BDBM50462087 CHEMBL4243248

SMILES: [Cl-].CC[n+]1c(\C=C\C=C\N2CCCc3ccccc23)sc2ccc3ccccc3c12

InChI Key: InChIKey=IKYWHUQQPHNDJY-UHFFFAOYSA-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 = 50462087   

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 M/beta-2 (Homo sapiens (Human))	BDBM50462087 (CHEMBL4243248) Show SMILES [Cl-].CC[n+]1c(\C=C\C=C\N2CCCc3ccccc23)sc2ccc3ccccc3c12 Show InChI InChI=1S/C26H25N2S/c1-2-28-25(29-24-17-16-20-10-3-5-13-22(20)26(24)28)15-7-8-18-27-19-9-12-21-11-4-6-14-23(21)27/h3-8,10-11,13-18H,2,9,12,19H2,1H3/q+1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Antagonist activity at CR3 in carboxyfluorescein diacetate succiminidyl ester-labeled human PMN assessed as inhibition of TNF/PMA-stimulated adhesion...				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair
Integrin alpha M/beta-2 (Homo sapiens (Human))	BDBM50462087 (CHEMBL4243248) Show SMILES [Cl-].CC[n+]1c(\C=C\C=C\N2CCCc3ccccc23)sc2ccc3ccccc3c12 Show InChI InChI=1S/C26H25N2S/c1-2-28-25(29-24-17-16-20-10-3-5-13-22(20)26(24)28)15-7-8-18-27-19-9-12-21-11-4-6-14-23(21)27/h3-8,10-11,13-18H,2,9,12,19H2,1H3/q+1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of C3bi-AP binding to CR3 derived from human PMN				J Med Chem 61: 3253-3276 (2018) Article DOI: 10.1021/acs.jmedchem.7b00882 BindingDB Entry DOI: 10.7270/Q2MK6GJ9
					More data for this Ligand-Target Pair