BDBM49075 2-(allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3-thiophenecarbonitrile::2-(allylamino)-4-amino-5-pivaloyl-thiophene-3-carbonitrile::4-amino-5-(2,2-dimethyl-1-oxopropyl)-2-(prop-2-enylamino)-3-thiophenecarbonitrile::4-amino-5-(2,2-dimethylpropanoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile::4-azanyl-5-(2,2-dimethylpropanoyl)-2-(prop-2-enylamino)thiophene-3-carbonitrile::MLS000064448::SMR000078175::cid_2216908

SMILES: CC(C)(C)C(=O)c1sc(NCC=C)c(C#N)c1N

InChI Key: InChIKey=NGYSKLXEAGZCTO-UHFFFAOYSA-N

Data: 1 IC50  1 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 2 hits for monomerid = 49075   

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
Maternal embryonic leucine zipper kinase (Homo sapiens (Human))	BDBM49075 (2-(allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3...) Show SMILES CC(C)(C)C(=O)c1sc(NCC=C)c(C#N)c1N Show InChI InChI=1S/C13H17N3OS/c1-5-6-16-12-8(7-14)9(15)10(18-12)11(17)13(2,3)4/h5,16H,1,6,15H2,2-4H3	PDB KEGG B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Selvita S.A Curated by ChEMBL					Assay Description Inhibition of recombinant human MELK expressed in Escherichia coli using ZIPtide as substrate measured after 0.5 hrs by ADP-Glo assay				Bioorg Med Chem Lett 29: 607-613 (2019) Article DOI: 10.1016/j.bmcl.2018.12.051
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM49075 (2-(allylamino)-4-amino-5-(2,2-dimethylpropanoyl)-3...) Show SMILES CC(C)(C)C(=O)c1sc(NCC=C)c(C#N)c1N Show InChI InChI=1S/C13H17N3OS/c1-5-6-16-12-8(7-14)9(15)10(18-12)11(17)13(2,3)4/h5,16H,1,6,15H2,2-4H3	PDB KEGG DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	0.00114	n/a	n/a	n/a	n/a
Vanderbilt Screening Center for GPCRs, Ion Channels and Transporters Curated by PubChem BioAssay					Assay Description Assay Provider: Val Watts Assay Provider Affiliation: Purdue University Grant Title: Allosteric Modulators of D1 Receptors Grant Number: 1 X01 MH0776...				PubChem Bioassay (2007) BindingDB Entry DOI: 10.7270/Q2H41PVH
					More data for this Ligand-Target Pair