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SMILES: COCCNc1cc(NC(=O)N2CCCc3cc(C4CCN(CC4)C4COC4)c(C=O)nc23)ncc1C#N

InChI Key: InChIKey=CFHKNWFGGBERAE-UHFFFAOYSA-N

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 = 209391   
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
Fibroblast growth factor receptor 4 [388-802]


(Homo sapiens (Human))		BDBM209391
PNG
(US9266883, 266)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(C4CCN(CC4)C4COC4)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C27H33N7O4/c1-37-10-6-29-23-12-25(30-14-20(23)13-28)32-27(36)34-7-2-3-19-11-22(24(15-35)31-26(19)34)18-4-8-33(9-5-18)21-16-38-17-21/h11-12,14-15,18,21H,2-10,16-17H2,1H3,(H2,29,30,32,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.20n/an/an/an/a7.530



Novartis AG

US Patent


Assay Description
Liquid handling and incubation steps were done on an Innovadyne Nanodrop Express equipped with a robotic arm (Thermo CatX, Caliper Twister II) and an...

US Patent US9266883 (2016)


BindingDB Entry DOI: 10.7270/Q2CC0ZGP
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Homo sapiens (Human))		BDBM209391
PNG
(US9266883, 266)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(C4CCN(CC4)C4COC4)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C27H33N7O4/c1-37-10-6-29-23-12-25(30-14-20(23)13-28)32-27(36)34-7-2-3-19-11-22(24(15-35)31-26(19)34)18-4-8-33(9-5-18)21-16-38-17-21/h11-12,14-15,18,21H,2-10,16-17H2,1H3,(H2,29,30,32,36)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 8.20n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 4


(Mus musculus)		BDBM209391
PNG
(US9266883, 266)
Show SMILES COCCNc1cc(NC(=O)N2CCCc3cc(C4CCN(CC4)C4COC4)c(C=O)nc23)ncc1C#N
Show InChI InChI=1S/C27H33N7O4/c1-37-10-6-29-23-12-25(30-14-20(23)13-28)32-27(36)34-7-2-3-19-11-22(24(15-35)31-26(19)34)18-4-8-33(9-5-18)21-16-38-17-21/h11-12,14-15,18,21H,2-10,16-17H2,1H3,(H2,29,30,32,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 23n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair