BDBM50112354 CHEMBL472940

SMILES: Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12

InChI Key: InChIKey=RFAXLXKIAKIUDT-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50112354   

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
Serine/threonine-protein kinase PAK6 (Homo sapiens (Human))	BDBM50112354 (CHEMBL472940) Show SMILES Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12 Show InChI InChI=1S/C20H14O2S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-24-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of full length human PAK6 assessed as phosphate incorporation onto MBP preincubated for 5 mins followed by Cdc42, MBP, and mixture of ATP ...				ACS Med Chem Lett 6: 776-81 (2015) BindingDB Entry DOI: 10.7270/Q25X2BQS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK7 (Homo sapiens (Human))	BDBM50112354 (CHEMBL472940) Show SMILES Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12 Show InChI InChI=1S/C20H14O2S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-24-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of full length PAK5 (unknown origin) expressed in HEK293 cells assessed as phosphate incorporation onto MBP preincubated for 5 mins follow...				ACS Med Chem Lett 6: 776-81 (2015) BindingDB Entry DOI: 10.7270/Q25X2BQS
					More data for this Ligand-Target Pair
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50112354 (CHEMBL472940) Show SMILES Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12 Show InChI InChI=1S/C20H14O2S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-24-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
PAK Research Center Curated by ChEMBL					Assay Description Inhibition of PAK1 (unknown origin)				Eur J Med Chem 142: 229-243 (2017) Article DOI: 10.1016/j.ejmech.2017.07.043 BindingDB Entry DOI: 10.7270/Q21J9DG3
					More data for this Ligand-Target Pair
PAK 1/CDC42 (Homo sapiens (Human))	BDBM50112354 (CHEMBL472940) Show SMILES Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12 Show InChI InChI=1S/C20H14O2S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-24-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Non-ATP competitive inhibition of full-length human PAK1 assessed as phosphate incorporation onto MBP preincubated for 5 mins followed by Cdc42, MBP,...				ACS Med Chem Lett 6: 776-81 (2015) BindingDB Entry DOI: 10.7270/Q25X2BQS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase PAK 4 (Homo sapiens (Human))	BDBM50112354 (CHEMBL472940) Show SMILES Oc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12 Show InChI InChI=1S/C20H14O2S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-24-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PAK4 kinase domain (300 to 591) (unknown origin) assessed as phosphate incorporation onto MBP preincubated for 5 mins followed by Cdc42...				ACS Med Chem Lett 6: 776-81 (2015) BindingDB Entry DOI: 10.7270/Q25X2BQS
					More data for this Ligand-Target Pair