BDBM92121 erk000557

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

InChI Key: InChIKey=XRUVUFGQWZAOKH-AZUAARDMSA-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 = 92121   

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))	BDBM92121 (erk000557) Show SMILES CC[C@@H](COC)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 Show InChI InChI=1S/C23H28ClN5O3/c1-4-18(13-32-3)27-23-26-10-14(2)21(29-23)16-9-19(25-11-16)22(31)28-20(12-30)15-6-5-7-17(24)8-15/h5-11,18,20,25,30H,4,12-13H2,1-3H3,(H,28,31)(H,26,27,29)/t18-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	D3R	4	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))	BDBM92121 (erk000557) Show SMILES CC[C@@H](COC)Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1 Show InChI InChI=1S/C23H28ClN5O3/c1-4-18(13-32-3)27-23-26-10-14(2)21(29-23)16-9-19(25-11-16)22(31)28-20(12-30)15-6-5-7-17(24)8-15/h5-11,18,20,25,30H,4,12-13H2,1-3H3,(H,28,31)(H,26,27,29)/t18-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	4	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