BDBM221074 SPHINX31::US9695160, 12::US9796707, Compound 12

SMILES: FC(F)(F)c1ccc(N2CCN(Cc3ccccn3)CC2)c(NC(=O)c2ccc(o2)-c2ccncc2)c1

InChI Key: InChIKey=VURLRACCOCGFDB-UHFFFAOYSA-N

Data: 5 IC50  1 ITC

PDB links: 1 PDB ID matches this monomer.

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 5 hits for monomerid = 221074   

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
Serine/threonine-protein kinase SRPK1 (Homo sapiens (Human))	BDBM221074 (SPHINX31 | US9695160, 12 | US9796707, Compound 12) Show SMILES FC(F)(F)c1ccc(N2CCN(Cc3ccccn3)CC2)c(NC(=O)c2ccc(o2)-c2ccncc2)c1 Show InChI InChI=1S/C27H24F3N5O2/c28-27(29,30)20-4-5-23(35-15-13-34(14-16-35)18-21-3-1-2-10-32-21)22(17-20)33-26(36)25-7-6-24(37-25)19-8-11-31-12-9-19/h1-12,17H,13-16,18H2,(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	7.5	30
Exonate Ltd					Assay Description A reaction buffer containing 200 mM Tris pH 7.5, 100 mM MgCl2 and 0.1 mg/ml BSA was added to 43 μM SRSF1Arg-Ser (RS) peptide (NH2-RSPSYGRSRSRSRS...				ACS Chem Biol 12: 825-832 (2017) Article DOI: 10.1021/acschembio.6b01048 BindingDB Entry DOI: 10.7270/Q2K64GXC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase SRPK1 (Homo sapiens (Human))	BDBM221074 (SPHINX31 | US9695160, 12 | US9796707, Compound 12) Show SMILES FC(F)(F)c1ccc(N2CCN(Cc3ccccn3)CC2)c(NC(=O)c2ccc(o2)-c2ccncc2)c1 Show InChI InChI=1S/C27H24F3N5O2/c28-27(29,30)20-4-5-23(35-15-13-34(14-16-35)18-21-3-1-2-10-32-21)22(17-20)33-26(36)25-7-6-24(37-25)19-8-11-31-12-9-19/h1-12,17H,13-16,18H2,(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	7.5	30
Exonate Ltd					Assay Description A reaction buffer containing 200 mM Tris pH 7.5, 100 mM MgCl2 and 0.1 mg/ml BSA was added to 43 μM SRSF1Arg-Ser (RS) peptide (NH2-RSPSYGRSRSRSRS...				ACS Chem Biol 12: 825-832 (2017) Article DOI: 10.1021/acschembio.6b01048 BindingDB Entry DOI: 10.7270/Q2K64GXC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase SRPK1 (Homo sapiens (Human))	BDBM221074 (SPHINX31 | US9695160, 12 | US9796707, Compound 12) Show SMILES FC(F)(F)c1ccc(N2CCN(Cc3ccccn3)CC2)c(NC(=O)c2ccc(o2)-c2ccncc2)c1 Show InChI InChI=1S/C27H24F3N5O2/c28-27(29,30)20-4-5-23(35-15-13-34(14-16-35)18-21-3-1-2-10-32-21)22(17-20)33-26(36)25-7-6-24(37-25)19-8-11-31-12-9-19/h1-12,17H,13-16,18H2,(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	3.18	n/a	n/a	n/a	n/a	n/a	n/a
The University of Nottingham; NewSouth Innovations PTY Limited US Patent					Assay Description Candidate compounds were screened by the Kinase-Glo assay (Promega; Koresawa and Okabe, 2004), the results of which are shown in Table 1 and Table 2....				US Patent US9796707 (2017) BindingDB Entry DOI: 10.7270/Q2125VTM
					More data for this Ligand-Target Pair				3D Structure (crystal)
SRSF protein kinase 1 (SRPK1) (Homo sapiens (Human))	BDBM221074 (SPHINX31 | US9695160, 12 | US9796707, Compound 12) Show SMILES FC(F)(F)c1ccc(N2CCN(Cc3ccccn3)CC2)c(NC(=O)c2ccc(o2)-c2ccncc2)c1 Show InChI InChI=1S/C27H24F3N5O2/c28-27(29,30)20-4-5-23(35-15-13-34(14-16-35)18-21-3-1-2-10-32-21)22(17-20)33-26(36)25-7-6-24(37-25)19-8-11-31-12-9-19/h1-12,17H,13-16,18H2,(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	3.18	n/a	n/a	n/a	n/a	n/a	30
The University of Nottingham; NewSouth Innovations PTY Limited US Patent					Assay Description Candidate compounds were screened by the Kinase-Glo assay (Promega; Koresawa and Okabe, 2004), the results of which are shown in Table 1 and Table 2....				US Patent US9695160 (2017) BindingDB Entry DOI: 10.7270/Q2639MW1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM221074 (SPHINX31 | US9695160, 12 | US9796707, Compound 12) Show SMILES FC(F)(F)c1ccc(N2CCN(Cc3ccccn3)CC2)c(NC(=O)c2ccc(o2)-c2ccncc2)c1 Show InChI InChI=1S/C27H24F3N5O2/c28-27(29,30)20-4-5-23(35-15-13-34(14-16-35)18-21-3-1-2-10-32-21)22(17-20)33-26(36)25-7-6-24(37-25)19-8-11-31-12-9-19/h1-12,17H,13-16,18H2,(H,33,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	7.45	37
Exonate Ltd					Assay Description Whole cell patch clamp recordings of hERG current (IhERG) were made at 37 °C from human embryonic kidney cells (HEK 293) cells stably expressing ...				ACS Chem Biol 12: 825-832 (2017) Article DOI: 10.1021/acschembio.6b01048 BindingDB Entry DOI: 10.7270/Q2K64GXC
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 221074

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kcal/mole	-TΔS° kcal/mole	ΔH° kcal/mole	log K	pH	Temp °C
Serine/threonine-protein kinase SRPK1 (Homo sapiens (Human))	BDBM221074 (SPHINX31 | US9695160, 12 | US9796707, Compound 12)	GoogleScholar PDB	PC cid PC sid PDB		-9.90	-3.84	-5.97	7.14	7.5	30
Exonate Ltd					ACS Chem Biol 12: 825-832 (2017)