BDBM50368556 CHEMBL4176145

SMILES: CN1CCN(Cc2cc(NC(=O)c3ccc(C4CC4)c(c3)C#Cc3cnc4cnccn34)cc(c2)C(F)(F)F)CC1

InChI Key: InChIKey=TYGZNGFFKJJPJQ-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 = 50368556   

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
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50368556 (CHEMBL4176145) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc(C4CC4)c(c3)C#Cc3cnc4cnccn34)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C31H29F3N6O/c1-38-10-12-39(13-11-38)20-21-14-25(31(32,33)34)17-26(15-21)37-30(41)24-5-7-28(22-2-3-22)23(16-24)4-6-27-18-36-29-19-35-8-9-40(27)29/h5,7-9,14-19,22H,2-3,10-13,20H2,1H3,(H,37,41)	PDB MMDB 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	40	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR2 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50368556 (CHEMBL4176145) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc(C4CC4)c(c3)C#Cc3cnc4cnccn34)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C31H29F3N6O/c1-38-10-12-39(13-11-38)20-21-14-25(31(32,33)34)17-26(15-21)37-30(41)24-5-7-28(22-2-3-22)23(16-24)4-6-27-18-36-29-19-35-8-9-40(27)29/h5,7-9,14-19,22H,2-3,10-13,20H2,1H3,(H,37,41)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of DDR1 (unknown origin) incubated for 1 hr using fluorescein-poly-GAT substrate by TR-FRET based LANCE ULTRA kinase assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50368556 (CHEMBL4176145) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc(C4CC4)c(c3)C#Cc3cnc4cnccn34)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C31H29F3N6O/c1-38-10-12-39(13-11-38)20-21-14-25(31(32,33)34)17-26(15-21)37-30(41)24-5-7-28(22-2-3-22)23(16-24)4-6-27-18-36-29-19-35-8-9-40(27)29/h5,7-9,14-19,22H,2-3,10-13,20H2,1H3,(H,37,41)	PDB MMDB 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	202	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of Abl1 (unknown origin) incubated for 1 hr in presence of Tyrosine-2 peptide substrate by FRET based Z'-Lyte assay				J Med Chem 61: 7977-7990 (2018) Article DOI: 10.1021/acs.jmedchem.8b01045 BindingDB Entry DOI: 10.7270/Q24Q7XHN
					More data for this Ligand-Target Pair