Compile Data Set for Download or QSAR

Found 101 hits of ic50 for UniProtKB: P20701   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50161080 ((S)-2-[(S)-3-Isobutyl-2,5-dioxo-4-((E)-3-pyridin-4...) Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(CC=Cc2ccncc2)[C@@H](CC(C)C)C1=O |w:24.26| Show InChI InChI=1S/C31H36N4O3/c1-22(2)19-28-31(38)35(18-14-29(36)34(28)17-6-7-23-12-15-33-16-13-23)27(30(37)32-3)21-24-10-11-25-8-4-5-9-26(25)20-24/h4-13,15-16,20,22,27-28H,14,17-19,21H2,1-3H3,(H,32,37)/t27-,28-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)				Bioorg Med Chem Lett 15: 1217-20 (2005) Article DOI: 10.1016/j.bmcl.2004.11.072 BindingDB Entry DOI: 10.7270/Q20Z72S2
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157415 ((S)-1-{4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluo...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C26H25F3N2O2S/c1-16(2)19-6-3-4-8-22(19)34-23-10-9-17(14-20(23)26(27,28)29)18-11-12-30-24(15-18)31-13-5-7-21(31)25(32)33/h3-4,6,8-12,14-16,21H,5,7,13H2,1-2H3,(H,32,33)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157421 (4''-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluoromet...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C27H27F3N2O2S/c1-17(2)21-5-3-4-6-23(21)35-24-8-7-19(15-22(24)27(28,29)30)20-9-12-31-25(16-20)32-13-10-18(11-14-32)26(33)34/h3-9,12,15-18H,10-11,13-14H2,1-2H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157393 (4''-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluoromet...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCCC(C1)C(O)=O Show InChI InChI=1S/C27H27F3N2O2S/c1-17(2)21-7-3-4-8-23(21)35-24-10-9-18(14-22(24)27(28,29)30)19-11-12-31-25(15-19)32-13-5-6-20(16-32)26(33)34/h3-4,7-12,14-15,17,20H,5-6,13,16H2,1-2H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157368 ((3R,4R)-4-Hydroxy-4''-[4-(2-isopropyl-phenylsulfan...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CC[C@@H](O)[C@@H](C1)C(O)=O Show InChI InChI=1S/C27H27F3N2O3S/c1-16(2)19-5-3-4-6-23(19)36-24-8-7-17(13-21(24)27(28,29)30)18-9-11-31-25(14-18)32-12-10-22(33)20(15-32)26(34)35/h3-9,11,13-14,16,20,22,33H,10,12,15H2,1-2H3,(H,34,35)/t20-,22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157359 (4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluoromethy...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1cc(ncn1)N1CCCC(C1)c1nnn[nH]1 Show InChI InChI=1S/C26H26F3N7S/c1-16(2)19-7-3-4-8-22(19)37-23-10-9-17(12-20(23)26(27,28)29)21-13-24(31-15-30-21)36-11-5-6-18(14-36)25-32-34-35-33-25/h3-4,7-10,12-13,15-16,18H,5-6,11,14H2,1-2H3,(H,32,33,34,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157373 (4''-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluoromet...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC(CC1)c1nnn[nH]1 Show InChI InChI=1S/C27H27F3N6S/c1-17(2)21-5-3-4-6-23(21)37-24-8-7-19(15-22(24)27(28,29)30)20-9-12-31-25(16-20)36-13-10-18(11-14-36)26-32-34-35-33-26/h3-9,12,15-18H,10-11,13-14H2,1-2H3,(H,32,33,34,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157409 (1-(4-{4-[4-(2-ISOPROPYL-PHENYLSULFANYL)-3-TRIFLUOR...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1coc(n1)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C25H26F3N3O2S/c1-16(2)19-6-4-5-7-22(19)34-23-9-8-18(14-20(23)25(26,27)28)21-15-33-24(29-21)31-12-10-30(11-13-31)17(3)32/h4-9,14-16H,10-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157398 ((E)-1-(4-Acetyl-piperazin-1-yl)-3-[4-(2-isopropyl-...) Show SMILES CC(C)c1ccccc1Sc1ccc(\C=C\C(=O)N2CCN(CC2)C(C)=O)cc1C(F)(F)F Show InChI InChI=1S/C25H27F3N2O2S/c1-17(2)20-6-4-5-7-22(20)33-23-10-8-19(16-21(23)25(26,27)28)9-11-24(32)30-14-12-29(13-15-30)18(3)31/h4-11,16-17H,12-15H2,1-3H3/b11-9+	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157433 (1-(4-{4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluor...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1csc(n1)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C25H26F3N3OS2/c1-16(2)19-6-4-5-7-22(19)34-23-9-8-18(14-20(23)25(26,27)28)21-15-33-24(29-21)31-12-10-30(11-13-31)17(3)32/h4-9,14-16H,10-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157410 (1-(4-{6-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluor...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1cc(ncn1)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C26H27F3N4OS/c1-17(2)20-6-4-5-7-23(20)35-24-9-8-19(14-21(24)26(27,28)29)22-15-25(31-16-30-22)33-12-10-32(11-13-33)18(3)34/h4-9,14-17H,10-13H2,1-3H3	PDB UniProtKB/SwissProt 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
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157355 (CHEMBL181106 | N-((R)-1-{4-[4-(2-Isopropyl-phenyls...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CC[C@H](C1)NC(C)=O Show InChI InChI=1S/C27H28F3N3OS/c1-17(2)22-6-4-5-7-24(22)35-25-9-8-19(14-23(25)27(28,29)30)20-10-12-31-26(15-20)33-13-11-21(16-33)32-18(3)34/h4-10,12,14-15,17,21H,11,13,16H2,1-3H3,(H,32,34)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50161067 ((2R)-2-[3-ISOBUTYL-2,5-DIOXO-4-(QUINOLIN-3-YLMETHY...) Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2cnc3ccccc3c2)[C@@H](CC(C)C)C1=O Show InChI InChI=1S/C33H36N4O3/c1-22(2)16-30-33(40)36(29(32(39)34-3)19-23-12-13-25-8-4-5-9-26(25)17-23)15-14-31(38)37(30)21-24-18-27-10-6-7-11-28(27)35-20-24/h4-13,17-18,20,22,29-30H,14-16,19,21H2,1-3H3,(H,34,39)/t29-,30-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)				Bioorg Med Chem Lett 15: 1217-20 (2005) Article DOI: 10.1016/j.bmcl.2004.11.072 BindingDB Entry DOI: 10.7270/Q20Z72S2
					More data for this Ligand-Target Pair				3D Structure (crystal)
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50123241 ((S)-2-[(3S,5R)-3-Isobutyl-5-methyl-2-oxo-4-(2-quin...) Show SMILES CC(C)C[C@@H]1N([C@H](C)CCN([C@@H](Cc2ccc3ccccc3c2)C(N)=O)C1=O)C(=O)Cc1cnc2ccccc2c1 Show InChI InChI=1S/C34H38N4O3/c1-22(2)16-31-34(41)37(30(33(35)40)19-24-12-13-26-8-4-5-9-27(26)17-24)15-14-23(3)38(31)32(39)20-25-18-28-10-6-7-11-29(28)36-21-25/h4-13,17-18,21-23,30-31H,14-16,19-20H2,1-3H3,(H2,35,40)/t23-,30+,31+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)				Bioorg Med Chem Lett 15: 1217-20 (2005) Article DOI: 10.1016/j.bmcl.2004.11.072 BindingDB Entry DOI: 10.7270/Q20Z72S2
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50279780 (4''-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-ylsulfanyl)...) Show SMILES OC(=O)C1CCN(CC1)c1cc(ccn1)-c1ccc(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H23F3N2O4S/c27-26(28,29)20-13-17(1-4-23(20)36-19-2-3-21-22(15-19)35-12-11-34-21)18-5-8-30-24(14-18)31-9-6-16(7-10-31)25(32)33/h1-5,8,13-16H,6-7,9-12H2,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	71	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157405 (4''-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluoromet...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC(CC1)C(N)=O Show InChI InChI=1S/C27H28F3N3OS/c1-17(2)21-5-3-4-6-23(21)35-24-8-7-19(15-22(24)27(28,29)30)20-9-12-32-25(16-20)33-13-10-18(11-14-33)26(31)34/h3-9,12,15-18H,10-11,13-14H2,1-2H3,(H2,31,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157429 (4''-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluoromet...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC(O)CC1 Show InChI InChI=1S/C26H27F3N2OS/c1-17(2)21-5-3-4-6-23(21)33-24-8-7-18(15-22(24)26(27,28)29)19-9-12-30-25(16-19)31-13-10-20(32)11-14-31/h3-9,12,15-17,20,32H,10-11,13-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157366 ((R)-4''-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulfa...) Show SMILES OC(=O)C1CCCN(C1)c1cc(ccn1)-c1ccc(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H23F3N2O4S/c27-26(28,29)20-12-16(3-6-23(20)36-19-4-5-21-22(14-19)35-11-10-34-21)17-7-8-30-24(13-17)31-9-1-2-18(15-31)25(32)33/h3-8,12-14,18H,1-2,9-11,15H2,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157348 ((R)-1-{4-[4-(2-Methoxy-phenylsulfanyl)-3-trifluoro...) Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CC[C@@H](O)C1 Show InChI InChI=1S/C23H21F3N2O2S/c1-30-19-4-2-3-5-21(19)31-20-7-6-15(12-18(20)23(24,25)26)16-8-10-27-22(13-16)28-11-9-17(29)14-28/h2-8,10,12-13,17,29H,9,11,14H2,1H3/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157380 ((S)-1-{4-[4-(2-Methoxy-phenylsulfanyl)-3-trifluoro...) Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC[C@H]1C(O)=O Show InChI InChI=1S/C24H21F3N2O3S/c1-32-19-6-2-3-7-21(19)33-20-9-8-15(13-17(20)24(25,26)27)16-10-11-28-22(14-16)29-12-4-5-18(29)23(30)31/h2-3,6-11,13-14,18H,4-5,12H2,1H3,(H,30,31)/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157372 (CHEMBL362239 | {4''-[4-(2-Methoxy-phenylsulfanyl)-...) Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC(CO)CC1 Show InChI InChI=1S/C25H25F3N2O2S/c1-32-21-4-2-3-5-23(21)33-22-7-6-18(14-20(22)25(26,27)28)19-8-11-29-24(15-19)30-12-9-17(16-31)10-13-30/h2-8,11,14-15,17,31H,9-10,12-13,16H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157350 (4-{6-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluorome...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1cc(ncn1)N1CCOCC1 Show InChI InChI=1S/C24H24F3N3OS/c1-16(2)18-5-3-4-6-21(18)32-22-8-7-17(13-19(22)24(25,26)27)20-14-23(29-15-28-20)30-9-11-31-12-10-30/h3-8,13-16H,9-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157350 (4-{6-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluorome...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1cc(ncn1)N1CCOCC1 Show InChI InChI=1S/C24H24F3N3OS/c1-16(2)18-5-3-4-6-21(18)32-22-8-7-17(13-19(22)24(25,26)27)20-14-23(29-15-28-20)30-9-11-31-12-10-30/h3-8,13-16H,9-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157362 (CHEMBL183485 | N-((R)-1-{4-[4-(2-Methoxy-phenylsul...) Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CC[C@H](C1)N(C)C(C)=O Show InChI InChI=1S/C26H26F3N3O2S/c1-17(33)31(2)20-11-13-32(16-20)25-15-19(10-12-30-25)18-8-9-23(21(14-18)26(27,28)29)35-24-7-5-4-6-22(24)34-3/h4-10,12,14-15,20H,11,13,16H2,1-3H3/t20-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157367 (CHEMBL183506 | N-((R)-1-{4-[4-(2-Methoxy-phenylsul...) Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CC[C@H](C1)NC(C)=O Show InChI InChI=1S/C25H24F3N3O2S/c1-16(32)30-19-10-12-31(15-19)24-14-18(9-11-29-24)17-7-8-22(20(13-17)25(26,27)28)34-23-6-4-3-5-21(23)33-2/h3-9,11,13-14,19H,10,12,15H2,1-2H3,(H,30,32)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157365 ((2S,4R)-4-Hydroxy-1-{4-[4-(2-isopropyl-phenylsulfa...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1C[C@H](O)C[C@H]1C(O)=O Show InChI InChI=1S/C26H25F3N2O3S/c1-15(2)19-5-3-4-6-22(19)35-23-8-7-16(11-20(23)26(27,28)29)17-9-10-30-24(12-17)31-14-18(32)13-21(31)25(33)34/h3-12,15,18,21,32H,13-14H2,1-2H3,(H,33,34)/t18-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157375 (1-(4-{4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluor...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C27H28F3N3OS/c1-18(2)22-6-4-5-7-24(22)35-25-9-8-20(16-23(25)27(28,29)30)21-10-11-31-26(17-21)33-14-12-32(13-15-33)19(3)34/h4-11,16-18H,12-15H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157354 (1-{4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluorome...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC(O)C1 Show InChI InChI=1S/C25H25F3N2OS/c1-16(2)20-5-3-4-6-22(20)32-23-8-7-17(13-21(23)25(26,27)28)18-9-11-29-24(14-18)30-12-10-19(31)15-30/h3-9,11,13-14,16,19,31H,10,12,15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157374 (4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluoromethy...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1cc(ncn1)N1CCC(CC1)c1nnn[nH]1 Show InChI InChI=1S/C26H26F3N7S/c1-16(2)19-5-3-4-6-22(19)37-23-8-7-18(13-20(23)26(27,28)29)21-14-24(31-15-30-21)36-11-9-17(10-12-36)25-32-34-35-33-25/h3-8,13-17H,9-12H2,1-2H3,(H,32,33,34,35)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157361 (2-{4''-[4-(2-Methoxy-phenylsulfanyl)-3-trifluorome...) Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC(CCO)CC1 Show InChI InChI=1S/C26H27F3N2O2S/c1-33-22-4-2-3-5-24(22)34-23-7-6-19(16-21(23)26(27,28)29)20-8-12-30-25(17-20)31-13-9-18(10-14-31)11-15-32/h2-8,12,16-18,32H,9-11,13-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157431 (CHEMBL183295 | N-((R)-1-{4-[4-(2,3-Dihydro-benzo[1...) Show SMILES CC(=O)N[C@@H]1CCN(C1)c1cc(ccn1)-c1ccc(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H24F3N3O3S/c1-16(33)31-19-7-9-32(15-19)25-13-18(6-8-30-25)17-2-5-24(21(12-17)26(27,28)29)36-20-3-4-22-23(14-20)35-11-10-34-22/h2-6,8,12-14,19H,7,9-11,15H2,1H3,(H,31,33)/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157411 (CHEMBL180907 | N-((R)-1-{4-[4-(2-Isopropyl-phenyls...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CC[C@H](C1)N(C)C(C)=O Show InChI InChI=1S/C28H30F3N3OS/c1-18(2)23-7-5-6-8-25(23)36-26-10-9-20(15-24(26)28(29,30)31)21-11-13-32-27(16-21)34-14-12-22(17-34)33(4)19(3)35/h5-11,13,15-16,18,22H,12,14,17H2,1-4H3/t22-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157377 (4''-[4-(2-Methoxy-phenylsulfanyl)-3-trifluoromethy...) Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C25H23F3N2O3S/c1-33-20-4-2-3-5-22(20)34-21-7-6-17(14-19(21)25(26,27)28)18-8-11-29-23(15-18)30-12-9-16(10-13-30)24(31)32/h2-8,11,14-16H,9-10,12-13H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	113	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157382 (1-{6-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluorome...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1cc(ncn1)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C26H26F3N3O2S/c1-16(2)19-5-3-4-6-22(19)35-23-8-7-18(13-20(23)26(27,28)29)21-14-24(31-15-30-21)32-11-9-17(10-12-32)25(33)34/h3-8,13-17H,9-12H2,1-2H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157352 (1-{6-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluorome...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1cc(ncn1)N1CCCC(C1)C(O)=O Show InChI InChI=1S/C26H26F3N3O2S/c1-16(2)19-7-3-4-8-22(19)35-23-10-9-17(12-20(23)26(27,28)29)21-13-24(31-15-30-21)32-11-5-6-18(14-32)25(33)34/h3-4,7-10,12-13,15-16,18H,5-6,11,14H2,1-2H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157406 (1-(4-{4-[4-(2-Methoxy-phenylsulfanyl)-3-trifluorom...) Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C25H24F3N3O2S/c1-17(32)30-11-13-31(14-12-30)24-16-19(9-10-29-24)18-7-8-22(20(15-18)25(26,27)28)34-23-6-4-3-5-21(23)33-2/h3-10,15-16H,11-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157386 (4''-[4-(2-Methoxy-phenylsulfanyl)-3-trifluoromethy...) Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCCC(C1)C(O)=O Show InChI InChI=1S/C25H23F3N2O3S/c1-33-20-6-2-3-7-22(20)34-21-9-8-16(13-19(21)25(26,27)28)17-10-11-29-23(14-17)30-12-4-5-18(15-30)24(31)32/h2-3,6-11,13-14,18H,4-5,12,15H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157428 ((R)-1-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulf...) Show SMILES O[C@@H]1CCN(C1)c1cc(ccn1)-c1ccc(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F Show InChI InChI=1S/C24H21F3N2O3S/c25-24(26,27)19-11-15(16-5-7-28-23(12-16)29-8-6-17(30)14-29)1-4-22(19)33-18-2-3-20-21(13-18)32-10-9-31-20/h1-5,7,11-13,17,30H,6,8-10,14H2/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157397 (4''-[4-(2-Methoxy-phenylsulfanyl)-3-trifluoromethy...) Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC(O)CC1 Show InChI InChI=1S/C24H23F3N2O2S/c1-31-20-4-2-3-5-22(20)32-21-7-6-16(14-19(21)24(25,26)27)17-8-11-28-23(15-17)29-12-9-18(30)10-13-29/h2-8,11,14-15,18,30H,9-10,12-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50161072 ((S)-2-((S)-3-Isobutyl-2,5-dioxo-4-quinolin-6-yl-[1...) Show SMILES CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N([C@@H](CC(C)C)C1=O)c1ccc2ncccc2c1 Show InChI InChI=1S/C32H34N4O3/c1-21(2)17-29-32(39)35(16-14-30(37)36(29)26-12-13-27-25(20-26)9-6-15-34-27)28(31(38)33-3)19-22-10-11-23-7-4-5-8-24(23)18-22/h4-13,15,18,20-21,28-29H,14,16-17,19H2,1-3H3,(H,33,38)/t28-,29-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description In vitro inhibitory concentrationfor Lymphocyte function associated antigen 1/Intercellular adhesion molecule 1 (LFA-1/ICAM-1)				Bioorg Med Chem Lett 15: 1217-20 (2005) Article DOI: 10.1016/j.bmcl.2004.11.072 BindingDB Entry DOI: 10.7270/Q20Z72S2
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157425 (1-(4-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulfa...) Show SMILES CC(=O)N1CCN(CC1)c1cc(ccn1)-c1ccc(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H24F3N3O3S/c1-17(33)31-8-10-32(11-9-31)25-15-19(6-7-30-25)18-2-5-24(21(14-18)26(27,28)29)36-20-3-4-22-23(16-20)35-13-12-34-22/h2-7,14-16H,8-13H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157435 (2-{4''-[4-(2,3-Dihydro-benzo[1,4]dioxin-5-ylsulfan...) Show SMILES OCCC1CCN(CC1)c1cc(ccn1)-c1ccc(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F Show InChI InChI=1S/C27H27F3N2O3S/c28-27(29,30)22-15-19(1-4-25(22)36-21-2-3-23-24(17-21)35-14-13-34-23)20-5-9-31-26(16-20)32-10-6-18(7-11-32)8-12-33/h1-5,9,15-18,33H,6-8,10-14H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157418 (4''-[4-(2-Methoxy-phenylsulfanyl)-3-trifluoromethy...) Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC(CC1)C(N)=O Show InChI InChI=1S/C25H24F3N3O2S/c1-33-20-4-2-3-5-22(20)34-21-7-6-17(14-19(21)25(26,27)28)18-8-11-30-23(15-18)31-12-9-16(10-13-31)24(29)32/h2-8,11,14-16H,9-10,12-13H2,1H3,(H2,29,32)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157401 (Amino-{4''-[4-(2,3-dihydro-benzo[1,4]dioxin-6-ylsu...) Show SMILES NC(O)C1CCN(CC1)c1cc(ccn1)-c1ccc(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F Show InChI InChI=1S/C26H26F3N3O3S/c27-26(28,29)20-13-17(1-4-23(20)36-19-2-3-21-22(15-19)35-12-11-34-21)18-5-8-31-24(14-18)32-9-6-16(7-10-32)25(30)33/h1-5,8,13-16,25,33H,6-7,9-12,30H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157356 ((S)-1-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-ylsulf...) Show SMILES OC(=O)[C@@H]1CCCN1c1cc(ccn1)-c1ccc(Sc2ccc3OCCOc3c2)c(c1)C(F)(F)F Show InChI InChI=1S/C25H21F3N2O4S/c26-25(27,28)18-12-15(16-7-8-29-23(13-16)30-9-1-2-19(30)24(31)32)3-6-22(18)35-17-4-5-20-21(14-17)34-11-10-33-20/h3-8,12-14,19H,1-2,9-11H2,(H,31,32)/t19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157419 ((R)-1-{6-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluo...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1cc(ncn1)N1CC[C@@H](O)C1 Show InChI InChI=1S/C24H24F3N3OS/c1-15(2)18-5-3-4-6-21(18)32-22-8-7-16(11-19(22)24(25,26)27)20-12-23(29-14-28-20)30-10-9-17(31)13-30/h3-8,11-12,14-15,17,31H,9-10,13H2,1-2H3/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157347 (CHEMBL181377 | {4''-[4-(2-Isopropyl-phenylsulfanyl...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC(CO)CC1 Show InChI InChI=1S/C27H29F3N2OS/c1-18(2)22-5-3-4-6-24(22)34-25-8-7-20(15-23(25)27(28,29)30)21-9-12-31-26(16-21)32-13-10-19(17-33)11-14-32/h3-9,12,15-16,18-19,33H,10-11,13-14,17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157360 (2-{4''-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluoro...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCC(CCO)CC1 Show InChI InChI=1S/C28H31F3N2OS/c1-19(2)23-5-3-4-6-25(23)35-26-8-7-21(17-24(26)28(29,30)31)22-9-13-32-27(18-22)33-14-10-20(11-15-33)12-16-34/h3-9,13,17-20,34H,10-12,14-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157378 (4-{4-[4-(2-Isopropyl-phenylsulfanyl)-3-trifluorome...) Show SMILES CC(C)c1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCN(CC1)C=O Show InChI InChI=1S/C26H26F3N3OS/c1-18(2)21-5-3-4-6-23(21)34-24-8-7-19(15-22(24)26(27,28)29)20-9-10-30-25(16-20)32-13-11-31(17-33)12-14-32/h3-10,15-18H,11-14H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	165	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair
Integrin alpha-L/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50157414 (1-(4-{4-[4-(2-Methoxy-phenylsulfanyl)-3-trifluorom...) Show SMILES COc1ccccc1Sc1ccc(cc1C(F)(F)F)-c1ccnc(c1)N1CCCN(CC1)C(C)=O Show InChI InChI=1S/C26H26F3N3O2S/c1-18(33)31-12-5-13-32(15-14-31)25-17-20(10-11-30-25)19-8-9-23(21(16-19)26(27,28)29)35-24-7-4-3-6-22(24)34-2/h3-4,6-11,16-17H,5,12-15H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	168	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration against integrin LFA-1/ICAM-1 binding complex				Bioorg Med Chem Lett 15: 195-201 (2004) Article DOI: 10.1016/j.bmcl.2004.10.008 BindingDB Entry DOI: 10.7270/Q2KD1XFD
					More data for this Ligand-Target Pair

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