Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50004097   

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))	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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of LFA1:CD11a/CD18/ICAM1-mediated human HL60 cell adhesion to human HeLa cells expressing ICAM1 by fluorescence analysis				J Nat Prod 66: 962-7 (2003) Article DOI: 10.1021/np030086k BindingDB Entry DOI: 10.7270/Q2M61P1C
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50478475 (CHEBI:3533 | Cephaeline) Show SMILES [H][C@@]12C[C@H](C[C@H]3NCCc4cc(O)c(OC)cc34)[C@@H](CC)CN1CCc1cc(OC)c(OC)cc21 Show InChI InChI=1S/C28H38N2O4/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3/t17-,20-,23+,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of LFA1:CD11a/CD18/ICAM1-mediated human HL60 cell adhesion to human HeLa cells expressing ICAM1 by fluorescence analysis				J Nat Prod 66: 962-7 (2003) Article DOI: 10.1021/np030086k BindingDB Entry DOI: 10.7270/Q2M61P1C
					More data for this Ligand-Target Pair
Integrin alpha-L (Homo sapiens (Human))	BDBM50216297 (6',7',10,11-tetramethoxyemetan | CHEMBL50588 | Eme...) Show SMILES CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1NCCc2cc(OC)c(OC)cc12 |r| Show InChI InChI=1S/C29H40N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,24-25,30H,6-12,17H2,1-5H3/t18-,21-,24+,25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.04E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Inhibition of LFA1:CD11a/CD18/ICAM1-mediated human HL60 cell adhesion to human HeLa cells expressing ICAM1 by fluorescence analysis				J Nat Prod 66: 962-7 (2003) Article DOI: 10.1021/np030086k BindingDB Entry DOI: 10.7270/Q2M61P1C
					More data for this Ligand-Target Pair