BDBM50227004 3-{4-[(benzo[1,3]dioxol-5-ylmethyl)-amino]-1-oxo-1H-1lambda4-[1,2,5]thiadiazol-3-ylamino}-2-hydroxy-N,N-dimethyl-benzamide::CHEMBL253104

SMILES: CN(C)C(=O)c1cccc(Nc2ns(=O)nc2NCc2ccc3OCOc3c2)c1O

InChI Key: InChIKey=KAXIIDNLQZLTRD-UHFFFAOYSA-N

Data: 2 KI

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 = 50227004   

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 chemokine receptor type 2 (Homo sapiens (Human))	BDBM50227004 (3-{4-[(benzo[1,3]dioxol-5-ylmethyl)-amino]-1-oxo-1...) Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2NCc2ccc3OCOc3c2)c1O Show InChI InChI=1S/C19H19N5O5S/c1-24(2)19(26)12-4-3-5-13(16(12)25)21-18-17(22-30(27)23-18)20-9-11-6-7-14-15(8-11)29-10-28-14/h3-8,25H,9-10H2,1-2H3,(H,20,22)(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to CXCR2				Bioorg Med Chem Lett 18: 228-31 (2008) Article DOI: 10.1016/j.bmcl.2007.10.094 BindingDB Entry DOI: 10.7270/Q25B027K
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 1 (Homo sapiens (Human))	BDBM50227004 (3-{4-[(benzo[1,3]dioxol-5-ylmethyl)-amino]-1-oxo-1...) Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2NCc2ccc3OCOc3c2)c1O Show InChI InChI=1S/C19H19N5O5S/c1-24(2)19(26)12-4-3-5-13(16(12)25)21-18-17(22-30(27)23-18)20-9-11-6-7-14-15(8-11)29-10-28-14/h3-8,25H,9-10H2,1-2H3,(H,20,22)(H,21,23)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to CXCR1				Bioorg Med Chem Lett 18: 228-31 (2008) Article DOI: 10.1016/j.bmcl.2007.10.094 BindingDB Entry DOI: 10.7270/Q25B027K
					More data for this Ligand-Target Pair