BDBM50271218 CHEMBL3714987

SMILES: [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(OC(F)F)c1)C1COC1

InChI Key: InChIKey=LJZVBZVUEOZOCT-UOIKSKOESA-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 = 50271218   

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))	BDBM50271218 (CHEMBL3714987) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(OC(F)F)c1)C1COC1 |r| Show InChI InChI=1S/C20H25F2N5O2/c1-10(2)27-16(18-13-6-26(7-14(13)18)12-8-28-9-12)4-15(25-27)11-3-17(29-20(21)22)19(23)24-5-11/h3-5,10,12-14,18,20H,6-9H2,1-2H3,(H2,23,24)/t13-,14+,18+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	8	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))	BDBM50271218 (CHEMBL3714987) Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(OC(F)F)c1)C1COC1 |r| Show InChI InChI=1S/C20H25F2N5O2/c1-10(2)27-16(18-13-6-26(7-14(13)18)12-8-28-9-12)4-15(25-27)11-3-17(29-20(21)22)19(23)24-5-11/h3-5,10,12-14,18,20H,6-9H2,1-2H3,(H2,23,24)/t13-,14+,18+	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	328	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