BDBM50371769 CHEMBL402986

SMILES: C[C@H](CO)Nc1[nH]c(SCc2ccccc2)nc2nc(=O)sc12

InChI Key: InChIKey=ZZAOLDVNKJEEFU-SECBINFHSA-N

Data: 1 KI  2 IC50

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 3 hits for monomerid = 50371769   

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))	BDBM50371769 (CHEMBL402986) Show SMILES C[C@H](CO)Nc1[nH]c(SCc2ccccc2)nc2nc(=O)sc12 Show InChI InChI=1S/C15H16N4O2S2/c1-9(7-20)16-12-11-13(19-15(21)23-11)18-14(17-12)22-8-10-5-3-2-4-6-10/h2-6,9,20H,7-8H2,1H3,(H2,16,17,18,19,21)/t9-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90E+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))	BDBM50371769 (CHEMBL402986) Show SMILES C[C@H](CO)Nc1[nH]c(SCc2ccccc2)nc2nc(=O)sc12 Show InChI InChI=1S/C15H16N4O2S2/c1-9(7-20)16-12-11-13(19-15(21)23-11)18-14(17-12)22-8-10-5-3-2-4-6-10/h2-6,9,20H,7-8H2,1H3,(H2,16,17,18,19,21)/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	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
C-X-C chemokine receptor type 2 (Homo sapiens (Human))	BDBM50371769 (CHEMBL402986) Show SMILES C[C@H](CO)Nc1[nH]c(SCc2ccccc2)nc2nc(=O)sc12 Show InChI InChI=1S/C15H16N4O2S2/c1-9(7-20)16-12-11-13(19-15(21)23-11)18-14(17-12)22-8-10-5-3-2-4-6-10/h2-6,9,20H,7-8H2,1H3,(H2,16,17,18,19,21)/t9-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Charnwood Curated by ChEMBL					Assay Description Displacement of [125I]IL8 from human recombinant CXCR2 expressed in HEK293 cells by SPA assay				Bioorg Med Chem Lett 18: 798-803 (2008) BindingDB Entry DOI: 10.7270/Q28053GH
					More data for this Ligand-Target Pair