Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50003995   

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/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50478403 (CHEBI:23527 | CYTOCHALASIN B) Show SMILES [H][C@]12[C@H](Cc3ccccc3)NC(=O)[C@]11OC(=O)\C=C\[C@H](O)CCC[C@@H](C)C\C=C\[C@@]1([H])[C@H](O)C(=C)[C@H]2C |r,t:19,29| Show InChI InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18-19,22-24,26-27,31,33H,3,7,9-10,13,17H2,1-2H3,(H,30,34)/b14-8+,16-15+/t18-,19-,22-,23+,24+,26+,27-,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of LFA1/ICAM1-mediated adhesion of HL60 cells to CHO-ICAM1 cells				J Nat Prod 67: 772-7 (2004) Article DOI: 10.1021/np030524n BindingDB Entry DOI: 10.7270/Q24M97BV
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50478404 (CHEMBL452089) Show SMILES [H][C@]12[C@@H](OC(=O)[C@H](C)CC)C(=O)O[C@]3([H])C[C@@]4([H])C(C)=CC(=O)[C@@H](O)[C@]4(C)[C@@]4([H])[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@]1(C)OC[C@@]234 |r,c:19| Show InChI InChI=1S/C29H38O11/c1-8-12(2)25(34)40-20-22-28(7)24(38-15(5)31)19(37-14(4)30)21-27(6)16(13(3)9-17(32)23(27)33)10-18(39-26(20)35)29(21,22)11-36-28/h9,12,16,18-24,33H,8,10-11H2,1-7H3/t12-,16+,18-,19-,20-,21-,22+,23-,24+,27+,28-,29-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>4.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of LFA1/ICAM1-mediated adhesion of HL60 cells to CHO-ICAM1 cells				J Nat Prod 67: 772-7 (2004) Article DOI: 10.1021/np030524n BindingDB Entry DOI: 10.7270/Q24M97BV
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50478402 ((+)-Oricinolide | CHEMBL480688) Show SMILES [H][C@]12[C@@H](OC(=O)[C@H](C)CC)C(=O)O[C@]3([H])C[C@@]4([H])C(C)=C[C@H](O)[C@@H](O)[C@]4(C)[C@@]4([H])[C@@H](O)[C@@H](O)[C@]1(C)OC[C@@]234 |r,c:19| Show InChI InChI=1S/C25H36O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12-20,26-29H,6,8-9H2,1-5H3/t10-,12+,13+,14-,15-,16-,17-,18+,19-,20-,23+,24-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of LFA1/ICAM1-mediated adhesion of HL60 cells to CHO-ICAM1 cells				J Nat Prod 67: 772-7 (2004) Article DOI: 10.1021/np030524n BindingDB Entry DOI: 10.7270/Q24M97BV
					More data for this Ligand-Target Pair
Integrin alpha-L/Integrin beta-2/Intercellular adhesion molecule 1 (Homo sapiens (Human))	BDBM50478405 (CHEBI:66486 | NSC-266494 | Simalikalactone D) Show SMILES [H][C@]12[C@@H](OC(=O)[C@H](C)CC)C(=O)O[C@]3([H])C[C@@]4([H])C(C)=CC(=O)[C@@H](O)[C@]4(C)[C@@]4([H])[C@@H](O)[C@H](O)[C@]1(C)OC[C@@]234 |r,c:19| Show InChI InChI=1S/C25H34O9/c1-6-10(2)21(30)34-16-18-24(5)20(29)15(27)17-23(4)12(11(3)7-13(26)19(23)28)8-14(33-22(16)31)25(17,18)9-32-24/h7,10,12,14-20,27-29H,6,8-9H2,1-5H3/t10-,12+,14-,15-,16-,17-,18+,19-,20+,23+,24-,25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of LFA1/ICAM1-mediated adhesion of HL60 cells to CHO-ICAM1 cells				J Nat Prod 67: 772-7 (2004) Article DOI: 10.1021/np030524n BindingDB Entry DOI: 10.7270/Q24M97BV
					More data for this Ligand-Target Pair