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SMILES: Oc1nc(nc2c(csc12)C(=O)N1CCN(CC1)c1ccccc1)-c1ccccn1

InChI Key: InChIKey=NBUHZJNQKHPLPW-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 485659   

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
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM485659 (US10940139, Example 02680 | US11000515, Compound T...) Show SMILES Oc1nc(nc2c(csc12)C(=O)N1CCN(CC1)c1ccccc1)-c1ccccn1 Show InChI InChI=1S/C22H19N5O2S/c28-21-19-18(24-20(25-21)17-8-4-5-9-23-17)16(14-30-19)22(29)27-12-10-26(11-13-27)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,24,25,28)	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shy Therapeutics LLC US Patent					Assay Description Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...				US Patent US10940139 (2021)
					More data for this Ligand-Target Pair
GTPase KRas [G12D,Q61H] (Homo sapiens (Human))	BDBM485659 (US10940139, Example 02680 | US11000515, Compound T...) Show SMILES Oc1nc(nc2c(csc12)C(=O)N1CCN(CC1)c1ccccc1)-c1ccccn1 Show InChI InChI=1S/C22H19N5O2S/c28-21-19-18(24-20(25-21)17-8-4-5-9-23-17)16(14-30-19)22(29)27-12-10-26(11-13-27)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,24,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
GTPase KRas [G12D,Q61H] (Homo sapiens (Human))	BDBM485659 (US10940139, Example 02680 | US11000515, Compound T...) Show SMILES Oc1nc(nc2c(csc12)C(=O)N1CCN(CC1)c1ccccc1)-c1ccccn1 Show InChI InChI=1S/C22H19N5O2S/c28-21-19-18(24-20(25-21)17-8-4-5-9-23-17)16(14-30-19)22(29)27-12-10-26(11-13-27)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,24,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shy Therapeutics LLC US Patent					Assay Description Buffer-I: 50 mM Tris, pH 7.5 150 mM NaCl (optional) 1 mM MgCl2 1 mM DTT. KRas G12D mutant protein was expressed as...				US Patent US11000515 (2021)
					More data for this Ligand-Target Pair