null

SMILES: OCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12

InChI Key: InChIKey=XIWBNOAYPAXNEG-UHFFFAOYSA-N

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 8 hits for monomerid = 225517   

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
Tyrosine-protein kinase SYK [355-635] (Homo sapiens (Human))	BDBM225517 (GTC000226A | GTC000226B) Show SMILES OCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12 Show InChI InChI=1S/C21H21N7O3S/c29-10-2-9-28(18-4-1-3-17-16(18)13-23-27-17)20-7-8-22-21(26-20)25-15-6-5-14-12-24-32(30,31)19(14)11-15/h1,3-8,11,13,24,29H,2,9-10,12H2,(H,23,27)(H,22,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB D3R	n/a	n/a	0.412	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description SYK assay_HTRF				D3R 225: (2015) BindingDB Entry DOI: 10.7270/Q2CV4GM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK [355-635] (Homo sapiens (Human))	BDBM225517 (GTC000226A | GTC000226B) Show SMILES OCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12 Show InChI InChI=1S/C21H21N7O3S/c29-10-2-9-28(18-4-1-3-17-16(18)13-23-27-17)20-7-8-22-21(26-20)25-15-6-5-14-12-24-32(30,31)19(14)11-15/h1,3-8,11,13,24,29H,2,9-10,12H2,(H,23,27)(H,22,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB D3R	n/a	n/a	0.746	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description SYK assay_HTRF				D3R 225: (2015) BindingDB Entry DOI: 10.7270/Q2CV4GM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK [355-635] (Homo sapiens (Human))	BDBM225517 (GTC000226A | GTC000226B) Show SMILES OCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12 Show InChI InChI=1S/C21H21N7O3S/c29-10-2-9-28(18-4-1-3-17-16(18)13-23-27-17)20-7-8-22-21(26-20)25-15-6-5-14-12-24-32(30,31)19(14)11-15/h1,3-8,11,13,24,29H,2,9-10,12H2,(H,23,27)(H,22,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB D3R	n/a	n/a	2.23	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description SYK assay_HTRF				D3R 225: (2015) BindingDB Entry DOI: 10.7270/Q2CV4GM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK [355-635] (Homo sapiens (Human))	BDBM225517 (GTC000226A | GTC000226B) Show SMILES OCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12 Show InChI InChI=1S/C21H21N7O3S/c29-10-2-9-28(18-4-1-3-17-16(18)13-23-27-17)20-7-8-22-21(26-20)25-15-6-5-14-12-24-32(30,31)19(14)11-15/h1,3-8,11,13,24,29H,2,9-10,12H2,(H,23,27)(H,22,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB D3R	n/a	n/a	3.44	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description SYK assay_HTRF				D3R 225: (2015) BindingDB Entry DOI: 10.7270/Q2CV4GM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK [355-635] (Homo sapiens (Human))	BDBM225517 (GTC000226A | GTC000226B) Show SMILES OCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12 Show InChI InChI=1S/C21H21N7O3S/c29-10-2-9-28(18-4-1-3-17-16(18)13-23-27-17)20-7-8-22-21(26-20)25-15-6-5-14-12-24-32(30,31)19(14)11-15/h1,3-8,11,13,24,29H,2,9-10,12H2,(H,23,27)(H,22,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB D3R	n/a	n/a	0.925	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description SYK assay_HTRF				D3R 225: (2015) BindingDB Entry DOI: 10.7270/Q2CV4GM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK [355-635] (Homo sapiens (Human))	BDBM225517 (GTC000226A | GTC000226B) Show SMILES OCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12 Show InChI InChI=1S/C21H21N7O3S/c29-10-2-9-28(18-4-1-3-17-16(18)13-23-27-17)20-7-8-22-21(26-20)25-15-6-5-14-12-24-32(30,31)19(14)11-15/h1,3-8,11,13,24,29H,2,9-10,12H2,(H,23,27)(H,22,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB D3R	n/a	n/a	2.21	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description SYK assay_HTRF				D3R 225: (2015) BindingDB Entry DOI: 10.7270/Q2CV4GM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK [355-635] (Homo sapiens (Human))	BDBM225517 (GTC000226A | GTC000226B) Show SMILES OCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12 Show InChI InChI=1S/C21H21N7O3S/c29-10-2-9-28(18-4-1-3-17-16(18)13-23-27-17)20-7-8-22-21(26-20)25-15-6-5-14-12-24-32(30,31)19(14)11-15/h1,3-8,11,13,24,29H,2,9-10,12H2,(H,23,27)(H,22,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB D3R	n/a	n/a	3.52	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description SYK assay_HTRF				D3R 225: (2015) BindingDB Entry DOI: 10.7270/Q2CV4GM1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase SYK [355-635] (Homo sapiens (Human))	BDBM225517 (GTC000226A | GTC000226B) Show SMILES OCCCN(c1ccnc(Nc2ccc3CNS(=O)(=O)c3c2)n1)c1cccc2[nH]ncc12 Show InChI InChI=1S/C21H21N7O3S/c29-10-2-9-28(18-4-1-3-17-16(18)13-23-27-17)20-7-8-22-21(26-20)25-15-6-5-14-12-24-32(30,31)19(14)11-15/h1,3-8,11,13,24,29H,2,9-10,12H2,(H,23,27)(H,22,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB D3R	n/a	n/a	3.35	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description SYK assay_HTRF				D3R 225: (2015) BindingDB Entry DOI: 10.7270/Q2CV4GM1
					More data for this Ligand-Target Pair				3D Structure (crystal)