BDBM51939 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(dimethylamino)propyl]-N-(4-ethoxy-1,3-benzothiazol-2-yl)benzamide;hydrochloride::MLS001239352::SMR000807819::cid_24892053

SMILES: CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1

InChI Key: InChIKey=GNDHJVSSCIKOCO-UHFFFAOYSA-N

Data: 3 IC50  4 EC50

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 7 hits for monomerid = 51939   

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 kinase kinase kinase 2 (Homo sapiens (Human))	BDBM51939 (4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...) Show SMILES CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C30H34N4O4S2/c1-4-38-26-11-7-12-27-28(26)31-30(39-27)34(19-8-18-32(2)3)29(35)23-13-15-25(16-14-23)40(36,37)33-20-17-22-9-5-6-10-24(22)21-33/h5-7,9-16H,4,8,17-21H2,1-3H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.21E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q25Q4THK
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2 (Homo sapiens (Human))	BDBM51939 (4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...) Show SMILES CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C30H34N4O4S2/c1-4-38-26-11-7-12-27-28(26)31-30(39-27)34(19-8-18-32(2)3)29(35)23-13-15-25(16-14-23)40(36,37)33-20-17-22-9-5-6-10-24(22)21-33/h5-7,9-16H,4,8,17-21H2,1-3H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a
NMMLSC Curated by PubChem BioAssay					Assay Description University of New Mexico Assay Overview: Assay Support: 1R03MH084830-01 Project Title: TR-FRET HTS Assay for Inhibitors of MEKK2-MEK5 PB1 Domain...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q21Z42TP
					More data for this Ligand-Target Pair
Angiotensin II receptor (Homo sapiens (Human))	BDBM51939 (4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...) Show SMILES CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C30H34N4O4S2/c1-4-38-26-11-7-12-27-28(26)31-30(39-27)34(19-8-18-32(2)3)29(35)23-13-15-25(16-14-23)40(36,37)33-20-17-22-9-5-6-10-24(22)21-33/h5-7,9-16H,4,8,17-21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2PR7TFT
					More data for this Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM51939 (4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...) Show SMILES CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C30H34N4O4S2/c1-4-38-26-11-7-12-27-28(26)31-30(39-27)34(19-8-18-32(2)3)29(35)23-13-15-25(16-14-23)40(36,37)33-20-17-22-9-5-6-10-24(22)21-33/h5-7,9-16H,4,8,17-21H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	8.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2X34VX0
					More data for this Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM51939 (4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...) Show SMILES CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C30H34N4O4S2/c1-4-38-26-11-7-12-27-28(26)31-30(39-27)34(19-8-18-32(2)3)29(35)23-13-15-25(16-14-23)40(36,37)33-20-17-22-9-5-6-10-24(22)21-33/h5-7,9-16H,4,8,17-21H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2SB4462
					More data for this Ligand-Target Pair
Bfl-1 (Mus musculus (Mouse))	BDBM51939 (4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...) Show SMILES CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C30H34N4O4S2/c1-4-38-26-11-7-12-27-28(26)31-30(39-27)34(19-8-18-32(2)3)29(35)23-13-15-25(16-14-23)40(36,37)33-20-17-22-9-5-6-10-24(22)21-33/h5-7,9-16H,4,8,17-21H2,1-3H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego CA...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25D8Q92
					More data for this Ligand-Target Pair
Apelin receptor (Homo sapiens (Human))	BDBM51939 (4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...) Show SMILES CCOc1cccc2sc(nc12)N(CCCN(C)C)C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1 Show InChI InChI=1S/C30H34N4O4S2/c1-4-38-26-11-7-12-27-28(26)31-30(39-27)34(19-8-18-32(2)3)29(35)23-13-15-25(16-14-23)40(36,37)33-20-17-22-9-5-6-10-24(22)21-33/h5-7,9-16H,4,8,17-21H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Burnham Center for Chemical Genomics Curated by PubChem BioAssay					Assay Description Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute(SBMRI, San Diego) Ne...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2NV9GP9
					More data for this Ligand-Target Pair