BDBM50432439 CHEMBL2349322

SMILES: CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2Br)nc2nc(N)sc12

InChI Key: InChIKey=VJDGYTGVFWCGJT-GFCCVEGCSA-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 = 50432439   

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-X3-C chemokine receptor 1 (Homo sapiens (Human))	BDBM50432439 (CHEMBL2349322) Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2Br)nc2nc(N)sc12 |r| Show InChI InChI=1S/C18H22BrN5OS2/c1-10(2)7-12(8-25)21-15-14-16(22-17(20)27-14)24-18(23-15)26-9-11-5-3-4-6-13(11)19/h3-6,10,12,25H,7-9H2,1-2H3,(H3,20,21,22,23,24)/t12-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis				J Med Chem 56: 3177-90 (2013) Article DOI: 10.1021/jm3012273 BindingDB Entry DOI: 10.7270/Q2ST7R7X
					More data for this Ligand-Target Pair
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50432439 (CHEMBL2349322) Show SMILES CC(C)C[C@H](CO)Nc1nc(SCc2ccccc2Br)nc2nc(N)sc12 |r| Show InChI InChI=1S/C18H22BrN5OS2/c1-10(2)7-12(8-25)21-15-14-16(22-17(20)27-14)24-18(23-15)26-9-11-5-3-4-6-13(11)19/h3-6,10,12,25H,7-9H2,1-2H3,(H3,20,21,22,23,24)/t12-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Displacement of [125I]-IL8 from human CXCR2 transfected in HEK293 cells after 4 hrs by microbeta counting analysis				J Med Chem 56: 3177-90 (2013) Article DOI: 10.1021/jm3012273 BindingDB Entry DOI: 10.7270/Q2ST7R7X
					More data for this Ligand-Target Pair