BDBM30178 Pyrrolopyridine, 9

SMILES: O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccccc1

InChI Key: InChIKey=NNQMSHWOTYMSDC-UHFFFAOYSA-N

Data: 6 IC50

PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

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 6 hits for monomerid = 30178   

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
MAP kinase-activated protein kinase 2 (Homo sapiens (Human))	BDBM30178 (Pyrrolopyridine, 9) Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccccc1 Show InChI InChI=1S/C18H15N3O/c22-18-14-11-17(21-15(14)7-9-20-18)13-6-8-19-16(10-13)12-4-2-1-3-5-12/h1-6,8,10-11,21H,7,9H2,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	7.5	30
Pfizer					Assay Description The phosphorylation of HSP27 peptide by MAPKAPK2 was measured using an anion exchange resin capture assay method. The reaction was carried out in rea...				J Med Chem 50: 2647-54 (2007) Article DOI: 10.1021/jm0611004 BindingDB Entry DOI: 10.7270/Q2794313
					More data for this Ligand-Target Pair				3D Structure (docked)
MAP kinase-activated protein kinase 3 (Homo sapiens (Human))	BDBM30178 (Pyrrolopyridine, 9) Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccccc1 Show InChI InChI=1S/C18H15N3O/c22-18-14-11-17(21-15(14)7-9-20-18)13-6-8-19-16(10-13)12-4-2-1-3-5-12/h1-6,8,10-11,21H,7,9H2,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	660	n/a	n/a	n/a	n/a	7.5	30
Pfizer					Assay Description Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...				J Med Chem 50: 2647-54 (2007) Article DOI: 10.1021/jm0611004 BindingDB Entry DOI: 10.7270/Q2794313
					More data for this Ligand-Target Pair				3D Structure (docked)
Ribosomal protein S6 kinase alpha 4 (Homo sapiens (Human))	BDBM30178 (Pyrrolopyridine, 9) Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccccc1 Show InChI InChI=1S/C18H15N3O/c22-18-14-11-17(21-15(14)7-9-20-18)13-6-8-19-16(10-13)12-4-2-1-3-5-12/h1-6,8,10-11,21H,7,9H2,(H,20,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.48E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...				J Med Chem 50: 2647-54 (2007) Article DOI: 10.1021/jm0611004 BindingDB Entry DOI: 10.7270/Q2794313
					More data for this Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (Homo sapiens (Human))	BDBM30178 (Pyrrolopyridine, 9) Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccccc1 Show InChI InChI=1S/C18H15N3O/c22-18-14-11-17(21-15(14)7-9-20-18)13-6-8-19-16(10-13)12-4-2-1-3-5-12/h1-6,8,10-11,21H,7,9H2,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...				J Med Chem 50: 2647-54 (2007) Article DOI: 10.1021/jm0611004 BindingDB Entry DOI: 10.7270/Q2794313
					More data for this Ligand-Target Pair
Ribosomal protein S6 kinase alpha 5 (Homo sapiens (Human))	BDBM30178 (Pyrrolopyridine, 9) Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccccc1 Show InChI InChI=1S/C18H15N3O/c22-18-14-11-17(21-15(14)7-9-20-18)13-6-8-19-16(10-13)12-4-2-1-3-5-12/h1-6,8,10-11,21H,7,9H2,(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.46E+5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...				J Med Chem 50: 2647-54 (2007) Article DOI: 10.1021/jm0611004 BindingDB Entry DOI: 10.7270/Q2794313
					More data for this Ligand-Target Pair
MAP kinase-activated protein kinase 5 (Homo sapiens (Human))	BDBM30178 (Pyrrolopyridine, 9) Show SMILES O=C1NCCc2[nH]c(cc12)-c1ccnc(c1)-c1ccccc1 Show InChI InChI=1S/C18H15N3O/c22-18-14-11-17(21-15(14)7-9-20-18)13-6-8-19-16(10-13)12-4-2-1-3-5-12/h1-6,8,10-11,21H,7,9H2,(H,20,22)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	7.5	30
Pfizer					Assay Description Compounds were evaluated as inhibitors of kinase by measuring their effect on kinase induced phosphorylation of substrate. IC50 values were reported ...				J Med Chem 50: 2647-54 (2007) Article DOI: 10.1021/jm0611004 BindingDB Entry DOI: 10.7270/Q2794313
					More data for this Ligand-Target Pair