BDBM50248114 (R)-N-(2-cyanoethyl)-2-hydroxy-3-(4-(1-(4-isopropylfuran-2-yl)-2,2-dimethylpropylamino)-1,2,5-thiadiazol-3-ylamino)-N-methylbenzamide::CHEMBL462156

SMILES: CC(C)c1coc(c1)[C@H](Nc1nsnc1Nc1cccc(C(=O)N(C)CCC#N)c1O)C(C)(C)C

InChI Key: InChIKey=WYWJXUDCXPYMIQ-NRFANRHFSA-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 = 50248114   

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))	BDBM50248114 ((R)-N-(2-cyanoethyl)-2-hydroxy-3-(4-(1-(4-isopropy...) Show SMILES CC(C)c1coc(c1)[C@H](Nc1nsnc1Nc1cccc(C(=O)N(C)CCC#N)c1O)C(C)(C)C |r| Show InChI InChI=1S/C25H32N6O3S/c1-15(2)16-13-19(34-14-16)21(25(3,4)5)28-23-22(29-35-30-23)27-18-10-7-9-17(20(18)32)24(33)31(6)12-8-11-26/h7,9-10,13-15,21,32H,8,12H2,1-6H3,(H,27,29)(H,28,30)/t21-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	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))	BDBM50248114 ((R)-N-(2-cyanoethyl)-2-hydroxy-3-(4-(1-(4-isopropy...) Show SMILES CC(C)c1coc(c1)[C@H](Nc1nsnc1Nc1cccc(C(=O)N(C)CCC#N)c1O)C(C)(C)C |r| Show InChI InChI=1S/C25H32N6O3S/c1-15(2)16-13-19(34-14-16)21(25(3,4)5)28-23-22(29-35-30-23)27-18-10-7-9-17(20(18)32)24(33)31(6)12-8-11-26/h7,9-10,13-15,21,32H,8,12H2,1-6H3,(H,27,29)(H,28,30)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	79	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