BDBM50226994 2-hydroxy-N,N-dimethyl-3-(4-{[(R)-(1-methyl-cyclopropyl)-(5-methyl-furan-2-yl)-methyl]-amino}-1,1-dioxo-1H-1lambda6-[1,2,5]thiadiazol-3-ylamino)-benzamide::CHEMBL253702

SMILES: CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc(C)o2)C2(C)CC2)c1O

InChI Key: InChIKey=ILVQGPFDBAOPEN-KRWDZBQOSA-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 = 50226994   

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))	BDBM50226994 (2-hydroxy-N,N-dimethyl-3-(4-{[(R)-(1-methyl-cyclop...) Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc(C)o2)C2(C)CC2)c1O |w:10.9,c:16| Show InChI InChI=1S/C21H25N5O5S/c1-12-8-9-15(31-12)17(21(2)10-11-21)23-19-18(24-32(29,30)25-19)22-14-7-5-6-13(16(14)27)20(28)26(3)4/h5-9,17,27H,10-11H2,1-4H3,(H,22,24)(H,23,25)/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	184	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))	BDBM50226994 (2-hydroxy-N,N-dimethyl-3-(4-{[(R)-(1-methyl-cyclop...) Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc(C)o2)C2(C)CC2)c1O |w:10.9,c:16| Show InChI InChI=1S/C21H25N5O5S/c1-12-8-9-15(31-12)17(21(2)10-11-21)23-19-18(24-32(29,30)25-19)22-14-7-5-6-13(16(14)27)20(28)26(3)4/h5-9,17,27H,10-11H2,1-4H3,(H,22,24)(H,23,25)/t17-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10E+3	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