BDBM50509522 CHEMBL4467377

SMILES: COc1cncc(CNc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)c1

InChI Key: InChIKey=ITMMHAMHNWGMLK-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50509522   

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
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50509522 (CHEMBL4467377) Show SMILES COc1cncc(CNc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C22H20F3N3O2/c1-14-6-7-16(9-20(14)27-12-15-8-19(30-2)13-26-11-15)21(29)28-18-5-3-4-17(10-18)22(23,24)25/h3-11,13,27H,12H2,1-2H3,(H,28,29)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of kinase tracer 178 binding to recombinant human His-tagged DDR1 expressed in baculovirus infected Sf9 cells incubated for 1 hr by TR-FRE...				ACS Med Chem Lett 11: 29-33 (2020) Article DOI: 10.1021/acsmedchemlett.9b00382
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50509522 (CHEMBL4467377) Show SMILES COc1cncc(CNc2cc(ccc2C)C(=O)Nc2cccc(c2)C(F)(F)F)c1 Show InChI InChI=1S/C22H20F3N3O2/c1-14-6-7-16(9-20(14)27-12-15-8-19(30-2)13-26-11-15)21(29)28-18-5-3-4-17(10-18)22(23,24)25/h3-11,13,27H,12H2,1-2H3,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University Curated by ChEMBL					Assay Description Inhibition of kinase tracer 178 binding to recombinant human His-tagged DDR2 expressed in baculovirus infected Sf9 cells incubated for 1 hr by TR-FRE...				ACS Med Chem Lett 11: 29-33 (2020) Article DOI: 10.1021/acsmedchemlett.9b00382
					More data for this Ligand-Target Pair