BDBM50272893 1-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl)phenyl)-3-(3-methoxyphenyl)urea::CHEMBL456350

SMILES: CCn1cc(c(n1)-c1cccc(NC(=O)Nc2cccc(OC)c2)c1)-c1ccnc2[nH]ccc12

InChI Key: InChIKey=IMXOZHDOGFUUPQ-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 50272893   

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
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50272893 (1-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H...) Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)Nc2cccc(OC)c2)c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C26H24N6O2/c1-3-32-16-23(21-10-12-27-25-22(21)11-13-28-25)24(31-32)17-6-4-7-18(14-17)29-26(33)30-19-8-5-9-20(15-19)34-2/h4-16H,3H2,1-2H3,(H,27,28)(H2,29,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of B-Raf by fluorescence anisotropy binding assay				Bioorg Med Chem Lett 18: 4610-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.019 BindingDB Entry DOI: 10.7270/Q21N821S
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50272893 (1-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H...) Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)Nc2cccc(OC)c2)c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C26H24N6O2/c1-3-32-16-23(21-10-12-27-25-22(21)11-13-28-25)24(31-32)17-6-4-7-18(14-17)29-26(33)30-19-8-5-9-20(15-19)34-2/h4-16H,3H2,1-2H3,(H,27,28)(H2,29,30,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2D6				Bioorg Med Chem Lett 18: 4610-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.019 BindingDB Entry DOI: 10.7270/Q21N821S
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50272893 (1-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H...) Show SMILES CCn1cc(c(n1)-c1cccc(NC(=O)Nc2cccc(OC)c2)c1)-c1ccnc2[nH]ccc12 Show InChI InChI=1S/C26H24N6O2/c1-3-32-16-23(21-10-12-27-25-22(21)11-13-28-25)24(31-32)17-6-4-7-18(14-17)29-26(33)30-19-8-5-9-20(15-19)34-2/h4-16H,3H2,1-2H3,(H,27,28)(H2,29,30,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP2C9				Bioorg Med Chem Lett 18: 4610-4 (2008) Article DOI: 10.1016/j.bmcl.2008.07.019 BindingDB Entry DOI: 10.7270/Q21N821S
					More data for this Ligand-Target Pair