null

SMILES: Oc1nc(nc2c(csc12)C(=O)N1CCOC(C1)c1nccs1)-c1ccccn1

InChI Key: InChIKey=PBUGBCDQONNVCY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 485663   

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))	BDBM485663 (US10940139, Example 02734 | US11000515, Compound T...) Show SMILES Oc1nc(nc2c(csc12)C(=O)N1CCOC(C1)c1nccs1)-c1ccccn1 Show InChI InChI=1S/C19H15N5O3S2/c25-17-15-14(22-16(23-17)12-3-1-2-4-20-12)11(10-29-15)19(26)24-6-7-27-13(9-24)18-21-5-8-28-18/h1-5,8,10,13H,6-7,9H2,(H,22,23,25)	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))	BDBM485663 (US10940139, Example 02734 | US11000515, Compound T...) Show SMILES Oc1nc(nc2c(csc12)C(=O)N1CCOC(C1)c1nccs1)-c1ccccn1 Show InChI InChI=1S/C19H15N5O3S2/c25-17-15-14(22-16(23-17)12-3-1-2-4-20-12)11(10-29-15)19(26)24-6-7-27-13(9-24)18-21-5-8-28-18/h1-5,8,10,13H,6-7,9H2,(H,22,23,25)	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))	BDBM485663 (US10940139, Example 02734 | US11000515, Compound T...) Show SMILES Oc1nc(nc2c(csc12)C(=O)N1CCOC(C1)c1nccs1)-c1ccccn1 Show InChI InChI=1S/C19H15N5O3S2/c25-17-15-14(22-16(23-17)12-3-1-2-4-20-12)11(10-29-15)19(26)24-6-7-27-13(9-24)18-21-5-8-28-18/h1-5,8,10,13H,6-7,9H2,(H,22,23,25)	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