Compile Data Set for Download or QSAR

Found 514 hits with Last Name = 'kawai' and Initial = 'y'   

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
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM126083 (US8779142, 102) Show SMILES CCc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O Show InChI InChI=1S/C25H26N8O/c1-5-16-10-17(24(26)34)6-7-20(16)33-25-22(23(30-33)15(2)3)21(8-9-27-25)32-13-19(28-14-32)18-11-29-31(4)12-18/h6-15H,5H2,1-4H3,(H2,26,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human HSP90-beta by fluorescence polarization competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01715 BindingDB Entry DOI: 10.7270/Q2Z323H2
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM126083 (US8779142, 102) Show SMILES CCc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O Show InChI InChI=1S/C25H26N8O/c1-5-16-10-17(24(26)34)6-7-20(16)33-25-22(23(30-33)15(2)3)21(8-9-27-25)32-13-19(28-14-32)18-11-29-31(4)12-18/h6-15H,5H2,1-4H3,(H2,26,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FITC-GDA binding to human HSP90-alpha incubated for 2 hrs followed by FITC-GDA addition and measured after 5 hrs by fluorescence polari...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01715 BindingDB Entry DOI: 10.7270/Q2Z323H2
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-alpha (Homo sapiens (Human))	BDBM50582399 (CHEMBL5094983) Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(ccnc12)-n1cnc(c1)-c1ccccc1 |(-1.67,-8.76,;-.34,-7.99,;1,-8.76,;-.34,-6.45,;-1.67,-5.69,;-1.67,-4.14,;-.34,-3.37,;.99,-4.14,;.99,-5.68,;2.32,-6.45,;3.66,-5.68,;3.66,-4.14,;4.99,-3.37,;6.32,-4.14,;7.66,-3.37,;6.32,-5.68,;4.99,-6.45,;-.34,-1.83,;1,-1.06,;.99,.48,;-.34,1.25,;-1.67,.48,;-3.01,1.25,;-4.33,.47,;-4.33,-1.05,;-3,-1.82,;-1.67,-1.06,;-3.01,2.79,;-1.88,3.82,;-2.5,5.24,;-4,5.09,;-4.34,3.56,;-5.08,6.18,;-6.57,5.78,;-7.66,6.87,;-7.26,8.36,;-5.78,8.76,;-4.68,7.68,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of FITC-GDA binding to human HSP90-alpha incubated for 2 hrs followed by FITC-GDA addition and measured after 5 hrs by fluorescence polari...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01715 BindingDB Entry DOI: 10.7270/Q2Z323H2
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM50582399 (CHEMBL5094983) Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(ccnc12)-n1cnc(c1)-c1ccccc1 |(-1.67,-8.76,;-.34,-7.99,;1,-8.76,;-.34,-6.45,;-1.67,-5.69,;-1.67,-4.14,;-.34,-3.37,;.99,-4.14,;.99,-5.68,;2.32,-6.45,;3.66,-5.68,;3.66,-4.14,;4.99,-3.37,;6.32,-4.14,;7.66,-3.37,;6.32,-5.68,;4.99,-6.45,;-.34,-1.83,;1,-1.06,;.99,.48,;-.34,1.25,;-1.67,.48,;-3.01,1.25,;-4.33,.47,;-4.33,-1.05,;-3,-1.82,;-1.67,-1.06,;-3.01,2.79,;-1.88,3.82,;-2.5,5.24,;-4,5.09,;-4.34,3.56,;-5.08,6.18,;-6.57,5.78,;-7.66,6.87,;-7.26,8.36,;-5.78,8.76,;-4.68,7.68,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human HSP90-beta by fluorescence polarization competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01715 BindingDB Entry DOI: 10.7270/Q2Z323H2
					More data for this Ligand-Target Pair
Endoplasmin (Homo sapiens (Human))	BDBM126083 (US8779142, 102) Show SMILES CCc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O Show InChI InChI=1S/C25H26N8O/c1-5-16-10-17(24(26)34)6-7-20(16)33-25-22(23(30-33)15(2)3)21(8-9-27-25)32-13-19(28-14-32)18-11-29-31(4)12-18/h6-15H,5H2,1-4H3,(H2,26,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to GRP94 (unknown origin) by fluorescence polarization competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01715 BindingDB Entry DOI: 10.7270/Q2Z323H2
					More data for this Ligand-Target Pair
Heat shock protein 75 kDa, mitochondrial (Homo sapiens (Human))	BDBM126083 (US8779142, 102) Show SMILES CCc1cc(ccc1-n1nc(C(C)C)c2c(ccnc12)-n1cnc(c1)-c1cnn(C)c1)C(N)=O Show InChI InChI=1S/C25H26N8O/c1-5-16-10-17(24(26)34)6-7-20(16)33-25-22(23(30-33)15(2)3)21(8-9-27-25)32-13-19(28-14-32)18-11-29-31(4)12-18/h6-15H,5H2,1-4H3,(H2,26,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to TRAP1 (unknown origin) by fluorescence polarization competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01715 BindingDB Entry DOI: 10.7270/Q2Z323H2
					More data for this Ligand-Target Pair
Endoplasmin (Homo sapiens (Human))	BDBM50582399 (CHEMBL5094983) Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(ccnc12)-n1cnc(c1)-c1ccccc1 |(-1.67,-8.76,;-.34,-7.99,;1,-8.76,;-.34,-6.45,;-1.67,-5.69,;-1.67,-4.14,;-.34,-3.37,;.99,-4.14,;.99,-5.68,;2.32,-6.45,;3.66,-5.68,;3.66,-4.14,;4.99,-3.37,;6.32,-4.14,;7.66,-3.37,;6.32,-5.68,;4.99,-6.45,;-.34,-1.83,;1,-1.06,;.99,.48,;-.34,1.25,;-1.67,.48,;-3.01,1.25,;-4.33,.47,;-4.33,-1.05,;-3,-1.82,;-1.67,-1.06,;-3.01,2.79,;-1.88,3.82,;-2.5,5.24,;-4,5.09,;-4.34,3.56,;-5.08,6.18,;-6.57,5.78,;-7.66,6.87,;-7.26,8.36,;-5.78,8.76,;-4.68,7.68,)| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to GRP94 (unknown origin) by fluorescence polarization competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01715 BindingDB Entry DOI: 10.7270/Q2Z323H2
					More data for this Ligand-Target Pair
Heat shock protein 75 kDa, mitochondrial (Homo sapiens (Human))	BDBM50582399 (CHEMBL5094983) Show SMILES NC(=O)c1ccc(cc1NC1CCC(O)CC1)-c1nccc2c(ccnc12)-n1cnc(c1)-c1ccccc1 |(-1.67,-8.76,;-.34,-7.99,;1,-8.76,;-.34,-6.45,;-1.67,-5.69,;-1.67,-4.14,;-.34,-3.37,;.99,-4.14,;.99,-5.68,;2.32,-6.45,;3.66,-5.68,;3.66,-4.14,;4.99,-3.37,;6.32,-4.14,;7.66,-3.37,;6.32,-5.68,;4.99,-6.45,;-.34,-1.83,;1,-1.06,;.99,.48,;-.34,1.25,;-1.67,.48,;-3.01,1.25,;-4.33,.47,;-4.33,-1.05,;-3,-1.82,;-1.67,-1.06,;-3.01,2.79,;-1.88,3.82,;-2.5,5.24,;-4,5.09,;-4.34,3.56,;-5.08,6.18,;-6.57,5.78,;-7.66,6.87,;-7.26,8.36,;-5.78,8.76,;-4.68,7.68,)| Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to TRAP1 (unknown origin) by fluorescence polarization competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c01715 BindingDB Entry DOI: 10.7270/Q2Z323H2
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309489 (US9603833, Example 111) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2cccc(COC(=O)NN)c2)nc1 Show InChI InChI=1S/C21H27N5O3/c1-16(27)25-9-11-26(12-10-25)20-8-7-19(23-14-20)6-5-17-3-2-4-18(13-17)15-29-21(28)24-22/h2-4,7-8,13-14H,5-6,9-12,15,22H2,1H3,(H,24,28)	KEGG UniProtKB/SwissProt 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
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM309489 (US9603833, Example 111) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2cccc(COC(=O)NN)c2)nc1 Show InChI InChI=1S/C21H27N5O3/c1-16(27)25-9-11-26(12-10-25)20-8-7-19(23-14-20)6-5-17-3-2-4-18(13-17)15-29-21(28)24-22/h2-4,7-8,13-14H,5-6,9-12,15,22H2,1H3,(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Amine oxidase [flavin-containing] A (Homo sapiens (Human))	BDBM15581 (CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...) Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in the Production Examples were examined for the inhibitory effect on human monoamineoxydase enzymes ...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309497 (US9603833, Example 120) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CC(=O)NN)s2)nc1 |$;;;;;;;;;;;;;;;;;;;;;;HN;;;;$| Show InChI InChI=1S/C19H25N5O2S/c1-14(25)23-8-10-24(11-9-23)16-4-2-15(21-13-16)3-5-17-6-7-18(27-17)12-19(26)22-20/h2,4,6-7,13H,3,5,8-12,20H2,1H3,(H,22,26)	KEGG UniProtKB/SwissProt 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
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309491 (US9603833, Example 113) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(COC(=O)NN)cc2F)nc1 Show InChI InChI=1S/C21H26FN5O3/c1-15(28)26-8-10-27(11-9-26)19-7-6-18(24-13-19)5-4-17-3-2-16(12-20(17)22)14-30-21(29)25-23/h2-3,6-7,12-13H,4-5,8-11,14,23H2,1H3,(H,25,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309490 (US9603833, Example 112) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2cccc(CNC(=O)NN)c2)nc1 Show InChI InChI=1S/C21H28N6O2/c1-16(28)26-9-11-27(12-10-26)20-8-7-19(23-15-20)6-5-17-3-2-4-18(13-17)14-24-21(29)25-22/h2-4,7-8,13,15H,5-6,9-12,14,22H2,1H3,(H2,24,25,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM309490 (US9603833, Example 112) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2cccc(CNC(=O)NN)c2)nc1 Show InChI InChI=1S/C21H28N6O2/c1-16(28)26-9-11-27(12-10-26)20-8-7-19(23-15-20)6-5-17-3-2-4-18(13-17)14-24-21(29)25-22/h2-4,7-8,13,15H,5-6,9-12,14,22H2,1H3,(H2,24,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM50576728 (CHEMBL4849611 | US20230348495, Example 7) Show SMILES CN(C)CC1(COc2nc3CN(CCc3c(n2)N2CC3CCC(C2)N3)c2cc(O)cc3cccc(I)c23)CC1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.700	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] (Homo sapiens (Human))	BDBM50576730 (CHEMBL4869200 | US20230348495, Example 9) Show SMILES Oc1cc(N2CCc3c(C2)nc(OCC2(CN4CCOCC4)CC2)nc3N2CC3CCC(C2)N3)c2c(I)cccc2c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309486 (US9603833, Example 108) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(COC(=O)NN)cc2)nc1 Show InChI InChI=1S/C21H27N5O3/c1-16(27)25-10-12-26(13-11-25)20-9-8-19(23-14-20)7-6-17-2-4-18(5-3-17)15-29-21(28)24-22/h2-5,8-9,14H,6-7,10-13,15,22H2,1H3,(H,24,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM633148 (US20230348495, Example 1) Show SMILES CN(C)CC1(COc2nc3CN(CCc3c(n2)N2CC3CCC(C2)N3)c2cc(O)cc3cccc(Br)c23)CC1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309479 (US9603833, Example 92) Show SMILES CCCN(CCC)c1ccc(CCc2ccc(CC(=O)NN)cc2)cn1 Show InChI InChI=1S/C21H30N4O/c1-3-13-25(14-4-2)20-12-11-19(16-23-20)10-7-17-5-8-18(9-6-17)15-21(26)24-22/h5-6,8-9,11-12,16H,3-4,7,10,13-15,22H2,1-2H3,(H,24,26)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309477 (US9603833, Example 89) Show SMILES CCN(C)c1ccc(CCc2ccc(CC(=O)NN)cc2)cn1 Show InChI InChI=1S/C18H24N4O/c1-3-22(2)17-11-10-16(13-20-17)9-6-14-4-7-15(8-5-14)12-18(23)21-19/h4-5,7-8,10-11,13H,3,6,9,12,19H2,1-2H3,(H,21,23)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309476 (US9603833, Example 88) Show SMILES CCN(CC)c1ccc(CCc2ccc(CC(=O)NN)cc2)nc1 Show InChI InChI=1S/C19H26N4O/c1-3-23(4-2)18-12-11-17(21-14-18)10-9-15-5-7-16(8-6-15)13-19(24)22-20/h5-8,11-12,14H,3-4,9-10,13,20H2,1-2H3,(H,22,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM50576729 (CHEMBL4876274 | US20230348495, Example 8) Show SMILES Oc1cc(N2CCc3c(C2)nc(OCC2(CN4CC[C@@H](F)C4)CC2)nc3N2CC3CCC(C2)N3)c2c(I)cccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM309491 (US9603833, Example 113) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(COC(=O)NN)cc2F)nc1 Show InChI InChI=1S/C21H26FN5O3/c1-15(28)26-8-10-27(11-9-26)19-7-6-18(24-13-19)5-4-17-3-2-16(12-20(17)22)14-30-21(29)25-23/h2-3,6-7,12-13H,4-5,8-11,14,23H2,1H3,(H,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM309486 (US9603833, Example 108) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(COC(=O)NN)cc2)nc1 Show InChI InChI=1S/C21H27N5O3/c1-16(27)25-10-12-26(13-11-25)20-9-8-19(23-14-20)7-6-17-2-4-18(5-3-17)15-29-21(28)24-22/h2-5,8-9,14H,6-7,10-13,15,22H2,1H3,(H,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309474 (US9603833, Example 86) Show SMILES NNC(=O)Cc1ccc(CCc2ccc(cn2)N2CCNCC2)cc1 Show InChI InChI=1S/C19H25N5O/c20-23-19(25)13-16-3-1-15(2-4-16)5-6-17-7-8-18(14-22-17)24-11-9-21-10-12-24/h1-4,7-8,14,21H,5-6,9-13,20H2,(H,23,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309459 (US9603833, Example 12) Show SMILES NNC(=O)Cc1ccc(CCc2ccc(nc2)N2CCOCC2)cc1 Show InChI InChI=1S/C19H24N4O2/c20-22-19(24)13-16-4-1-15(2-5-16)3-6-17-7-8-18(21-14-17)23-9-11-25-12-10-23/h1-2,4-5,7-8,14H,3,6,9-13,20H2,(H,22,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309492 (US9603833, Example 114) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CNC(=O)NN)cc2F)nc1 Show InChI InChI=1S/C21H27FN6O2/c1-15(29)27-8-10-28(11-9-27)19-7-6-18(24-14-19)5-4-17-3-2-16(12-20(17)22)13-25-21(30)26-23/h2-3,6-7,12,14H,4-5,8-11,13,23H2,1H3,(H2,25,26,30)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309464 (US9603833, Example 45) Show SMILES NNC(=O)Cc1ccc(CCc2ccc(nc2)N2CCCCC2)cc1 Show InChI InChI=1S/C20H26N4O/c21-23-20(25)14-17-7-4-16(5-8-17)6-9-18-10-11-19(22-15-18)24-12-2-1-3-13-24/h4-5,7-8,10-11,15H,1-3,6,9,12-14,21H2,(H,23,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM50576726 (CHEMBL4872714 | US20230348495, Example 3) Show SMILES Oc1cc(N2CCc3c(C2)nc(OCC2(CN4CCOCC4)CC2)nc3N2CC3CCC(C2)N3)c2c(Br)cccc2c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309470 (US9603833, Example 70) Show SMILES NNC(=O)Cc1ccc(CCc2ccc(CN3CCOCC3)cc2)cc1 Show InChI InChI=1S/C21H27N3O2/c22-23-21(25)15-19-7-3-17(4-8-19)1-2-18-5-9-20(10-6-18)16-24-11-13-26-14-12-24/h3-10H,1-2,11-16,22H2,(H,23,25)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309478 (US9603833, Example 90) Show SMILES CCCN(C)c1ccc(CCc2ccc(CC(=O)NN)cc2)cn1 Show InChI InChI=1S/C19H26N4O/c1-3-12-23(2)18-11-10-17(14-21-18)9-6-15-4-7-16(8-5-15)13-19(24)22-20/h4-5,7-8,10-11,14H,3,6,9,12-13,20H2,1-2H3,(H,22,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309475 (US9603833, Example 87) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CC(=O)NN)cc2)nc1 Show InChI InChI=1S/C21H27N5O2/c1-16(27)25-10-12-26(13-11-25)20-9-8-19(23-15-20)7-6-17-2-4-18(5-3-17)14-21(28)24-22/h2-5,8-9,15H,6-7,10-14,22H2,1H3,(H,24,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309487 (US9603833, Example 109) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CNC(=O)NN)cc2)nc1 Show InChI InChI=1S/C21H28N6O2/c1-16(28)26-10-12-27(13-11-26)20-9-8-19(23-15-20)7-6-17-2-4-18(5-3-17)14-24-21(29)25-22/h2-5,8-9,15H,6-7,10-14,22H2,1H3,(H2,24,25,29)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
GTPase KRas [G12D] (Homo sapiens (Human))	BDBM633208 (US20230348495, Example 11) Show SMILES Oc1cc(C(=O)N2Cc3nc(OCC4(CN5CC[C@@H](F)C5)CC4)nc(N4CC5CCC(C4)N5)c3C2)c2c(cccc2c1)C#C |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.40	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] (Homo sapiens (Human))	BDBM50576725 (CHEMBL4875572 | US20230348495, Example 2) Show SMILES Oc1cc(N2CCc3c(C2)nc(OCC2(CN4CC[C@@H](F)C4)CC2)nc3N2CC3CCC(C2)N3)c2c(Br)cccc2c1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	1.5	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] (Homo sapiens (Human))	BDBM633194 (US20230348495, Example 4) Show SMILES CN(C)CC1(COc2nc3CN(CCc3c(n2)N2CC3CCC(C2)N3)c2cc(O)cc3cccc(C)c23)CC1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.5	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] (Homo sapiens (Human))	BDBM633207 (US20230348495, Example 10) Show SMILES Oc1cc(C(=O)N2Cc3nc(OCC4(CN5CCOCC5)CC4)nc(N4CC5CCC(C4)N5)c3C2)c2c(cccc2c1)C#C Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309498 (US9603833, Example 121) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2csc(CCC(=O)NN)c2)nc1 Show InChI InChI=1S/C20H27N5O2S/c1-15(26)24-8-10-25(11-9-24)18-5-4-17(22-13-18)3-2-16-12-19(28-14-16)6-7-20(27)23-21/h4-5,12-14H,2-3,6-11,21H2,1H3,(H,23,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309488 (US9603833, Example 110) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(OC(=O)NN)cc2)nc1 Show InChI InChI=1S/C20H25N5O3/c1-15(26)24-10-12-25(13-11-24)18-7-6-17(22-14-18)5-2-16-3-8-19(9-4-16)28-20(27)23-21/h3-4,6-9,14H,2,5,10-13,21H2,1H3,(H,23,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309473 (US9603833, Example 85) Show SMILES CCN(CC)c1ccc(CCc2ccc(CC(=O)NN)cc2)cn1 Show InChI InChI=1S/C19H26N4O/c1-3-23(4-2)18-12-11-17(14-21-18)10-7-15-5-8-16(9-6-15)13-19(24)22-20/h5-6,8-9,11-12,14H,3-4,7,10,13,20H2,1-2H3,(H,22,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM309492 (US9603833, Example 114) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CNC(=O)NN)cc2F)nc1 Show InChI InChI=1S/C21H27FN6O2/c1-15(29)27-8-10-28(11-9-27)19-7-6-18(24-14-19)5-4-17-3-2-16(12-20(17)22)13-25-21(30)26-23/h2-3,6-7,12,14H,4-5,8-11,13,23H2,1H3,(H2,25,26,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309482 (US9603833, Example 101) Show SMILES CC(=O)N1CCN(CC1)c1cnc(CCc2ccc(CC(=O)NN)cc2)cn1 Show InChI InChI=1S/C20H26N6O2/c1-15(27)25-8-10-26(11-9-25)19-14-22-18(13-23-19)7-6-16-2-4-17(5-3-16)12-20(28)24-21/h2-5,13-14H,6-12,21H2,1H3,(H,24,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Homo sapiens (Human))	BDBM309498 (US9603833, Example 121) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2csc(CCC(=O)NN)c2)nc1 Show InChI InChI=1S/C20H27N5O2S/c1-15(26)24-8-10-25(11-9-24)18-5-4-17(22-13-18)3-2-16-12-19(28-14-16)6-7-20(27)23-21/h4-5,12-14H,2-3,6-11,21H2,1H3,(H,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309461 (US9603833, Example 30) Show SMILES CCN(CC)c1ccc(CCc2ccc(CC(=O)NN)cc2)cc1 Show InChI InChI=1S/C20H27N3O/c1-3-23(4-2)19-13-11-17(12-14-19)6-5-16-7-9-18(10-8-16)15-20(24)22-21/h7-14H,3-6,15,21H2,1-2H3,(H,22,24)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309481 (US9603833, Example 99) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CC(=O)NN)cc2)nn1 Show InChI InChI=1S/C20H26N6O2/c1-15(27)25-10-12-26(13-11-25)19-9-8-18(23-24-19)7-6-16-2-4-17(5-3-16)14-20(28)22-21/h2-5,8-9H,6-7,10-14,21H2,1H3,(H,22,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Membrane primary amine oxidase (Rattus norvegicus (Rat))	BDBM309495 (US9603833, Example 117) Show SMILES CC(=O)N1CCN(CC1)c1ccc(CCc2ccc(CCNC(=O)NN)s2)nc1 |$;;;;;;;;;;;;;;;;;;;;;HN;;;HN;;;;$| Show InChI InChI=1S/C20H28N6O2S/c1-15(27)25-10-12-26(13-11-25)17-4-2-16(23-14-17)3-5-18-6-7-19(29-18)8-9-22-20(28)24-21/h2,4,6-7,14H,3,5,8-13,21H2,1H3,(H2,22,24,28)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
R-Tech Ueno, Ltd. US Patent					Assay Description The compounds of the present invention obtained in Production Examples were examined for the inhibitory effect on human and rat VAP-1 enzyme (SSAO) b...				US Patent US9603833 (2017) BindingDB Entry DOI: 10.7270/Q2W37ZCW
					More data for this Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376962 (US10329300, Example 50 | US11696917, Example 50 | ...) Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1F Show InChI InChI=1S/C24H26ClFN8O3/c1-4-16(35)33-9-5-6-14(11-33)34-23-18(22(27)28-12-29-23)21(31-34)24(37)30-15-8-7-13(20(26)19(15)25)10-17(36)32(2)3/h4,7-8,12,14H,1,5-6,9-11H2,2-3H3,(H,30,37)(H2,27,28,29)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Universite Paris 7-Denis Diderot					Assay Description For the inhibitory activity measurement of each compound, the compound of the present invention or staurosporine was first serially diluted with dime...				Bioorg Med Chem 16: 1242-53 (2008) BindingDB Entry DOI: 10.7270/Q2BR8VHD
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Receptor tyrosine-protein kinase erbB-2 (Homo sapiens (Human))	BDBM376962 (US10329300, Example 50 | US11696917, Example 50 | ...) Show SMILES CN(C)C(=O)Cc1ccc(NC(=O)c2nn([C@@H]3CCCN(C3)C(=O)C=C)c3ncnc(N)c23)c(Cl)c1F Show InChI InChI=1S/C24H26ClFN8O3/c1-4-16(35)33-9-5-6-14(11-33)34-23-18(22(27)28-12-29-23)21(31-34)24(37)30-15-8-7-13(20(26)19(15)25)10-17(36)32(2)3/h4,7-8,12,14H,1,5-6,9-11H2,2-3H3,(H,30,37)(H2,27,28,29)/t14-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TAIHO PHARMACEUTICAL CO., LTD. US Patent					Assay Description For setting the conditions for the method for measuring the in vitro inhibitory activity of a compound against HER2-phosphorylating activity, Profile...				US Patent US10329300 (2019) BindingDB Entry DOI: 10.7270/Q2MG7RWF
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GTPase KRas [G12D] (Homo sapiens (Human))	BDBM633226 (US20230348495, Example 20) Show SMILES CN(C)CC1(COc2nc3CN(CCc3c(n2)N2C[C@@H]3CC[C@H]2CN3)c2cc(O)cc3cccc(Br)c23)CC1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
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