BDBM50426077 CHEMBL2315999

SMILES: CC[C@H](C)[C@H](OCc1ccccc1)[C@H]1[C@@H]([C@@H](N[C@]1(C)C(=O)NCCC(O)=O)c1ccccc1)[N+]([O-])=O

InChI Key: InChIKey=WSUFYWDDGAKRPT-NVQOMKKLSA-N

Data: 1 IC50  1 Kd

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 = 50426077   

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/beta-2 (LFA-1) (Homo sapiens (Human))	BDBM50426077 (CHEMBL2315999) Show SMILES CC[C@H](C)[C@H](OCc1ccccc1)[C@H]1[C@@H]([C@@H](N[C@]1(C)C(=O)NCCC(O)=O)c1ccccc1)[N+]([O-])=O |r| Show InChI InChI=1S/C27H35N3O6/c1-4-18(2)25(36-17-19-11-7-5-8-12-19)22-24(30(34)35)23(20-13-9-6-10-14-20)29-27(22,3)26(33)28-16-15-21(31)32/h5-14,18,22-25,29H,4,15-17H2,1-3H3,(H,28,33)(H,31,32)/t18-,22+,23-,24-,25-,27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a
Ikerchem Ltd. Curated by ChEMBL					Assay Description Binding affinity to I-domain of human integrin alphaL (amino acid residues 128 to 307) plus initial methionine expressed in Escherichia coli by NMR s...				J Med Chem 56: 735-47 (2013) Article DOI: 10.1021/jm3016848 BindingDB Entry DOI: 10.7270/Q2862HSF
					More data for this Ligand-Target Pair
integrin alpha-L (Mus musculus)	BDBM50426077 (CHEMBL2315999) Show SMILES CC[C@H](C)[C@H](OCc1ccccc1)[C@H]1[C@@H]([C@@H](N[C@]1(C)C(=O)NCCC(O)=O)c1ccccc1)[N+]([O-])=O |r| Show InChI InChI=1S/C27H35N3O6/c1-4-18(2)25(36-17-19-11-7-5-8-12-19)22-24(30(34)35)23(20-13-9-6-10-14-20)29-27(22,3)26(33)28-16-15-21(31)32/h5-14,18,22-25,29H,4,15-17H2,1-3H3,(H,28,33)(H,31,32)/t18-,22+,23-,24-,25-,27-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.76E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ikerchem Ltd. Curated by ChEMBL					Assay Description Inhibition of LFA-1/ICAM-1 interaction in mouse Lim51b cells assessed as PMA-induced adhesion to ICAM-1 expressing HSE cells measured per 10'5 cells ...				J Med Chem 56: 735-47 (2013) Article DOI: 10.1021/jm3016848 BindingDB Entry DOI: 10.7270/Q2862HSF
					More data for this Ligand-Target Pair