BDBM92094 erk000522

SMILES: CC(C)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(C)c1

InChI Key: InChIKey=QWLPKXHYVMXWPL-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 = 92094   

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))	BDBM92094 (erk000522) Show SMILES CC(C)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(C)c1 Show InChI InChI=1S/C22H27N5O2/c1-13(2)25-22-24-10-15(4)20(27-22)17-9-18(23-11-17)21(29)26-19(12-28)16-7-5-6-14(3)8-16/h5-11,13,19,23,28H,12H2,1-4H3,(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	1	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))	BDBM92094 (erk000522) Show SMILES CC(C)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(C)c1 Show InChI InChI=1S/C22H27N5O2/c1-13(2)25-22-24-10-15(4)20(27-22)17-9-18(23-11-17)21(29)26-19(12-28)16-7-5-6-14(3)8-16/h5-11,13,19,23,28H,12H2,1-4H3,(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	1	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