BDBM50248590 (R)-3-(4-(1-(3,5-difluorophenyl)propylamino)-1,2,5-thiadiazol-3-ylamino)-2-hydroxy-N,N-dimethylbenzamide::CHEMBL461816

SMILES: CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(F)cc(F)c1

InChI Key: InChIKey=VYNNVKYGDFKCFE-OAHLLOKOSA-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 = 50248590   

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))	BDBM50248590 ((R)-3-(4-(1-(3,5-difluorophenyl)propylamino)-1,2,5...) Show SMILES CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C20H21F2N5O2S/c1-4-15(11-8-12(21)10-13(22)9-11)23-18-19(26-30-25-18)24-16-7-5-6-14(17(16)28)20(29)27(2)3/h5-10,15,28H,4H2,1-3H3,(H,23,25)(H,24,26)/t15-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	20	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))	BDBM50248590 ((R)-3-(4-(1-(3,5-difluorophenyl)propylamino)-1,2,5...) Show SMILES CC[C@@H](Nc1nsnc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C20H21F2N5O2S/c1-4-15(11-8-12(21)10-13(22)9-11)23-18-19(26-30-25-18)24-16-7-5-6-14(17(16)28)20(29)27(2)3/h5-10,15,28H,4H2,1-3H3,(H,23,25)(H,24,26)/t15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.10E+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 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