Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with all data for entry = 4460   

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 (Homo sapiens (Human))	BDBM39009 (6-(4-bromophenyl)-2-(methylsulfinyl)-4-phenylnicot...) Show SMILES CS(=O)c1nc(cc(-c2ccccc2)c1C#N)-c1ccc(Br)cc1 Show InChI InChI=1S/C19H13BrN2OS/c1-24(23)19-17(12-21)16(13-5-3-2-4-6-13)11-18(22-19)14-7-9-15(20)10-8-14/h2-11H,1H3	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.67E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM75442 (2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]phe...) Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1 Show InChI InChI=1S/C25H25NO2S/c1-26(2)15-16-28-20-13-11-18(12-14-20)24-22-9-4-5-10-23(22)29-25(24)19-7-6-8-21(17-19)27-3/h4-14,17H,15-16H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.24E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM61009 ((1aS,3aS,6aS,6bR)-5,5,6b-trimethyl-3a,4,6,6a-tetra...) Show SMILES C[C@]12C[C@@]1(C=O)C(C=O)=C[C@@H]1CC(C)(C)C[C@H]21 |c:9| Show InChI InChI=1S/C15H20O2/c1-13(2)5-10-4-11(7-16)15(9-17)8-14(15,3)12(10)6-13/h4,7,9-10,12H,5-6,8H2,1-3H3/t10-,12+,14-,15-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.15E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM61011 ((3'S,4'R)-1'-(4-chlorophenyl)-2'-cyano-spiro[fluor...) Show SMILES COC(=O)[C@@H]1[C@@H](C(=O)OC)C2(N(N1C#N)c1ccc(Cl)cc1)c1ccccc1-c1ccccc21 Show InChI InChI=1S/C26H20ClN3O4/c1-33-24(31)22-23(25(32)34-2)29(15-28)30(17-13-11-16(27)12-14-17)26(22)20-9-5-3-7-18(20)19-8-4-6-10-21(19)26/h3-14,22-23H,1-2H3/t22-,23-/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM41056 (2-{4-[2-(1-benzofuran-2-ylcarbonyl)carbohydrazonoy...) Show SMILES Clc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1OCC(=O)Nc1ccccc1 |w:5.5| Show InChI InChI=1S/C24H18ClN3O4/c25-19-12-16(10-11-21(19)31-15-23(29)27-18-7-2-1-3-8-18)14-26-28-24(30)22-13-17-6-4-5-9-20(17)32-22/h1-14H,15H2,(H,27,29)(H,28,30)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM67922 (4-chlorophenyl 3-phenyl-6-(trifluoromethyl)-1,2,4-...) Show SMILES FC(F)(F)c1nnc(nc1Sc1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C16H9ClF3N3S/c17-11-6-8-12(9-7-11)24-15-13(16(18,19)20)22-23-14(21-15)10-4-2-1-3-5-10/h1-9H	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	730	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM63203 (2-[2-[(Z)-2-nitroethenyl]phenoxy]acetic acid ethyl...) Show SMILES CCOC(=O)COc1ccccc1\C=C/[N+]([O-])=O Show InChI InChI=1S/C12H13NO5/c1-2-17-12(14)9-18-11-6-4-3-5-10(11)7-8-13(15)16/h3-8H,2,9H2,1H3/b8-7-	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	2.45E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM61511 ((E)-3-(4-chloranyl-3-nitro-phenyl)-2-cyano-N-(1-ph...) Show SMILES CC(NC(=O)C(=C\c1ccc(Cl)c(c1)[N+]([O-])=O)\C#N)c1ccccc1 Show InChI InChI=1S/C18H14ClN3O3/c1-12(14-5-3-2-4-6-14)21-18(23)15(11-20)9-13-7-8-16(19)17(10-13)22(24)25/h2-10,12H,1H3,(H,21,23)/b15-9+	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	950	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM61070 ((Z)-2-[3-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b...) Show SMILES CCOC(=O)C(=Cc1ccc(OC(F)F)cc1)C1=Nn2c(SC1)nnc2-c1ccc(Cl)cc1 |w:6.6,t:18| Show InChI InChI=1S/C22H17ClF2N4O3S/c1-2-31-20(30)17(11-13-3-9-16(10-4-13)32-21(24)25)18-12-33-22-27-26-19(29(22)28-18)14-5-7-15(23)8-6-14/h3-11,21H,2,12H2,1H3	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	7.79E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM75435 ((4-methoxyphenyl)-(2-morpholin-4-yl-5-nitro-phenyl...) Show SMILES COc1ccc(cc1)C(=O)c1cc(ccc1N1CCOCC1)[N+]([O-])=O Show InChI InChI=1S/C18H18N2O5/c1-24-15-5-2-13(3-6-15)18(21)16-12-14(20(22)23)4-7-17(16)19-8-10-25-11-9-19/h2-7,12H,8-11H2,1H3	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM75436 ((E)-3-(4-chloranyl-3-nitro-phenyl)-2-cyano-N-(3-et...) Show SMILES CCOCCCNC(=O)C(=C\c1ccc(Cl)c(c1)[N+]([O-])=O)\C#N Show InChI InChI=1S/C15H16ClN3O4/c1-2-23-7-3-6-18-15(20)12(10-17)8-11-4-5-13(16)14(9-11)19(21)22/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,20)/b12-8+	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	3.59E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM67028 (MLS002320507 | SMR001338797 | cid_42628598 | okada...) Show SMILES [H][C@@]12CC[C@@]3(CC[C@@H](O3)\C=C\C(C)[C@@H]3CC(C)=CC4(O[C@H](C[C@@](C)(O)CO)CCC4O)O3)O[C@@]1([H])C(O)C(=C)[C@H](O2)C(O)CC(C)[C@H]1OC2(CCCCO2)CCC1C |c:17| Show InChI InChI=1S/C44H70O12/c1-26-21-35(54-44(23-26)36(47)12-11-32(53-44)24-41(6,49)25-45)27(2)9-10-31-14-18-43(52-31)19-15-34-40(56-43)37(48)30(5)39(51-34)33(46)22-29(4)38-28(3)13-17-42(55-38)16-7-8-20-50-42/h9-10,23,27-29,31-40,45-49H,5,7-8,11-22,24-25H2,1-4,6H3/b10-9+/t27?,28?,29?,31-,32-,33?,34+,35-,36?,37?,38-,39-,40+,41+,42?,43+,44?/m0/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	610	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM75437 (MLS002320514 | PbTx-1 | SMR000265084 | cid_1674532...) Show SMILES C[C@H]1CC2O[C@]3(C)C[C@H](C)CC4OC(=O)CC4OC3CC2OC2CC=CCC3OC4CCCC5OC6CC7O[C@H](CC(=C)C=O)C[C@H](O)C7OC6C[C@]5(C)OC4\C=C/CC3OC12 |c:63| Show InChI InChI=1S/C49H70O13/c1-26-17-36-39(22-45(52)58-36)57-44-21-38-40(62-48(44,4)23-26)18-28(3)46-35(55-38)11-7-6-10-31-32(59-46)12-8-14-34-33(54-31)13-9-15-43-49(5,61-34)24-42-37(56-43)20-41-47(60-42)30(51)19-29(53-41)16-27(2)25-50/h6-8,14,25-26,28-44,46-47,51H,2,9-13,15-24H2,1,3-5H3/b7-6?,14-8-/t26-,28+,29-,30+,31?,32?,33?,34?,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,46?,47?,48-,49+/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM67060 (1-[2-[4-(2-phenyl-1-benzothiophen-3-yl)phenoxy]eth...) Show SMILES C(CN1CCCC1)Oc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C26H25NOS/c1-2-8-21(9-3-1)26-25(23-10-4-5-11-24(23)29-26)20-12-14-22(15-13-20)28-19-18-27-16-6-7-17-27/h1-5,8-15H,6-7,16-19H2	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM75439 (MLS002473625 | N,N-dimethyl-2-[4-(2-phenyl-1-benzo...) Show SMILES CN(C)CCOc1ccc(cc1)-c1c(sc2ccccc12)-c1ccccc1 Show InChI InChI=1S/C24H23NOS/c1-25(2)16-17-26-20-14-12-18(13-15-20)23-21-10-6-7-11-22(21)27-24(23)19-8-4-3-5-9-19/h3-15H,16-17H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM75440 (1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...) Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H29NO2S/c1-30-24-9-7-8-22(20-24)28-27(25-10-3-4-11-26(25)32-28)21-12-14-23(15-13-21)31-19-18-29-16-5-2-6-17-29/h3-4,7-15,20H,2,5-6,16-19H2,1H3	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.46E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM75441 (1-[2-[4-[2-(3-methoxyphenyl)-1-benzothiophen-3-yl]...) Show SMILES COc1cccc(c1)-c1sc2ccccc2c1-c1ccc(OCCN2CCCC2)cc1 Show InChI InChI=1S/C27H27NO2S/c1-29-23-8-6-7-21(19-23)27-26(24-9-2-3-10-25(24)31-27)20-11-13-22(14-12-20)30-18-17-28-15-4-5-16-28/h2-3,6-14,19H,4-5,15-18H2,1H3	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM75443 (2-[4-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]phe...) Show SMILES COc1ccc(cc1)-c1sc2ccccc2c1-c1ccc(OCCN(C)C)cc1 Show InChI InChI=1S/C25H25NO2S/c1-26(2)16-17-28-21-14-8-18(9-15-21)24-22-6-4-5-7-23(22)29-25(24)19-10-12-20(27-3)13-11-19/h4-15H,16-17H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM41587 (2'-(4-chlorophenyl)-1'-cyano-4'-spiro[fluorene-9,3...) Show SMILES COC(=O)C1CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12 Show InChI InChI=1S/C24H18ClN3O2/c1-30-23(29)22-14-27(15-26)28(17-12-10-16(25)11-13-17)24(22)20-8-4-2-6-18(20)19-7-3-5-9-21(19)24/h2-13,22H,14H2,1H3	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	6.71E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM57650 (5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-N-(3-chloran...) Show SMILES Cc1ccc(NC(=O)c2cc(ccc2N2CCOCC2)N2C(=O)C=CC2=O)cc1Cl |c:25| Show InChI InChI=1S/C22H20ClN3O4/c1-14-2-3-15(12-18(14)23)24-22(29)17-13-16(26-20(27)6-7-21(26)28)4-5-19(17)25-8-10-30-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,24,29)	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM75438 (2-[4-[5-methoxy-2-(3-methoxyphenyl)-1-benzothiophe...) Show SMILES COc1cccc(c1)-c1sc2ccc(OC)cc2c1-c1ccc(OCCN(C)C)cc1 Show InChI InChI=1S/C26H27NO3S/c1-27(2)14-15-30-20-10-8-18(9-11-20)25-23-17-22(29-4)12-13-24(23)31-26(25)19-6-5-7-21(16-19)28-3/h5-13,16-17H,14-15H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	220	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair
Integrin alpha-4 (Homo sapiens (Human))	BDBM47938 ((4'S)-2'-(4-chlorophenyl)-1'-cyano-4'-(2-keto-2-me...) Show SMILES COC(=O)C[C@@]1(CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12)C(=O)OC Show InChI InChI=1S/C27H22ClN3O4/c1-34-24(32)15-26(25(33)35-2)16-30(17-29)31(19-13-11-18(28)12-14-19)27(26)22-9-5-3-7-20(22)21-8-4-6-10-23(21)27/h3-14H,15-16H2,1-2H3/t26-/m1/s1	PDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support Project Title:HTS for Identification of VLA-4 Allosteric Modulators 1 R01 HL081062-01 PI:Lar...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2ZG6QP2
					More data for this Ligand-Target Pair