BDBM249761 US9447038, 189

SMILES: COc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc(Cl)c(F)c2)ccc1SCCN1C(=O)CCC1=O

InChI Key: InChIKey=MZQYPJCDZAIFRC-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 249761   

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
C-X-C motif chemokine 10 (CXCL10) (Homo sapiens (Human))	BDBM249761 (US9447038, 189) Show SMILES COc1cc(CN(CC2CC2)C(CC(O)=O)c2ccc(Cl)c(F)c2)ccc1SCCN1C(=O)CCC1=O Show InChI InChI=1S/C27H30ClFN2O5S/c1-36-23-12-18(4-7-24(23)37-11-10-31-25(32)8-9-26(31)33)16-30(15-17-2-3-17)22(14-27(34)35)19-5-6-20(28)21(29)13-19/h4-7,12-13,17,22H,2-3,8-11,14-16H2,1H3,(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	25
Sanofi US Patent					Assay Description The composition of the binding assay buffer is determined in a course of detailed optimization procedure. This resulted in a binding assay buffer con...				US Patent US9447038 (2016) BindingDB Entry DOI: 10.7270/Q29G5KQK
					More data for this Ligand-Target Pair