SMILES String Search

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 265.3
BDBM50119286

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 8 hits in this display
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Serine/threonine-protein kinase D1 (Homo sapiens (Human))	BDBM50119286 (3-Methoxy-7,8-dihydro-6H-5,10-dithia-8-aza-benzo[a...) Show SMILES COc1ccc2sc3c(SCCNC3=O)c2c1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	82.5	n/a	n/a	n/a	n/a	7.5	30
University of Pittsburgh					Assay Description In vitro radiometric kinase assay were conducted using PKD1 from Biomol International, PKD2 from SignalChem and PKD3 Enzo Life Sciences.				BMC Chem Biol 10: 5 (2010) Article DOI: 10.1186/1472-6769-10-5 BindingDB Entry DOI: 10.7270/Q2VQ315D
University of Pittsburgh					More data for this Ligand-Target Pair
Serine/threonine-protein kinase D1 (Homo sapiens (Human))	BDBM50119286 (3-Methoxy-7,8-dihydro-6H-5,10-dithia-8-aza-benzo[a...) Show SMILES COc1ccc2sc3c(SCCNC3=O)c2c1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	82.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of human recombinant PKD1 after 10 mins by radiometric assay				ACS Med Chem Lett 2: 154-159 (2012) Article DOI: 10.1021/ml100230n BindingDB Entry DOI: 10.7270/Q29G5NTR
University of Pittsburgh Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase D3 (Homo sapiens (Human))	BDBM50119286 (3-Methoxy-7,8-dihydro-6H-5,10-dithia-8-aza-benzo[a...) Show SMILES COc1ccc2sc3c(SCCNC3=O)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	98.5	n/a	n/a	n/a	n/a	7.5	30
University of Pittsburgh					Assay Description In vitro radiometric kinase assay were conducted using PKD1 from Biomol International, PKD2 from SignalChem and PKD3 Enzo Life Sciences.				BMC Chem Biol 10: 5 (2010) Article DOI: 10.1186/1472-6769-10-5 BindingDB Entry DOI: 10.7270/Q2VQ315D
University of Pittsburgh					More data for this Ligand-Target Pair
Serine/threonine-protein kinase D2 (Homo sapiens (Human))	BDBM50119286 (3-Methoxy-7,8-dihydro-6H-5,10-dithia-8-aza-benzo[a...) Show SMILES COc1ccc2sc3c(SCCNC3=O)c2c1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	7.5	30
University of Pittsburgh					Assay Description In vitro radiometric kinase assay were conducted using PKD1 from Biomol International, PKD2 from SignalChem and PKD3 Enzo Life Sciences.				BMC Chem Biol 10: 5 (2010) Article DOI: 10.1186/1472-6769-10-5 BindingDB Entry DOI: 10.7270/Q2VQ315D
University of Pittsburgh					More data for this Ligand-Target Pair
Cyclin-dependent kinase 1 (Homo sapiens (Human))	BDBM50119286 (3-Methoxy-7,8-dihydro-6H-5,10-dithia-8-aza-benzo[a...) Show SMILES COc1ccc2sc3c(SCCNC3=O)c2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of CDK2				Bioorg Med Chem Lett 19: 4878-81 (2009) Article DOI: 10.1016/j.bmcl.2009.02.015 BindingDB Entry DOI: 10.7270/Q28K795K
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50119286 (3-Methoxy-7,8-dihydro-6H-5,10-dithia-8-aza-benzo[a...) Show SMILES COc1ccc2sc3c(SCCNC3=O)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of MK2				Bioorg Med Chem Lett 19: 4878-81 (2009) Article DOI: 10.1016/j.bmcl.2009.02.015 BindingDB Entry DOI: 10.7270/Q28K795K
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase D1 (Homo sapiens (Human))	BDBM50119286 (3-Methoxy-7,8-dihydro-6H-5,10-dithia-8-aza-benzo[a...) Show SMILES COc1ccc2sc3c(SCCNC3=O)c2c1 Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Inhibition of PKD1 autophosphorylation at Ser916 in human PMA-induced LNCAP cells by Western blotting				ACS Med Chem Lett 2: 154-159 (2012) Article DOI: 10.1021/ml100230n BindingDB Entry DOI: 10.7270/Q29G5NTR
University of Pittsburgh Curated by ChEMBL					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM50119286 (3-Methoxy-7,8-dihydro-6H-5,10-dithia-8-aza-benzo[a...) Show SMILES COc1ccc2sc3c(SCCNC3=O)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Inhibition of MK2 in human U937 cells assessed as blockade of LPS-stimulated TNFalpha production				Bioorg Med Chem Lett 19: 4878-81 (2009) Article DOI: 10.1016/j.bmcl.2009.02.015 BindingDB Entry DOI: 10.7270/Q28K795K
Pfizer Global Research and Development Curated by ChEMBL					More data for this Ligand-Target Pair