)c1)-c1ccccc1 Show InChI InChI=1S/C28H24N4O4/c1-19-24(29-27(36-19)21-10-4-2-5-11-21)15-16-35-23-14-8-9-20(17-23)18-25-26(28(33)34)31-32(30-25)22-12-6-3-7-13-22/h2-14,17H,15-16,18H2,1H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to PPARalpha (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 19: 1451-6 (2009) Article DOI: 10.1016/j.bmcl.2009.01.030 BindingDB Entry DOI: 10.7270/Q2MC8ZW8
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50248288 (5-(3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzy...) Show SMILES Cc1oc(nc1CCOc1cccc(Cc2nn(nc2C(O)=O)-c2ccccc2)c1)-c1ccccc1 Show InChI InChI=1S/C28H24N4O4/c1-19-24(29-27(36-19)21-10-4-2-5-11-21)15-16-35-23-14-8-9-20(17-23)18-25-26(28(33)34)31-32(30-25)22-12-6-3-7-13-22/h2-14,17H,15-16,18H2,1H3,(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Binding affinity to PPARgamma (unknown origin) by fluorescence polarization assay				Bioorg Med Chem Lett 19: 1451-6 (2009) Article DOI: 10.1016/j.bmcl.2009.01.030 BindingDB Entry DOI: 10.7270/Q2MC8ZW8
					More data for this Ligand-Target Pair

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