BDBM50271241 CHEMBL3718912

SMILES: CC(C)n1nc(cc1C1CCN(CC1)C1COC1)-c1cnc2[nH]cc(C)c2c1

InChI Key: InChIKey=UCRVLYHHVJBOJV-UHFFFAOYSA-N

Data: 1 KI  1 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 = 50271241   

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 12 (Homo sapiens (Human))	BDBM50271241 (CHEMBL3718912) Show SMILES CC(C)n1nc(cc1C1CCN(CC1)C1COC1)-c1cnc2[nH]cc(C)c2c1 Show InChI InChI=1S/C22H29N5O/c1-14(2)27-21(16-4-6-26(7-5-16)18-12-28-13-18)9-20(25-27)17-8-19-15(3)10-23-22(19)24-11-17/h8-11,14,16,18H,4-7,12-13H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4...				J Med Chem 60: 8083-8102 (2017) Article DOI: 10.1021/acs.jmedchem.7b00843 BindingDB Entry DOI: 10.7270/Q2639S7K
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12 (Homo sapiens (Human))	BDBM50271241 (CHEMBL3718912) Show SMILES CC(C)n1nc(cc1C1CCN(CC1)C1COC1)-c1cnc2[nH]cc(C)c2c1 Show InChI InChI=1S/C22H29N5O/c1-14(2)27-21(16-4-6-26(7-5-16)18-12-28-13-18)9-20(25-27)17-8-19-15(3)10-23-22(19)24-11-17/h8-11,14,16,18H,4-7,12-13H2,1-3H3,(H,23,24)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	303	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec Co., Ltd. Curated by ChEMBL					Assay Description Inhibition of doxycycline inducible human DLK transfected in HEK293 cells assessed as JNK phosphorylation after 5.5 hrs by Hoechst-33342 staining-bas...				J Med Chem 60: 8083-8102 (2017) Article DOI: 10.1021/acs.jmedchem.7b00843 BindingDB Entry DOI: 10.7270/Q2639S7K
					More data for this Ligand-Target Pair