BDBM50446305 CHEMBL3109356

SMILES: COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(O[C@@H]3CCNC[C@@H]3F)c2n1

InChI Key: InChIKey=PPPOUAQYRUUFNJ-GHTZIAJQSA-N

Data: 8 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 8 hits for monomerid = 50446305   

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
Platelet-derived growth factor receptor beta (Mus musculus (mouse))	BDBM50446305 (CHEMBL3109356) Show SMILES COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(O[C@@H]3CCNC[C@@H]3F)c2n1 |r| Show InChI InChI=1S/C24H25FN4O3/c1-30-11-12-31-17-8-10-29-20(15-27-23(29)13-17)19-6-5-16-3-2-4-22(24(16)28-19)32-21-7-9-26-14-18(21)25/h2-6,8,10,13,15,18,21,26H,7,9,11-12,14H2,1H3/t18-,21+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of PDGF-induced PDGFRbeta phosphorylation in mouse NIH3T3 cells incubated for 1 hr prior to PDGF induction measured after 15 mins by fluor...				ACS Med Chem Lett 5: 78-83 (2014) Article DOI: 10.1021/ml4003953 BindingDB Entry DOI: 10.7270/Q23N24VQ
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50446305 (CHEMBL3109356) Show SMILES COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(O[C@@H]3CCNC[C@@H]3F)c2n1 |r| Show InChI InChI=1S/C24H25FN4O3/c1-30-11-12-31-17-8-10-29-20(15-27-23(29)13-17)19-6-5-16-3-2-4-22(24(16)28-19)32-21-7-9-26-14-18(21)25/h2-6,8,10,13,15,18,21,26H,7,9,11-12,14H2,1H3/t18-,21+/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.88E+3	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				ACS Med Chem Lett 5: 78-83 (2014) Article DOI: 10.1021/ml4003953 BindingDB Entry DOI: 10.7270/Q23N24VQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50446305 (CHEMBL3109356) Show SMILES COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(O[C@@H]3CCNC[C@@H]3F)c2n1 |r| Show InChI InChI=1S/C24H25FN4O3/c1-30-11-12-31-17-8-10-29-20(15-27-23(29)13-17)19-6-5-16-3-2-4-22(24(16)28-19)32-21-7-9-26-14-18(21)25/h2-6,8,10,13,15,18,21,26H,7,9,11-12,14H2,1H3/t18-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				ACS Med Chem Lett 5: 78-83 (2014) Article DOI: 10.1021/ml4003953 BindingDB Entry DOI: 10.7270/Q23N24VQ
					More data for this Ligand-Target Pair
Platelet-derived growth factor receptor beta (Mus musculus (mouse))	BDBM50446305 (CHEMBL3109356) Show SMILES COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(O[C@@H]3CCNC[C@@H]3F)c2n1 |r| Show InChI InChI=1S/C24H25FN4O3/c1-30-11-12-31-17-8-10-29-20(15-27-23(29)13-17)19-6-5-16-3-2-4-22(24(16)28-19)32-21-7-9-26-14-18(21)25/h2-6,8,10,13,15,18,21,26H,7,9,11-12,14H2,1H3/t18-,21+/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of PDGF-induced PDGFRbeta phosphorylation in mouse NIH3T3 cells incubated for 1 hr prior to PDGF induction measured after 15 mins by fluor...				ACS Med Chem Lett 5: 78-83 (2014) Article DOI: 10.1021/ml4003953 BindingDB Entry DOI: 10.7270/Q23N24VQ
					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50446305 (CHEMBL3109356) Show SMILES COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(O[C@@H]3CCNC[C@@H]3F)c2n1 |r| Show InChI InChI=1S/C24H25FN4O3/c1-30-11-12-31-17-8-10-29-20(15-27-23(29)13-17)19-6-5-16-3-2-4-22(24(16)28-19)32-21-7-9-26-14-18(21)25/h2-6,8,10,13,15,18,21,26H,7,9,11-12,14H2,1H3/t18-,21+/m0/s1	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of CYP1A2 (unknown origin)				ACS Med Chem Lett 5: 78-83 (2014) Article DOI: 10.1021/ml4003953 BindingDB Entry DOI: 10.7270/Q23N24VQ
					More data for this Ligand-Target Pair
Macrophage colony stimulating factor receptor (Homo sapiens (Human))	BDBM50446305 (CHEMBL3109356) Show SMILES COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(O[C@@H]3CCNC[C@@H]3F)c2n1 |r| Show InChI InChI=1S/C24H25FN4O3/c1-30-11-12-31-17-8-10-29-20(15-27-23(29)13-17)19-6-5-16-3-2-4-22(24(16)28-19)32-21-7-9-26-14-18(21)25/h2-6,8,10,13,15,18,21,26H,7,9,11-12,14H2,1H3/t18-,21+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	282	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of cFMS (unknown origin)				ACS Med Chem Lett 5: 78-83 (2014) Article DOI: 10.1021/ml4003953 BindingDB Entry DOI: 10.7270/Q23N24VQ
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50446305 (CHEMBL3109356) Show SMILES COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(O[C@@H]3CCNC[C@@H]3F)c2n1 |r| Show InChI InChI=1S/C24H25FN4O3/c1-30-11-12-31-17-8-10-29-20(15-27-23(29)13-17)19-6-5-16-3-2-4-22(24(16)28-19)32-21-7-9-26-14-18(21)25/h2-6,8,10,13,15,18,21,26H,7,9,11-12,14H2,1H3/t18-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of FLT3 (unknown origin)				ACS Med Chem Lett 5: 78-83 (2014) Article DOI: 10.1021/ml4003953 BindingDB Entry DOI: 10.7270/Q23N24VQ
					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50446305 (CHEMBL3109356) Show SMILES COCCOc1ccn2c(cnc2c1)-c1ccc2cccc(O[C@@H]3CCNC[C@@H]3F)c2n1 |r| Show InChI InChI=1S/C24H25FN4O3/c1-30-11-12-31-17-8-10-29-20(15-27-23(29)13-17)19-6-5-16-3-2-4-22(24(16)28-19)32-21-7-9-26-14-18(21)25/h2-6,8,10,13,15,18,21,26H,7,9,11-12,14H2,1H3/t18-,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				ACS Med Chem Lett 5: 78-83 (2014) Article DOI: 10.1021/ml4003953 BindingDB Entry DOI: 10.7270/Q23N24VQ
					More data for this Ligand-Target Pair