BDBM50264730 CHEMBL4080362

SMILES: CNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(OCC2CCN(C)CC2)c(c1)C(F)(F)F

InChI Key: InChIKey=MQRBGJVORNPGNX-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 = 50264730   

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
RAF serine/threonine protein kinase (Homo sapiens (Human))	BDBM50264730 (CHEMBL4080362) Show SMILES CNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(OCC2CCN(C)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C31H35F3N6O3/c1-19-4-5-21(14-24(19)39-29(42)30(10-11-30)26-16-27(35-2)37-18-36-26)28(41)38-22-6-7-25(23(15-22)31(32,33)34)43-17-20-8-12-40(3)13-9-20/h4-7,14-16,18,20H,8-13,17H2,1-3H3,(H,38,41)(H,39,42)(H,35,36,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of ARAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...				Eur J Med Chem 130: 86-106 (2017) Article DOI: 10.1016/j.ejmech.2017.02.041 BindingDB Entry DOI: 10.7270/Q2DN47JG
					More data for this Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50264730 (CHEMBL4080362) Show SMILES CNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(OCC2CCN(C)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C31H35F3N6O3/c1-19-4-5-21(14-24(19)39-29(42)30(10-11-30)26-16-27(35-2)37-18-36-26)28(41)38-22-6-7-25(23(15-22)31(32,33)34)43-17-20-8-12-40(3)13-9-20/h4-7,14-16,18,20H,8-13,17H2,1-3H3,(H,38,41)(H,39,42)(H,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of CRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addition measu...				Eur J Med Chem 130: 86-106 (2017) Article DOI: 10.1016/j.ejmech.2017.02.041 BindingDB Entry DOI: 10.7270/Q2DN47JG
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf (Homo sapiens (Human))	BDBM50264730 (CHEMBL4080362) Show SMILES CNc1cc(ncn1)C1(CC1)C(=O)Nc1cc(ccc1C)C(=O)Nc1ccc(OCC2CCN(C)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C31H35F3N6O3/c1-19-4-5-21(14-24(19)39-29(42)30(10-11-30)26-16-27(35-2)37-18-36-26)28(41)38-22-6-7-25(23(15-22)31(32,33)34)43-17-20-8-12-40(3)13-9-20/h4-7,14-16,18,20H,8-13,17H2,1-3H3,(H,38,41)(H,39,42)(H,35,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of wild-type BRAF (unknown origin) using human His6-tagged MEK1 K97R mutant as substrate pretreated for 20 mins followed by [33P]-ATP addi...				Eur J Med Chem 130: 86-106 (2017) Article DOI: 10.1016/j.ejmech.2017.02.041 BindingDB Entry DOI: 10.7270/Q2DN47JG
					More data for this Ligand-Target Pair