BDBM50368551 CHEMBL4167877

SMILES: CCc1ccc(cc1C#Cc1cnc(C)n1C)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F

InChI Key: InChIKey=YYIDVDRESUYFKM-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 = 50368551   

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
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50368551 (CHEMBL4167877) Show SMILES CCc1ccc(cc1C#Cc1cnc(C)n1C)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H32F3N5O/c1-5-22-6-7-24(16-23(22)8-9-27-18-33-20(2)36(27)4)28(38)34-26-15-21(14-25(17-26)29(30,31)32)19-37-12-10-35(3)11-13-37/h6-7,14-18H,5,10-13,19H2,1-4H3,(H,34,38)	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	97	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
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50368551 (CHEMBL4167877) Show SMILES CCc1ccc(cc1C#Cc1cnc(C)n1C)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H32F3N5O/c1-5-22-6-7-24(16-23(22)8-9-27-18-33-20(2)36(27)4)28(38)34-26-15-21(14-25(17-26)29(30,31)32)19-37-12-10-35(3)11-13-37/h6-7,14-18H,5,10-13,19H2,1-4H3,(H,34,38)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90	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
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50368551 (CHEMBL4167877) Show SMILES CCc1ccc(cc1C#Cc1cnc(C)n1C)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C29H32F3N5O/c1-5-22-6-7-24(16-23(22)8-9-27-18-33-20(2)36(27)4)28(38)34-26-15-21(14-25(17-26)29(30,31)32)19-37-12-10-35(3)11-13-37/h6-7,14-18H,5,10-13,19H2,1-4H3,(H,34,38)	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	34	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