BDBM50432468 CHEMBL2349319

SMILES: CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2cccc(c2)S(C)(=O)=O)nc2nc(N)sc12

InChI Key: InChIKey=ZJTOCCMPRIUOGK-GXTWGEPZSA-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 = 50432468   

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))	BDBM50432468 (CHEMBL2349319) Show SMILES CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2cccc(c2)S(C)(=O)=O)nc2nc(N)sc12 |r| Show InChI InChI=1S/C20H27N5O3S3/c1-11(2)8-14(10-26)22-17-16-18(23-19(21)30-16)25-20(24-17)29-12(3)13-6-5-7-15(9-13)31(4,27)28/h5-7,9,11-12,14,26H,8,10H2,1-4H3,(H3,21,22,23,24,25)/t12-,14+/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28	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))	BDBM50432468 (CHEMBL2349319) Show SMILES CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2cccc(c2)S(C)(=O)=O)nc2nc(N)sc12 |r| Show InChI InChI=1S/C20H27N5O3S3/c1-11(2)8-14(10-26)22-17-16-18(23-19(21)30-16)25-20(24-17)29-12(3)13-6-5-7-15(9-13)31(4,27)28/h5-7,9,11-12,14,26H,8,10H2,1-4H3,(H3,21,22,23,24,25)/t12-,14+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+5	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