BDBM92165 erk000616

SMILES: COc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2ccccc2)c1OC

InChI Key: InChIKey=WMIRJEFBLIBQAJ-OAQYLSRUSA-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 = 92165   

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))	BDBM92165 (erk000616) Show SMILES COc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2ccccc2)c1OC Show InChI InChI=1S/C26H27N5O4/c1-16-13-28-26(30-19-10-7-11-22(34-2)24(19)35-3)31-23(16)18-12-20(27-14-18)25(33)29-21(15-32)17-8-5-4-6-9-17/h4-14,21,27,32H,15H2,1-3H3,(H,29,33)(H,28,30,31)/t21-/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	2	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))	BDBM92165 (erk000616) Show SMILES COc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2ccccc2)c1OC Show InChI InChI=1S/C26H27N5O4/c1-16-13-28-26(30-19-10-7-11-22(34-2)24(19)35-3)31-23(16)18-12-20(27-14-18)25(33)29-21(15-32)17-8-5-4-6-9-17/h4-14,21,27,32H,15H2,1-3H3,(H,29,33)(H,28,30,31)/t21-/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	2	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