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BDBM50193395 ALTIRATINIB::Altiratinib::DCC-2701::DP-5164

SMILES: Fc1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)C4CC4)c3)cc2F)cc1

InChI Key: InChIKey=GNNDEPIMDAZHRQ-UHFFFAOYSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50193395   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50193395
PNG
(ALTIRATINIB | Altiratinib | DCC-2701 | DP-5164)
Show SMILES Fc1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)C4CC4)c3)cc2F)cc1
Show InChI InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of TrkB (unknown origin)


J Med Chem 59: 8712-8756 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00472
BindingDB Entry DOI: 10.7270/Q29G5PR8
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50193395
PNG
(ALTIRATINIB | Altiratinib | DCC-2701 | DP-5164)
Show SMILES Fc1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)C4CC4)c3)cc2F)cc1
Show InChI InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of MET (unknown origin)


J Med Chem 59: 8712-8756 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00472
BindingDB Entry DOI: 10.7270/Q29G5PR8
More data for this
Ligand-Target Pair
NT-3 growth factor receptor


(Homo sapiens (Human))
BDBM50193395
PNG
(ALTIRATINIB | Altiratinib | DCC-2701 | DP-5164)
Show SMILES Fc1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)C4CC4)c3)cc2F)cc1
Show InChI InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.830n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of TrkC (unknown origin)


J Med Chem 59: 8712-8756 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00472
BindingDB Entry DOI: 10.7270/Q29G5PR8
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (human))
BDBM50193395
PNG
(ALTIRATINIB | Altiratinib | DCC-2701 | DP-5164)
Show SMILES Fc1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)C4CC4)c3)cc2F)cc1
Show InChI InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of TIE-2 (unknown origin)


J Med Chem 59: 8712-8756 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00472
BindingDB Entry DOI: 10.7270/Q29G5PR8
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo Sapiens)
BDBM50193395
PNG
(ALTIRATINIB | Altiratinib | DCC-2701 | DP-5164)
Show SMILES Fc1ccc(NC(=O)C2(CC2)C(=O)Nc2cc(F)c(Oc3ccnc(NC(=O)C4CC4)c3)cc2F)cc1
Show InChI InChI=1S/C26H21F3N4O4/c27-15-3-5-16(6-4-15)31-24(35)26(8-9-26)25(36)32-20-12-19(29)21(13-18(20)28)37-17-7-10-30-22(11-17)33-23(34)14-1-2-14/h3-7,10-14H,1-2,8-9H2,(H,31,35)(H,32,36)(H,30,33,34)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.850n/an/an/an/an/an/a



St. John's University

Curated by ChEMBL


Assay Description
Inhibition of TrkA (unknown origin)


J Med Chem 59: 8712-8756 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00472
BindingDB Entry DOI: 10.7270/Q29G5PR8
More data for this
Ligand-Target Pair