BDBM50260024 CHEMBL4095191::US10370360, Example 3

SMILES: CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cncnc3)cc(c2)C(F)(F)F)CC1

InChI Key: InChIKey=HDTCSYZQKDPDHW-UHFFFAOYSA-N

Data: 11 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 11 hits for monomerid = 50260024   

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
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50260024 (CHEMBL4095191 | US10370360, Example 3) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cncnc3)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N6O/c1-34-6-8-35(9-7-34)16-19-10-23(27(28,29)30)13-24(11-19)33-26(37)21-3-2-20-4-5-36(17-22(20)12-21)25-14-31-18-32-15-25/h2-3,10-15,18H,4-9,16-17H2,1H3,(H,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of recombinant human His-tagged c-kit cytoplasmic domain (544 to 976 residues) expressed in baculovirus expression system using Ser/Thr 6 ...				ACS Med Chem Lett 8: 327-332 (2017) Article DOI: 10.1021/acsmedchemlett.6b00497 BindingDB Entry DOI: 10.7270/Q2N0190M
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (Homo sapiens (Human))	BDBM50260024 (CHEMBL4095191 | US10370360, Example 3) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cncnc3)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N6O/c1-34-6-8-35(9-7-34)16-19-10-23(27(28,29)30)13-24(11-19)33-26(37)21-3-2-20-4-5-36(17-22(20)12-21)25-14-31-18-32-15-25/h2-3,10-15,18H,4-9,16-17H2,1H3,(H,33,37)	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	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of recombinant human GST-tagged DDR2 cytoplasmic domain expressed in baculovirus expression system using Fluorescein-Poly GAT as substrate...				ACS Med Chem Lett 8: 327-332 (2017) Article DOI: 10.1021/acsmedchemlett.6b00497 BindingDB Entry DOI: 10.7270/Q2N0190M
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (DDR1) (Homo sapiens (Human))	BDBM50260024 (CHEMBL4095191 | US10370360, Example 3) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cncnc3)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N6O/c1-34-6-8-35(9-7-34)16-19-10-23(27(28,29)30)13-24(11-19)33-26(37)21-3-2-20-4-5-36(17-22(20)12-21)25-14-31-18-32-15-25/h2-3,10-15,18H,4-9,16-17H2,1H3,(H,33,37)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	442	n/a	n/a	n/a	n/a	n/a	n/a
The Board of Regents of the University of Texas System US Patent					Assay Description The effects of compounds on the kinases DDR1 and DDR2 were assessed by using a Lantha Screen Eu kinase activity assay technology (Invitrogen, USA). K...				US Patent US10370360 (2019) BindingDB Entry DOI: 10.7270/Q2BP054G
					More data for this Ligand-Target Pair
Discoidin domain-containing receptor 2 (DDR2) (Homo sapiens (Human))	BDBM50260024 (CHEMBL4095191 | US10370360, Example 3) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cncnc3)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N6O/c1-34-6-8-35(9-7-34)16-19-10-23(27(28,29)30)13-24(11-19)33-26(37)21-3-2-20-4-5-36(17-22(20)12-21)25-14-31-18-32-15-25/h2-3,10-15,18H,4-9,16-17H2,1H3,(H,33,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Board of Regents of the University of Texas System US Patent					Assay Description The effects of compounds on the kinases DDR1 and DDR2 were assessed by using a Lantha Screen Eu kinase activity assay technology (Invitrogen, USA). K...				US Patent US10370360 (2019) BindingDB Entry DOI: 10.7270/Q2BP054G
					More data for this Ligand-Target Pair
Bcr-Abl (Homo sapiens (Human))	BDBM50260024 (CHEMBL4095191 | US10370360, Example 3) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cncnc3)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N6O/c1-34-6-8-35(9-7-34)16-19-10-23(27(28,29)30)13-24(11-19)33-26(37)21-3-2-20-4-5-36(17-22(20)12-21)25-14-31-18-32-15-25/h2-3,10-15,18H,4-9,16-17H2,1H3,(H,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	664	n/a	n/a	n/a	n/a	n/a	n/a
The Board of Regents of the University of Texas System US Patent					Assay Description The effects of compounds on the kinases DDR1 and DDR2 were assessed by using a Lantha Screen Eu kinase activity assay technology (Invitrogen, USA). K...				US Patent US10370360 (2019) BindingDB Entry DOI: 10.7270/Q2BP054G
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50260024 (CHEMBL4095191 | US10370360, Example 3) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cncnc3)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N6O/c1-34-6-8-35(9-7-34)16-19-10-23(27(28,29)30)13-24(11-19)33-26(37)21-3-2-20-4-5-36(17-22(20)12-21)25-14-31-18-32-15-25/h2-3,10-15,18H,4-9,16-17H2,1H3,(H,33,37)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				J Med Chem 59: 5911-6 (2016) Article DOI: 10.1021/acs.jmedchem.6b00140
					More data for this Ligand-Target Pair
Bcr-Abl (Homo sapiens (Human))	BDBM50260024 (CHEMBL4095191 | US10370360, Example 3) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cncnc3)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N6O/c1-34-6-8-35(9-7-34)16-19-10-23(27(28,29)30)13-24(11-19)33-26(37)21-3-2-20-4-5-36(17-22(20)12-21)25-14-31-18-32-15-25/h2-3,10-15,18H,4-9,16-17H2,1H3,(H,33,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jinan University Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His-tagged Bcr-Abl fusion protein cytoplasmic domain expressed in baculovirus expression system using tyr...				ACS Med Chem Lett 8: 327-332 (2017) Article DOI: 10.1021/acsmedchemlett.6b00497 BindingDB Entry DOI: 10.7270/Q2N0190M
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50260024 (CHEMBL4095191 | US10370360, Example 3) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cncnc3)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N6O/c1-34-6-8-35(9-7-34)16-19-10-23(27(28,29)30)13-24(11-19)33-26(37)21-3-2-20-4-5-36(17-22(20)12-21)25-14-31-18-32-15-25/h2-3,10-15,18H,4-9,16-17H2,1H3,(H,33,37)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	442	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged DDR1 (440 to 876 residues) expressed in baculovirus infected Sf9 insect cells using fluorescein-poly GAT a...				J Med Chem 59: 5911-6 (2016) Article DOI: 10.1021/acs.jmedchem.6b00140
					More data for this Ligand-Target Pair
Epithelial discoidin domain-containing receptor 1 (Homo sapiens (Human))	BDBM50260024 (CHEMBL4095191 | US10370360, Example 3) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cncnc3)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N6O/c1-34-6-8-35(9-7-34)16-19-10-23(27(28,29)30)13-24(11-19)33-26(37)21-3-2-20-4-5-36(17-22(20)12-21)25-14-31-18-32-15-25/h2-3,10-15,18H,4-9,16-17H2,1H3,(H,33,37)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	442	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged DDR1 (440 to 876 residues) expressed in baculovirus infected Sf9 insect cells using fluorescein-poly GAT a...				J Med Chem 59: 5911-6 (2016) Article DOI: 10.1021/acs.jmedchem.6b00140
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM50260024 (CHEMBL4095191 | US10370360, Example 3) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cncnc3)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N6O/c1-34-6-8-35(9-7-34)16-19-10-23(27(28,29)30)13-24(11-19)33-26(37)21-3-2-20-4-5-36(17-22(20)12-21)25-14-31-18-32-15-25/h2-3,10-15,18H,4-9,16-17H2,1H3,(H,33,37)	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	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human full length recombinant His-tagged ABL1 expressed in baculovirus infected Sf9 insect cells using tyrosine 2 peptide as substrate ...				J Med Chem 59: 5911-6 (2016) Article DOI: 10.1021/acs.jmedchem.6b00140
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM50260024 (CHEMBL4095191 | US10370360, Example 3) Show SMILES CN1CCN(Cc2cc(NC(=O)c3ccc4CCN(Cc4c3)c3cncnc3)cc(c2)C(F)(F)F)CC1 Show InChI InChI=1S/C27H29F3N6O/c1-34-6-8-35(9-7-34)16-19-10-23(27(28,29)30)13-24(11-19)33-26(37)21-3-2-20-4-5-36(17-22(20)12-21)25-14-31-18-32-15-25/h2-3,10-15,18H,4-9,16-17H2,1H3,(H,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The Board of Regents of the University of Texas System US Patent					Assay Description The effects of compounds on the kinases DDR1 and DDR2 were assessed by using a Lantha Screen Eu kinase activity assay technology (Invitrogen, USA). K...				US Patent US10370360 (2019) BindingDB Entry DOI: 10.7270/Q2BP054G
					More data for this Ligand-Target Pair