Compile Data Set for Download or QSAR

Found 2829 hits with Last Name = 'pajk' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
GTPase KRas (Homo sapiens (Human))	BDBM50503649 (CHEMBL4476113) Show SMILES CC1(CC1)c1cc(NCC(=O)N2CCN(CC2)C2CN(C2)C(=O)C=C)c(O)cc1Cl Show InChI InChI=1S/C22H29ClN4O3/c1-3-20(29)27-13-15(14-27)25-6-8-26(9-7-25)21(30)12-24-18-10-16(22(2)4-5-22)17(23)11-19(18)28/h3,10-11,15,24,28H,1,4-9,12-14H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of KRAS G12C mutant (unknown origin)				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01688 BindingDB Entry DOI: 10.7270/Q2TM7G15
					More data for this Ligand-Target Pair				3D Structure (crystal)
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617349 (US20230279025, Example 465) Show SMILES CCc1cccc2cccc(-c3ncc4c(nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)N3CC4CCC(C3)N4)c12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.00100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617355 (US20230279025, Example 468) Show SMILES CCc1cccc2cc(O)cc(-c3ncc4c(nc(OC[C@]56CCCN5C[C@@H](F)C6)nc4c3F)N3CC4CCC(C3)N4)c12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.00200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM50579601 (CHEMBL4858364 | US11453683, Example 252 | US202302...) Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(C#C)c(F)ccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	<0.00200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617323 (US20230279025, Example 452 | US20230279025, Exampl...) Show SMILES C[C@@H]1CC1c1c(Cl)cc(O)cc1-c1ncc2c(nc(OC[C@@]34CCCN3C[C@H](F)C4)nc2c1F)N1CC2CCC(C1)N2 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.00200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617363 (US20230279025, Example 482) Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@]45CCCN4C[C@@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(C#C)c(F)ccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.00200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617357 (US20230279025, Example 469) Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@]45C[C@@H](F)CN4CCCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(C#C)c(F)ccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.00200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573400 (US11453683, Example 259 | US20230279025, Example 4...) Show SMILES CCc1cccc2cc(O)cc(-c3ncc4c(nc(OC[C@@]56CCCN5C[C@H](F)C6)nc4c3F)N3CC4CCC(C3)N4)c12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	<0.00200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617351 (US20230279025, Example 466) Show SMILES CCc1cccc2cccc(-c3ncc4c(nc(OC[C@]56C[C@@H](O)CN5C[C@@H](O)C6)nc4c3F)N3CC4CCC(C3)N4)c12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.00600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617347 (US20230279025, Example 464) Show SMILES Fc1ccc2cccc(-c3ncc4c(nc(OCC56CCCN5CCC6)nc4c3F)N3CC4CCC(C3)N4)c2c1F Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.00700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617345 (US20230279025, Example 463) Show SMILES Oc1cc(-c2ncc3c(nc(OCC4CCCN5CCCC45)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0120	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM617339 (US20230279025, Example 460) Show SMILES Fc1ccc2cccc(-c3ncc4c(nc(OCC56CCCN5CCC6)nc4c3F)N3CC4CCC(C3)N4)c2c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM616938 (US20230279025, Example 26 | US20230279025, Example...) Show SMILES Oc1cc(-c2ncc3c(nc(OCCN4C[C@@H]5C[C@H]4CO5)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.0620	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573426 (US11453683, Example 284 | US20230279025, Example 2...) Show SMILES Oc1cc(Cl)c(c(c1)-c1ncc2c(nc(OC[C@@]34CCCN3C[C@H](F)C4)nc2c1F)N1CC2CCC(C1)N2)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KR...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PR807K
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573426 (US11453683, Example 284 | US20230279025, Example 2...) Show SMILES Oc1cc(Cl)c(c(c1)-c1ncc2c(nc(OC[C@@]34CCCN3C[C@H](F)C4)nc2c1F)N1CC2CCC(C1)N2)C(F)(F)F |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM50579600 (CHEMBL4857438 | US11453683, Example 251 | US202302...) Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(Cl)cccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM50579600 (CHEMBL4857438 | US11453683, Example 251 | US202302...) Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(Cl)cccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KR...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PR807K
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM50579595 (CHEMBL4863339 | US11453683, Example 185 | US202302...) Show SMILES Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(cccc2c1)C#C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM50579595 (CHEMBL4863339 | US11453683, Example 185 | US202302...) Show SMILES Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(cccc2c1)C#C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KR...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PR807K
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM565148 (US11414404, Ex. # 25 | US11634409, Example 25) Show SMILES Cc1c(Nc2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2Cl)ccc2ncn(C)c(=O)c12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FT8R02
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM565148 (US11414404, Ex. # 25 | US11634409, Example 25) Show SMILES Cc1c(Nc2c(F)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2Cl)ccc2ncn(C)c(=O)c12 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.340	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A competitive displacement assay was configured for B-Raf that monitors the amount of a fluorescently-tagged “tracer” bound to B-Raf via TR-FRET from...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD511G
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573433 (US11453683, Example 63 | US20230279025, Example 63) Show SMILES CN1CCC[C@H]1COc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2cccc(Cl)c12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KR...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PR807K
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573433 (US11453683, Example 63 | US20230279025, Example 63) Show SMILES CN1CCC[C@H]1COc1nc(N2CC3CCC(C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2cccc(Cl)c12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM50579597 (CHEMBL4876040 | US11453683, Example 243 | US202302...) Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(cccc2c1)C#C |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KR...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PR807K
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM50579597 (CHEMBL4876040 | US11453683, Example 243 | US202302...) Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(cccc2c1)C#C |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573644 (US11453683, Example 439 | US20230279025, Example 4...) Show SMILES CN(C)C(=O)OC[C@H]1CC[C@@]2(COc3nc(N4CC5CCC(C4)N5)c4cnc(c(F)c4n3)-c3cccc4ccc(F)c(C#C)c34)CCCN12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM50579601 (CHEMBL4858364 | US11453683, Example 252 | US202302...) Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(C#C)c(F)ccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM50579594 (CHEMBL4859236 | US11453683, Example 36 | US2023027...) Show SMILES Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(Cl)cccc2c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KR...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PR807K
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573484 (US11453683, Example 340 | US20230279025, Example 3...) Show SMILES Oc1ccc(OC(F)(F)F)c(c1)-c1ncc2c(nc(OCC34CCCN3C[C@H](F)C4)nc2c1F)N1CC2CCC(C1)N2 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM50579601 (CHEMBL4858364 | US11453683, Example 252 | US202302...) Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(C#C)c(F)ccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KR...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PR807K
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573644 (US11453683, Example 439 | US20230279025, Example 4...) Show SMILES CN(C)C(=O)OC[C@H]1CC[C@@]2(COc3nc(N4CC5CCC(C4)N5)c4cnc(c(F)c4n3)-c3cccc4ccc(F)c(C#C)c34)CCCN12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KR...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PR807K
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573484 (US11453683, Example 340 | US20230279025, Example 3...) Show SMILES Oc1ccc(OC(F)(F)F)c(c1)-c1ncc2c(nc(OCC34CCCN3C[C@H](F)C4)nc2c1F)N1CC2CCC(C1)N2 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KR...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PR807K
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM50579594 (CHEMBL4859236 | US11453683, Example 36 | US2023027...) Show SMILES Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(Cl)cccc2c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM565192 (US11414404, Ex. # 69 | US11634409, Example 69) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Oc2ccc3ncn(C)c(=O)c3c2C)c1C#N Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2FT8R02
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase B-raf [V600E] (Homo sapiens (Human))	BDBM565192 (US11414404, Ex. # 69 | US11634409, Example 69) Show SMILES CCCS(=O)(=O)Nc1ccc(F)c(Oc2ccc3ncn(C)c(=O)c3c2C)c1C#N Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A competitive displacement assay was configured for B-Raf that monitors the amount of a fluorescently-tagged “tracer” bound to B-Raf via TR-FRET from...				Citation and Details BindingDB Entry DOI: 10.7270/Q2JD511G
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573598 (US11453683, Example 189 | US20230279025, Example 1...) Show SMILES Fc1ccc2cccc(-c3ncc4c(nc(OCC56CCCN5CCC6)nc4c3F)N3CC4CCC(C3)N4)c2c1C#C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KR...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PR807K
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573647 (US11453683, Example 441 | US20230279025, Example 4...) Show SMILES CCc1c(F)ccc2cc(O)cc(-c3ncc4c(nc(OC[C@]56CCCN5[C@@H](COC(=O)N(C)C)CC6)nc4c3F)N3CC4CCC(C3)N4)c12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KR...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PR807K
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573266 (US11453683, Example 109 | US20230279025, Example 1...) Show SMILES Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573647 (US11453683, Example 441 | US20230279025, Example 4...) Show SMILES CCc1c(F)ccc2cc(O)cc(-c3ncc4c(nc(OC[C@]56CCCN5[C@@H](COC(=O)N(C)C)CC6)nc4c3F)N3CC4CCC(C3)N4)c12 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573424 (US11453683, Example 282 | US11453683, Example 366 ...) Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(F)cccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573598 (US11453683, Example 189 | US20230279025, Example 1...) Show SMILES Fc1ccc2cccc(-c3ncc4c(nc(OCC56CCCN5CCC6)nc4c3F)N3CC4CCC(C3)N4)c2c1C#C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem		n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM50579598 (CHEMBL4857719 | US11453683, Example 245 | US202302...) Show SMILES Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(Cl)c(F)ccc2c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM50579598 (CHEMBL4857719 | US11453683, Example 245 | US202302...) Show SMILES Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(Cl)c(F)ccc2c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KR...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PR807K
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573424 (US11453683, Example 282 | US11453683, Example 366 ...) Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(F)cccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KR...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PR807K
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573266 (US11453683, Example 109 | US20230279025, Example 1...) Show SMILES Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KR...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PR807K
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM50579604 (CHEMBL4876243 | US11453683, Example 388 | US202302...) Show SMILES COC1CN2CCCC2(COc2nc(N3CC4CCC(C3)N4)c3cnc(c(F)c3n2)-c2cc(O)cc3cccc(F)c23)C1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM573462 (US11453683, Example 314 | US20230279025, Example 3...) Show SMILES CCc1c(F)ccc2cc(O)cc(-c3ncc4c(nc(OCC56CCCN5CCC6)nc4c3F)N3CC4CCC(C3)N4)c12 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM50579596 (CHEMBL4867851 | US11453683, Example 232 | US202302...) Show SMILES Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2CC3CCC(C2)N3)c2c(C#C)c(F)ccc2c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM50579599 (CHEMBL4874297 | US11453683, Example 246 | US202302...) Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(F)c(F)ccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2QR5281
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM50579599 (CHEMBL4874297 | US11453683, Example 246 | US202302...) Show SMILES Oc1cc(-c2ncc3c(nc(OC[C@@]45CCCN4C[C@H](F)C5)nc3c2F)N2CC3CCC(C2)N3)c2c(F)c(F)ccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Table 2: The ability of a compound to bind to KRAS G12D was measured using a TR-FRET displacement assay. Biotinylated GDP-loaded recombinant human KR...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PR807K
					More data for this Ligand-Target Pair

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