BDBM50247949 (R)-3-(4-(1-(3-fluorophenyl)-2,2-dimethylpropylamino)-1,2,5-thiadiazol-3-ylamino)-2-hydroxy-N,N-dimethylbenzamide::CHEMBL490689

SMILES: CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2cccc(F)c2)C(C)(C)C)c1O

InChI Key: InChIKey=WEFKYMFEHYSMKG-SFHVURJKSA-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 = 50247949   

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 1 (Homo sapiens (Human))	BDBM50247949 ((R)-3-(4-(1-(3-fluorophenyl)-2,2-dimethylpropylami...) Show SMILES CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2cccc(F)c2)C(C)(C)C)c1O |r| Show InChI InChI=1S/C22H26FN5O2S/c1-22(2,3)18(13-8-6-9-14(23)12-13)25-20-19(26-31-27-20)24-16-11-7-10-15(17(16)29)21(30)28(4)5/h6-12,18,29H,1-5H3,(H,24,26)(H,25,27)/t18-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	78	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 Displacement of IL8 from CXCR1 receptor (unknown origin)				Bioorg Med Chem Lett 19: 1434-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.027 BindingDB Entry DOI: 10.7270/Q2833RW1
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50247949 ((R)-3-(4-(1-(3-fluorophenyl)-2,2-dimethylpropylami...) Show SMILES CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2cccc(F)c2)C(C)(C)C)c1O |r| Show InChI InChI=1S/C22H26FN5O2S/c1-22(2,3)18(13-8-6-9-14(23)12-13)25-20-19(26-31-27-20)24-16-11-7-10-15(17(16)29)21(30)28(4)5/h6-12,18,29H,1-5H3,(H,24,26)(H,25,27)/t18-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+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 Displacement of IL8 from CXCR2 receptor (unknown origin)				Bioorg Med Chem Lett 19: 1434-7 (2009) Article DOI: 10.1016/j.bmcl.2009.01.027 BindingDB Entry DOI: 10.7270/Q2833RW1
					More data for this Ligand-Target Pair