null

SMILES: C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)N1CCNCC1)c1cc(Cl)cc(Cl)c1

InChI Key: InChIKey=STPAECMJMZUXFA-HSZRJFAPSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50154488   

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 (Homo sapiens (Human))	BDBM50154488 ((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-3-m...) Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)N1CCNCC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C23H22BrCl2N5O3S/c1-23(13-15-2-4-16(24)5-3-15)21(32)30(19-11-17(25)10-18(26)12-19)22-28-14-20(31(22)23)35(33,34)29-8-6-27-7-9-29/h2-5,10-12,14,27H,6-9,13H2,1H3/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Dissociation constant against human Lymphocyte function associated antigen1 in LFA-1/ICAM-1 binding assay				J Med Chem 47: 5356-66 (2004) Article DOI: 10.1021/jm049657b BindingDB Entry DOI: 10.7270/Q2B857MB
					More data for this Ligand-Target Pair
Integrin alpha-L/beta-2 (Homo sapiens (Human))	BDBM50154488 ((R)-3-(4-Bromo-benzyl)-1-(3,5-dichloro-phenyl)-3-m...) Show SMILES C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2ncc(n12)S(=O)(=O)N1CCNCC1)c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C23H22BrCl2N5O3S/c1-23(13-15-2-4-16(24)5-3-15)21(32)30(19-11-17(25)10-18(26)12-19)22-28-14-20(31(22)23)35(33,34)29-8-6-27-7-9-29/h2-5,10-12,14,27H,6-9,13H2,1H3/t23-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Curated by ChEMBL					Assay Description Dissociation constant for human Lymphocyte function associated antigen 1 in LFA-1/ICAM-1 binding assay				J Med Chem 47: 5356-66 (2004) Article DOI: 10.1021/jm049657b BindingDB Entry DOI: 10.7270/Q2B857MB
					More data for this Ligand-Target Pair