BDBM51882 2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzoate::4-[[(Z)-2-cyano-2-[4-(3,4-dimethoxyphenyl)-2-thiazolyl]ethenyl]amino]benzoic acid 2-(diethylamino)ethyl ester::4-[[(Z)-2-cyano-2-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]vinyl]amino]benzoic acid 2-(diethylamino)ethyl ester::4-{(Z)-2-Cyano-2-[4-(3,4-dimethoxy-phenyl)-thiazol-2-yl]-vinylamino}-benzoic acid 2-diethylamino-ethyl ester::MLS000769345::SMR000434079::cid_16682517

SMILES: CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1

InChI Key: InChIKey=QOQKMEFETTXDDQ-UHFFFAOYSA-N

Data: 11 IC50  2 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 13 hits for monomerid = 51882   

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))	BDBM51882 (2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(3,4-di...) Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16| Show InChI InChI=1S/C27H30N4O4S/c1-5-31(6-2)13-14-35-27(32)19-7-10-22(11-8-19)29-17-21(16-28)26-30-23(18-36-26)20-9-12-24(33-3)25(15-20)34-4/h7-12,15,17-18,21H,5-6,13-14H2,1-4H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+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))	BDBM51882 (2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(3,4-di...) Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16| Show InChI InChI=1S/C27H30N4O4S/c1-5-31(6-2)13-14-35-27(32)19-7-10-22(11-8-19)29-17-21(16-28)26-30-23(18-36-26)20-9-12-24(33-3)25(15-20)34-4/h7-12,15,17-18,21H,5-6,13-14H2,1-4H3	MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.00E+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
ubiquitin-conjugating enzyme E2I (Homo sapiens (Human))	BDBM51882 (2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(3,4-di...) Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16| Show InChI InChI=1S/C27H30N4O4S/c1-5-31(6-2)13-14-35-27(32)19-7-10-22(11-8-19)29-17-21(16-28)26-30-23(18-36-26)20-9-12-24(33-3)25(15-20)34-4/h7-12,15,17-18,21H,5-6,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	7.12E+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, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2V986G8
					More data for this Ligand-Target Pair
plectin 1 (Homo sapiens (Human))	BDBM51882 (2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(3,4-di...) Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16| Show InChI InChI=1S/C27H30N4O4S/c1-5-31(6-2)13-14-35-27(32)19-7-10-22(11-8-19)29-17-21(16-28)26-30-23(18-36-26)20-9-12-24(33-3)25(15-20)34-4/h7-12,15,17-18,21H,5-6,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.25E+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, C...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2QZ28D7
					More data for this Ligand-Target Pair
SUMO1 activating enzyme subunit 1 (Homo sapiens (Human))	BDBM51882 (2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(3,4-di...) Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16| Show InChI InChI=1S/C27H30N4O4S/c1-5-31(6-2)13-14-35-27(32)19-7-10-22(11-8-19)29-17-21(16-28)26-30-23(18-36-26)20-9-12-24(33-3)25(15-20)34-4/h7-12,15,17-18,21H,5-6,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	1.17E+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, C...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2BP0175
					More data for this Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM51882 (2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(3,4-di...) Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16| Show InChI InChI=1S/C27H30N4O4S/c1-5-31(6-2)13-14-35-27(32)19-7-10-22(11-8-19)29-17-21(16-28)26-30-23(18-36-26)20-9-12-24(33-3)25(15-20)34-4/h7-12,15,17-18,21H,5-6,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.76E+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
26S Proteasome regulatory subunit Rpn11 (Rpn11) (Homo sapiens (Human))	BDBM51882 (2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(3,4-di...) Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16| Show InChI InChI=1S/C27H30N4O4S/c1-5-31(6-2)13-14-35-27(32)19-7-10-22(11-8-19)29-17-21(16-28)26-30-23(18-36-26)20-9-12-24(33-3)25(15-20)34-4/h7-12,15,17-18,21H,5-6,13-14H2,1-4H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.32E+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, La Jolla, CA...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2PC30Z9
					More data for this Ligand-Target Pair
ubiquitin-conjugating enzyme E2 N (Homo sapiens (Human))	BDBM51882 (2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(3,4-di...) Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16| Show InChI InChI=1S/C27H30N4O4S/c1-5-31(6-2)13-14-35-27(32)19-7-10-22(11-8-19)29-17-21(16-28)26-30-23(18-36-26)20-9-12-24(33-3)25(15-20)34-4/h7-12,15,17-18,21H,5-6,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.02E+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
Caspase-9 (Homo sapiens (Human))	BDBM51882 (2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(3,4-di...) Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16| Show InChI InChI=1S/C27H30N4O4S/c1-5-31(6-2)13-14-35-27(32)19-7-10-22(11-8-19)29-17-21(16-28)26-30-23(18-36-26)20-9-12-24(33-3)25(15-20)34-4/h7-12,15,17-18,21H,5-6,13-14H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q25M647F
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM51882 (2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(3,4-di...) Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16| Show InChI InChI=1S/C27H30N4O4S/c1-5-31(6-2)13-14-35-27(32)19-7-10-22(11-8-19)29-17-21(16-28)26-30-23(18-36-26)20-9-12-24(33-3)25(15-20)34-4/h7-12,15,17-18,21H,5-6,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	4.09E+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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2JS9NZB
					More data for this Ligand-Target Pair
Apoptotic peptidase activating factor 1 (Homo sapiens (Human))	BDBM51882 (2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(3,4-di...) Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16| Show InChI InChI=1S/C27H30N4O4S/c1-5-31(6-2)13-14-35-27(32)19-7-10-22(11-8-19)29-17-21(16-28)26-30-23(18-36-26)20-9-12-24(33-3)25(15-20)34-4/h7-12,15,17-18,21H,5-6,13-14H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>1.00E+5	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 (SBIMR, San Diego, C...				PubChem Bioassay (2011) BindingDB Entry DOI: 10.7270/Q2F18X8S
					More data for this Ligand-Target Pair
Thrombin (Bos taurus (Bovine))	BDBM51882 (2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(3,4-di...) Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16| Show InChI InChI=1S/C27H30N4O4S/c1-5-31(6-2)13-14-35-27(32)19-7-10-22(11-8-19)29-17-21(16-28)26-30-23(18-36-26)20-9-12-24(33-3)25(15-20)34-4/h7-12,15,17-18,21H,5-6,13-14H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.87E+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, La Jolla, CA...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2JM286J
					More data for this Ligand-Target Pair
Bfl-1 (Mus musculus (Mouse))	BDBM51882 (2-(diethylamino)ethyl 4-[[(Z)-2-cyano-2-[4-(3,4-di...) Show SMILES CCN(CC)CCOC(=O)c1ccc(cc1)N=CC(C#N)c1nc(cs1)-c1ccc(OC)c(OC)c1 |w:16.16| Show InChI InChI=1S/C27H30N4O4S/c1-5-31(6-2)13-14-35-27(32)19-7-10-22(11-8-19)29-17-21(16-28)26-30-23(18-36-26)20-9-12-24(33-3)25(15-20)34-4/h7-12,15,17-18,21H,5-6,13-14H2,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.44E+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/Q25D8Q92
					More data for this Ligand-Target Pair