BDBM50529792 CHEMBL4535889

SMILES: Cc1cc(NC(=O)Nc2cc(nn2-c2cccc(c2)C#N)C(C)(C)C)ccc1-c1cnc(NC2CC2)c2nccn12

InChI Key: InChIKey=HUFPFCSZVXOFRZ-UHFFFAOYSA-N

Data: 2 IC50

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 = 50529792   

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 7 interacting protein 1 (Homo sapiens (Human))	BDBM50529792 (CHEMBL4535889) Show SMILES Cc1cc(NC(=O)Nc2cc(nn2-c2cccc(c2)C#N)C(C)(C)C)ccc1-c1cnc(NC2CC2)c2nccn12 Show InChI InChI=1S/C31H31N9O/c1-19-14-22(10-11-24(19)25-18-34-28(35-21-8-9-21)29-33-12-13-39(25)29)36-30(41)37-27-16-26(31(2,3)4)38-40(27)23-7-5-6-20(15-23)17-32/h5-7,10-16,18,21H,8-9H2,1-4H3,(H,34,35)(H2,36,37,41)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Chung-Ang University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human TAK1 (1 to 303 amino acids)/human TAB1 (437 to 504 amino acids) expressed in baculovirus expression system ...				Eur J Med Chem 163: 660-670 (2019) Article DOI: 10.1016/j.ejmech.2018.12.025
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7 interacting protein 1 (Homo sapiens (Human))	BDBM50529792 (CHEMBL4535889) Show SMILES Cc1cc(NC(=O)Nc2cc(nn2-c2cccc(c2)C#N)C(C)(C)C)ccc1-c1cnc(NC2CC2)c2nccn12 Show InChI InChI=1S/C31H31N9O/c1-19-14-22(10-11-24(19)25-18-34-28(35-21-8-9-21)29-33-12-13-39(25)29)36-30(41)37-27-16-26(31(2,3)4)38-40(27)23-7-5-6-20(15-23)17-32/h5-7,10-16,18,21H,8-9H2,1-4H3,(H,34,35)(H2,36,37,41)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Chung-Ang University Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human TAK1 (1 to 303 amino acids)/human TAB1 (437 to 504 amino acids) expressed in baculovirus expression system ...				Eur J Med Chem 163: 660-670 (2019) Article DOI: 10.1016/j.ejmech.2018.12.025
					More data for this Ligand-Target Pair