BDBM50145392 (S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-{2-[(1R,5R)-3-(4-hydroxy-3-methoxy-benzyl)-4-methoxycarbonylmethyl-2-oxo-[1,3]oxazinan-6-yl]-ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalen-1-yl ester::CHEMBL314245

SMILES: CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](CC(=O)OC)N(Cc4ccc(O)c(OC)c4)C(=O)O3)[C@@H]12

InChI Key: InChIKey=DLXSYTAQBCLTQI-XFAJEYMZSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50145392   

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 beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha (Homo sapiens (Human))	BDBM50145392 ((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-{2-[...) Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](CC(=O)OC)N(Cc4ccc(O)c(OC)c4)C(=O)O3)[C@@H]12 |c:13,t:11| Show InChI InChI=1S/C34H47NO8/c1-7-21(3)33(38)43-30-15-20(2)14-24-10-8-22(4)27(32(24)30)12-11-26-17-25(18-31(37)41-6)35(34(39)42-26)19-23-9-13-28(36)29(16-23)40-5/h8-10,13-14,16,20-22,25-27,30,32,36H,7,11-12,15,17-19H2,1-6H3/t20-,21-,22-,25+,26+,27-,30-,32-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia 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
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of HUT78 cell adhesion to immobilized ICAM-1 protein				Bioorg Med Chem Lett 14: 2483-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.006 BindingDB Entry DOI: 10.7270/Q2N58KT2
					More data for this Ligand-Target Pair
Integrin beta-2/Intercellular adhesion molecule-1 /Leukocyte adhesion glycoprotein LFA-1 alpha (Homo sapiens (Human))	BDBM50145392 ((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-{2-[...) Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](CC(=O)OC)N(Cc4ccc(O)c(OC)c4)C(=O)O3)[C@@H]12 |c:13,t:11| Show InChI InChI=1S/C34H47NO8/c1-7-21(3)33(38)43-30-15-20(2)14-24-10-8-22(4)27(32(24)30)12-11-26-17-25(18-31(37)41-6)35(34(39)42-26)19-23-9-13-28(36)29(16-23)40-5/h8-10,13-14,16,20-22,25-27,30,32,36H,7,11-12,15,17-19H2,1-6H3/t20-,21-,22-,25+,26+,27-,30-,32-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description In vitro inhibition of recombinant ICAM-1 binding to purified immobilized LFA-1 using cell-free assay				Bioorg Med Chem Lett 14: 2483-7 (2004) Article DOI: 10.1016/j.bmcl.2004.03.006 BindingDB Entry DOI: 10.7270/Q2N58KT2
					More data for this Ligand-Target Pair