BDBM50227003 3-[4-((R)-1-benzo[1,3]dioxol-5-yl-2,2-dimethyl-propylamino)-1,1-dioxo-1H-1lambda6-[1,2,5]thiadiazol-3-ylamino]-2-hydroxy-N,N-dimethyl-benzamide::CHEMBL253495

SMILES: CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc3OCOc3c2)C(C)(C)C)c1O

InChI Key: InChIKey=XZECPGNWHKHNIN-IBGZPJMESA-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 = 50227003   

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))	BDBM50227003 (3-[4-((R)-1-benzo[1,3]dioxol-5-yl-2,2-dimethyl-pro...) Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc3OCOc3c2)C(C)(C)C)c1O |w:10.9,c:16| Show InChI InChI=1S/C23H27N5O6S/c1-23(2,3)19(13-9-10-16-17(11-13)34-12-33-16)25-21-20(26-35(31,32)27-21)24-15-8-6-7-14(18(15)29)22(30)28(4)5/h6-11,19,29H,12H2,1-5H3,(H,24,26)(H,25,27)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.70	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))	BDBM50227003 (3-[4-((R)-1-benzo[1,3]dioxol-5-yl-2,2-dimethyl-pro...) Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc3OCOc3c2)C(C)(C)C)c1O |w:10.9,c:16| Show InChI InChI=1S/C23H27N5O6S/c1-23(2,3)19(13-9-10-16-17(11-13)34-12-33-16)25-21-20(26-35(31,32)27-21)24-15-8-6-7-14(18(15)29)22(30)28(4)5/h6-11,19,29H,12H2,1-5H3,(H,24,26)(H,25,27)/t19-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	46	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