BDBM92042 erk000448

SMILES: CC(C)CNc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1

InChI Key: InChIKey=QMTGEHVGTSSLLW-LJQANCHMSA-N

Data: 2 KI

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 = 92042   

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 1 (Homo sapiens (Human))	BDBM92042 (erk000448) Show SMILES CC(C)CNc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 Show InChI InChI=1S/C22H27N5O2/c1-14(2)10-24-22-25-11-15(3)20(27-22)17-9-18(23-12-17)21(29)26-19(13-28)16-7-5-4-6-8-16/h4-9,11-12,14,19,23,28H,10,13H2,1-3H3,(H,26,29)(H,24,25,27)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	D3R	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description Photometric_Method2				D3R 222: (2015) BindingDB Entry DOI: 10.7270/Q2S46QSD
					More data for this Ligand-Target Pair
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM92042 (erk000448) Show SMILES CC(C)CNc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1 Show InChI InChI=1S/C22H27N5O2/c1-14(2)10-24-22-25-11-15(3)20(27-22)17-9-18(23-12-17)21(29)26-19(13-28)16-7-5-4-6-8-16/h4-9,11-12,14,19,23,28H,10,13H2,1-3H3,(H,26,29)(H,24,25,27)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CSAR					Assay Description Assay 1 ...				CSAR 1: (2012)
					More data for this Ligand-Target Pair