BDBM50368455 CHEMBL4175086

SMILES: CCc1ccc(cc1C#Cc1cnc2cnccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F

InChI Key: InChIKey=KQOYBUCRLZDLBE-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 = 50368455   

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))	BDBM50368455 (CHEMBL4175086) Show SMILES CCc1ccc(cc1C#Cc1cnc2cnccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C30H29F3N6O/c1-3-22-4-5-24(16-23(22)6-7-27-18-35-28-19-34-8-9-39(27)28)29(40)36-26-15-21(14-25(17-26)30(31,32)33)20-38-12-10-37(2)11-13-38/h4-5,8-9,14-19H,3,10-13,20H2,1-2H3,(H,36,40)	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	7	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))	BDBM50368455 (CHEMBL4175086) Show SMILES CCc1ccc(cc1C#Cc1cnc2cnccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C30H29F3N6O/c1-3-22-4-5-24(16-23(22)6-7-27-18-35-28-19-34-8-9-39(27)28)29(40)36-26-15-21(14-25(17-26)30(31,32)33)20-38-12-10-37(2)11-13-38/h4-5,8-9,14-19H,3,10-13,20H2,1-2H3,(H,36,40)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	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))	BDBM50368455 (CHEMBL4175086) Show SMILES CCc1ccc(cc1C#Cc1cnc2cnccn12)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C30H29F3N6O/c1-3-22-4-5-24(16-23(22)6-7-27-18-35-28-19-34-8-9-39(27)28)29(40)36-26-15-21(14-25(17-26)30(31,32)33)20-38-12-10-37(2)11-13-38/h4-5,8-9,14-19H,3,10-13,20H2,1-2H3,(H,36,40)	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	9.40	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