BDBM176676 US9115122, 2.3.2

SMILES: O=S(=O)(OC1CS(=O)(=O)C=C1)c1ccccc1

InChI Key: InChIKey=RFHUNIXPGHBTTE-UHFFFAOYSA-N

Data: 9 Kd

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 9 hits for monomerid = 176676   

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
Mitogen-activated protein kinase 1 (Mus musculus (Mouse))	BDBM176676 (US9115122, 2.3.2) Show SMILES O=S(=O)(OC1CS(=O)(=O)C=C1)c1ccccc1 |c:9| Show InChI InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
ERK2(L114A) (Mus musculus (mouse))	BDBM176676 (US9115122, 2.3.2) Show SMILES O=S(=O)(OC1CS(=O)(=O)C=C1)c1ccccc1 |c:9| Show InChI InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
ERK2(Y191A) (Mus musculus (mouse))	BDBM176676 (US9115122, 2.3.2) Show SMILES O=S(=O)(OC1CS(=O)(=O)C=C1)c1ccccc1 |c:9| Show InChI InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
ERK2(R275A) (Mus musculus (mouse))	BDBM176676 (US9115122, 2.3.2) Show SMILES O=S(=O)(OC1CS(=O)(=O)C=C1)c1ccccc1 |c:9| Show InChI InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
ERK2(L198A/L235A) (Mus musculus (mouse))	BDBM176676 (US9115122, 2.3.2) Show SMILES O=S(=O)(OC1CS(=O)(=O)C=C1)c1ccccc1 |c:9| Show InChI InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
ERK2(L232A) (Mus musculus (mouse))	BDBM176676 (US9115122, 2.3.2) Show SMILES O=S(=O)(OC1CS(=O)(=O)C=C1)c1ccccc1 |c:9| Show InChI InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
ERK2(L235A) (Mus musculus (mouse))	BDBM176676 (US9115122, 2.3.2) Show SMILES O=S(=O)(OC1CS(=O)(=O)C=C1)c1ccccc1 |c:9| Show InChI InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
ERK2(L198A/L232A) (Mus musculus (mouse))	BDBM176676 (US9115122, 2.3.2) Show SMILES O=S(=O)(OC1CS(=O)(=O)C=C1)c1ccccc1 |c:9| Show InChI InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair
ERK2(L265A) (Mus musculus (mouse))	BDBM176676 (US9115122, 2.3.2) Show SMILES O=S(=O)(OC1CS(=O)(=O)C=C1)c1ccccc1 |c:9| Show InChI InChI=1S/C10H10O5S2/c11-16(12)7-6-9(8-16)15-17(13,14)10-4-2-1-3-5-10/h1-7,9H,8H2	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a
UNIVERSITY OF MARYLAND, BALTIMORE US Patent					Assay Description CADD and biological testing to identify compounds that interact with novel ERK substrate docking sites. The known ERK2 docking sites include the DRS ...				US Patent US9115122 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JP7
					More data for this Ligand-Target Pair