BDBM50123580 CHEMBL3622208

SMILES: [H][C@@]1(CNC(=O)C1)[C@@H](C)Oc1nc(cc2ncsc12)-c1ccc(OC)c(OC)c1

InChI Key: InChIKey=OTUKQYFHRKKGEI-DGCLKSJQSA-N

Data: 3 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50123580   

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
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50123580 (CHEMBL3622208) Show SMILES [H][C@@]1(CNC(=O)C1)[C@@H](C)Oc1nc(cc2ncsc12)-c1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C20H21N3O4S/c1-11(13-7-18(24)21-9-13)27-20-19-15(22-10-28-19)8-14(23-20)12-4-5-16(25-2)17(6-12)26-3/h4-6,8,10-11,13H,7,9H2,1-3H3,(H,21,24)/t11-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of Syk (unknown origin) using 5-Fluo-Ahx-GAPDYENLQELNKK-Amide as substrate after 60 mins by microfluidic mobility shift assay				Bioorg Med Chem Lett 25: 4642-7 (2015) BindingDB Entry DOI: 10.7270/Q2XD13HG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50123580 (CHEMBL3622208) Show SMILES [H][C@@]1(CNC(=O)C1)[C@@H](C)Oc1nc(cc2ncsc12)-c1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C20H21N3O4S/c1-11(13-7-18(24)21-9-13)27-20-19-15(22-10-28-19)8-14(23-20)12-4-5-16(25-2)17(6-12)26-3/h4-6,8,10-11,13H,7,9H2,1-3H3,(H,21,24)/t11-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of Syk in anti-igM stimulated human Ramos B cells assessed as phospho-BLNK level preincubated for 30 mins followed by anti-IgM stimulation...				Bioorg Med Chem Lett 25: 4642-7 (2015) BindingDB Entry DOI: 10.7270/Q2XD13HG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK (Homo sapiens (Human))	BDBM50123580 (CHEMBL3622208) Show SMILES [H][C@@]1(CNC(=O)C1)[C@@H](C)Oc1nc(cc2ncsc12)-c1ccc(OC)c(OC)c1 |r| Show InChI InChI=1S/C20H21N3O4S/c1-11(13-7-18(24)21-9-13)27-20-19-15(22-10-28-19)8-14(23-20)12-4-5-16(25-2)17(6-12)26-3/h4-6,8,10-11,13H,7,9H2,1-3H3,(H,21,24)/t11-,13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	517	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for Biomedical Research Curated by ChEMBL					Assay Description Inhibition of Syk in anti-CD32 stimulated CD14+ human monocytes in presence of 90% human blood assessed as phospho-SLP76 level preincubated for 30 mi...				Bioorg Med Chem Lett 25: 4642-7 (2015) BindingDB Entry DOI: 10.7270/Q2XD13HG
					More data for this Ligand-Target Pair				3D Structure (crystal)