Compile Data Set for Download or QSAR

Found 662 hits with Last Name = 'eathiraj' 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
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM499813 ((2-chloro-4-phenoxyphenyl)(4- (((3R,6R)-6-(hydroxy...) Show SMILES OC[C@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM499811 (US11020398, Compound I-123 | US20230364079, Exampl...) Show SMILES OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.390	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499813 ((2-chloro-4-phenoxyphenyl)(4- (((3R,6R)-6-(hydroxy...) Show SMILES OC[C@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499813 ((2-chloro-4-phenoxyphenyl)(4- (((3R,6R)-6-(hydroxy...) Show SMILES OC[C@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.560	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499810 (N-((S)-1-((2S,5R)-5-((5-(2-chloro-4- phenoxybenzoy...) Show SMILES C[C@H](NC(C)=O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK [C481S] (Homo sapiens (Human))	BDBM499814 ((2-chloro-4-phenoxyphenyl)(4- (((3S,6S)-6-(hydroxy...) Show SMILES OC[C@@H]1CC[C@@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499811 (US11020398, Compound I-123 | US20230364079, Exampl...) Show SMILES OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499811 (US11020398, Compound I-123 | US20230364079, Exampl...) Show SMILES OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499838 ((2-chloro-4-phenoxyphenyl)(4- (((3R,6S)-6-((R)-1- ...) Show SMILES C[C@@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499976 ((racemic)-1-(2-(((5-(2-chloro-4- phenoxybenzoyl)-7...) Show SMILES Clc1cc(Oc2ccccc2)ccc1C(=O)c1c[nH]c2ncnc(NCC3CCCN3C(=O)C=C)c12 |w:25.27| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Purified full-length inactive BTK (wild type and C481 mutant, N-terminal 6XHIS tagged BTK, Mwt=78.2 kDa) were activated using soluble inositol hexaki...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499869 (N-(cis-4-((5-(2-chloro-4- phenoxybenzoyl)-7H-pyrro...) Show SMILES CN(C)CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:7.6,10.13,(-11.74,3.85,;-10.41,3.08,;-10.41,1.54,;-9.07,3.85,;-7.74,3.08,;-7.74,1.54,;-6.41,3.85,;-5.07,3.08,;-3.74,3.85,;-2.41,3.08,;-2.41,1.54,;-3.74,.77,;-5.07,1.54,;-1.07,.77,;-1.07,-.77,;-2.41,-1.54,;-2.41,-3.08,;-1.07,-3.85,;.26,-3.08,;1.73,-3.56,;2.63,-2.31,;1.73,-1.06,;2.13,.42,;1.04,1.51,;3.61,.82,;4.7,-.27,;6.19,.13,;6.59,1.62,;8.08,2.02,;9.16,.93,;8.77,-.56,;9.85,-1.65,;11.34,-1.25,;11.74,.24,;10.65,1.33,;5.5,2.71,;4.01,2.31,;2.92,3.4,;.26,-1.54,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499924 (N-(4-chloro-3-(4-(((3R,6S)-6- (hydroxymethyl)tetra...) Show SMILES OC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3cc(NC(=O)c4cc5CCCCc5cn4)ccc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Purified full-length inactive BTK (wild type and C481 mutant, N-terminal 6XHIS tagged BTK, Mwt=78.2 kDa) were activated using soluble inositol hexaki...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499974 ((racemic)-1-(2-(((5-(2-chloro-4- phenoxybenzoyl)-7...) Show SMILES CC#CC(=O)N1CCCC1CNc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |w:10.10| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Purified full-length inactive BTK (wild type and C481 mutant, N-terminal 6XHIS tagged BTK, Mwt=78.2 kDa) were activated using soluble inositol hexaki...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499890 ((S)-2-hydroxy-N-(cis-4-((5-(4- phenoxybenzoyl)-7H-...) Show SMILES C[C@H](O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:6.5,9.12,1.1,(-9.74,4.62,;-9.74,3.08,;-11.07,2.31,;-8.41,2.31,;-8.41,.77,;-7.07,3.08,;-5.74,2.31,;-4.41,3.08,;-3.07,2.31,;-3.07,.77,;-4.41,,;-5.74,.77,;-1.74,,;-1.74,-1.54,;-3.07,-2.31,;-3.07,-3.85,;-1.74,-4.62,;-.4,-3.85,;1.06,-4.33,;1.97,-3.08,;1.06,-1.83,;1.46,-.35,;.37,.74,;2.95,.05,;4.03,-1.04,;5.52,-.64,;5.92,.85,;7.41,1.25,;8.5,.16,;8.1,-1.33,;9.19,-2.42,;10.68,-2.02,;11.07,-.53,;9.99,.56,;4.83,1.94,;3.34,1.54,;-.4,-2.31,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499991 (US11020398, Compound I-360e | racemic-cis-(2-chlor...) Show SMILES CN1[C@H](CO)CCC[C@@H]1CNc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.07	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Purified full-length inactive BTK (wild type and C481 mutant, N-terminal 6XHIS tagged BTK, Mwt=78.2 kDa) were activated using soluble inositol hexaki...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499854 ((4-(((3R,6S)-6-((S)-1- aminoethyl)tetrahydro-2H-py...) Show SMILES C[C@H](N)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
ArQule, Inc. US Patent					Assay Description Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499892 (N-((S)-1-((2S,5R)-5-((5-(2-methyl-4- phenoxybenzoy...) Show SMILES C[C@H](NC(C)=O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3C)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499881 ((S)-N-(cis-4-((5-(2-chloro-4- phenoxybenzoyl)-7H-p...) Show SMILES C[C@H](O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:9.12,6.5,1.1,(-9.05,4.07,;-9.05,2.53,;-10.38,1.76,;-7.72,1.76,;-7.72,.22,;-6.38,2.53,;-5.05,1.76,;-3.72,2.53,;-2.38,1.76,;-2.38,.22,;-3.72,-.55,;-5.05,.22,;-1.05,-.55,;-1.05,-2.09,;-2.38,-2.86,;-2.38,-4.4,;-1.05,-5.17,;.29,-4.4,;1.75,-4.87,;2.66,-3.63,;1.75,-2.38,;2.15,-.89,;1.06,.2,;3.64,-.49,;4.03,.99,;5.52,1.39,;6.61,.3,;8.1,.7,;8.5,2.19,;9.99,2.59,;10.38,4.08,;9.29,5.17,;7.81,4.77,;7.41,3.28,;6.21,-1.18,;4.73,-1.58,;4.33,-3.07,;.29,-2.86,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499839 (N-(cis-4-((5-(2-chloro-4- phenoxybenzoyl)-7H-pyrro...) Show SMILES CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:4.3,7.10,(-10.41,3.85,;-9.07,3.08,;-9.07,1.54,;-7.74,3.85,;-6.41,3.08,;-5.07,3.85,;-3.74,3.08,;-3.74,1.54,;-5.07,.77,;-6.41,1.54,;-2.41,.77,;-2.41,-.77,;-3.74,-1.54,;-3.74,-3.08,;-2.41,-3.85,;-1.07,-3.08,;.39,-3.56,;1.3,-2.31,;.39,-1.06,;.79,.42,;-.3,1.51,;2.28,.82,;3.37,-.27,;4.86,.13,;5.25,1.62,;6.74,2.02,;7.83,.93,;7.43,-.56,;8.52,-1.65,;10.01,-1.25,;10.41,.24,;9.32,1.33,;4.17,2.71,;2.68,2.31,;1.59,3.4,;-1.07,-1.54,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
ArQule, Inc. US Patent					Assay Description Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499855 ((2-chloro-4-phenoxyphenyl)(4- (((3R,6S)-6-((S)-1- ...) Show SMILES C[C@@H]([C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12)N(C)C |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
ArQule, Inc. US Patent					Assay Description Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499888 ((2-chloro-4-phenoxyphenyl)(4-((cis-4- hydroxy-4-me...) Show SMILES C[C@@]1(O)CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:5.8,1.1,wD:1.0,(-8.04,4.21,;-7.64,2.72,;-9.18,2.72,;-7.64,1.18,;-6.3,.41,;-4.97,1.18,;-4.97,2.72,;-6.3,3.49,;-3.64,.41,;-3.64,-1.13,;-4.97,-1.9,;-4.97,-3.44,;-3.64,-4.21,;-2.3,-3.44,;-.84,-3.91,;.07,-2.67,;-.84,-1.42,;-.44,.06,;-1.53,1.15,;1.05,.46,;2.14,-.63,;3.63,-.23,;4.02,1.26,;5.51,1.66,;6.6,.57,;8.09,.97,;9.18,-.12,;8.78,-1.61,;7.29,-2.01,;6.2,-.92,;2.93,2.35,;1.45,1.95,;.36,3.04,;-2.3,-1.9,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499891 (2-hydroxy-2-methyl-N-(cis-4-((5-(4- phenoxybenzoyl...) Show SMILES CC(C)(O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:7.6,10.13,(-10.51,4.52,;-9.74,3.18,;-8.97,4.52,;-11.07,2.41,;-8.41,2.41,;-8.41,.87,;-7.07,3.18,;-5.74,2.41,;-4.41,3.18,;-3.07,2.41,;-3.07,.87,;-4.41,.1,;-5.74,.87,;-1.74,.1,;-1.74,-1.44,;-3.07,-2.21,;-3.07,-3.75,;-1.74,-4.52,;-.4,-3.75,;1.06,-4.22,;1.97,-2.98,;1.06,-1.73,;1.46,-.24,;.37,.85,;2.95,.16,;4.03,-.93,;5.52,-.54,;5.92,.95,;7.41,1.35,;8.5,.26,;8.1,-1.23,;9.19,-2.31,;10.68,-1.92,;11.07,-.43,;9.99,.66,;4.83,2.04,;3.34,1.64,;-.4,-2.21,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499882 (N-(cis-4-((5-(2-chloro-4- phenoxybenzoyl)-7H-pyrro...) Show SMILES CC(C)(O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:10.13,7.6,(-9.82,3.87,;-9.05,2.53,;-8.28,3.87,;-10.38,1.76,;-7.72,1.76,;-7.72,.22,;-6.38,2.53,;-5.05,1.76,;-3.72,2.53,;-2.38,1.76,;-2.38,.22,;-3.72,-.55,;-5.05,.22,;-1.05,-.55,;-1.05,-2.09,;-2.38,-2.86,;-2.38,-4.4,;-1.05,-5.17,;.29,-4.4,;1.75,-4.87,;2.66,-3.63,;1.75,-2.38,;2.15,-.89,;1.06,.2,;3.64,-.49,;4.03,.99,;5.52,1.39,;6.61,.3,;8.1,.7,;8.5,2.19,;9.99,2.59,;10.38,4.08,;9.29,5.17,;7.81,4.77,;7.41,3.28,;6.21,-1.18,;4.73,-1.58,;4.33,-3.07,;.29,-2.86,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499889 ((2-chloro-4-phenoxyphenyl)(4-((trans- 4-hydroxy-4-...) Show SMILES C[C@]1(O)CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:5.8,1.0,wD:1.1,(-8.06,4.21,;-7.66,2.72,;-9.15,2.32,;-7.66,1.18,;-6.33,.41,;-5,1.18,;-5,2.72,;-6.33,3.49,;-3.66,.41,;-3.66,-1.13,;-5,-1.9,;-5,-3.44,;-3.66,-4.21,;-2.33,-3.44,;-.86,-3.91,;.04,-2.67,;-.86,-1.42,;-.46,.06,;-1.55,1.15,;1.02,.46,;2.11,-.63,;3.6,-.23,;4,1.26,;5.49,1.66,;6.57,.57,;8.06,.97,;9.15,-.12,;8.75,-1.61,;7.26,-2.01,;6.18,-.92,;2.91,2.35,;1.42,1.95,;.33,3.04,;-2.33,-1.9,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499870 ((2-chloro-4-(3- fluorophenoxy)phenyl)(4-(((3R,6S)-...) Show SMILES C[C@@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4cccc(F)c4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499893 (N-(((2S,5R)-5-((5-(4-phenoxybenzoyl)- 7H-pyrrolo[2...) Show SMILES CC(=O)NC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499885 ((4-(((3R,6S)-6-((R)-1- hydroxyethyl)tetrahydro-2H-...) Show SMILES C[C@@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3C)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499815 (N-(((2S,5R)-5-((5-(2-chloro-4- phenoxybenzoyl)-7H-...) Show SMILES CC(=O)NC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.63	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499857 ((2-chloro-4-phenoxyphenyl)(4-((trans- 4-hydroxycyc...) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:4.7,wD:1.0,(-9.07,3.85,;-7.74,3.08,;-7.74,1.54,;-6.41,.77,;-5.07,1.54,;-5.07,3.08,;-6.41,3.85,;-3.74,.77,;-3.74,-.77,;-5.07,-1.54,;-5.07,-3.08,;-3.74,-3.85,;-2.41,-3.08,;-.94,-3.56,;-.04,-2.31,;-.94,-1.06,;-.54,.42,;-1.63,1.51,;.95,.82,;2.03,-.27,;3.52,.13,;3.92,1.62,;5.41,2.02,;6.5,.93,;6.1,-.56,;7.19,-1.65,;8.67,-1.25,;9.07,.24,;7.98,1.33,;2.83,2.71,;1.34,2.31,;.26,3.4,;-2.41,-1.54,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499865 ((2-chloro-4-phenoxyphenyl)(4-((trans- 4-((dimethyl...) Show SMILES CN(C)C[C@]1(O)CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:4.3,8.11,wD:4.4,(-8.38,.22,;-8.38,1.76,;-9.72,2.53,;-7.05,2.53,;-5.72,1.76,;-5.72,3.3,;-5.72,.22,;-4.38,-.55,;-3.05,.22,;-3.05,1.76,;-4.38,2.53,;-1.71,-.55,;-1.71,-2.09,;-3.05,-2.86,;-3.05,-4.4,;-1.71,-5.17,;-.38,-4.4,;1.08,-4.87,;1.99,-3.63,;1.08,-2.38,;1.48,-.89,;.39,.2,;2.97,-.49,;4.06,-1.58,;5.55,-1.18,;5.94,.3,;7.43,.7,;7.83,2.19,;9.32,2.59,;9.72,4.08,;8.63,5.17,;7.14,4.77,;6.74,3.28,;4.86,1.39,;3.37,.99,;2.28,2.08,;-.38,-2.86,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499876 ((2-chloro-4-phenoxyphenyl)(4- (((3R,6S)-6-(2-hydro...) Show SMILES CC(C)(O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499867 (US11020398, Compound I-179 | rac-(2-chloro-4-pheno...) Show SMILES O[C@@H]1CC[C@@H](C[C@@H]1O)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499894 ((R)-2-hydroxy-N-(cis-4-((5-(4- phenoxybenzoyl)-7H-...) Show SMILES C[C@@H](O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:6.5,9.12,wD:1.1,(-9.74,4.62,;-9.74,3.08,;-11.07,2.31,;-8.41,2.31,;-8.41,.77,;-7.07,3.08,;-5.74,2.31,;-4.41,3.08,;-3.07,2.31,;-3.07,.77,;-4.41,,;-5.74,.77,;-1.74,,;-1.74,-1.54,;-3.07,-2.31,;-3.07,-3.85,;-1.74,-4.62,;-.4,-3.85,;1.06,-4.33,;1.97,-3.08,;1.06,-1.83,;1.46,-.35,;.37,.74,;2.95,.05,;4.03,-1.04,;5.52,-.64,;5.92,.85,;7.41,1.25,;8.5,.16,;9.99,.56,;11.07,-.53,;10.68,-2.02,;9.19,-2.42,;8.1,-1.33,;4.83,1.94,;3.34,1.54,;-.4,-2.31,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499868 (US11020398, Compound I-180 | rac-(2-chloro-4-pheno...) Show SMILES O[C@H]1CC[C@@H](C[C@H]1O)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50536168 (CHEMBL4574111) Show SMILES Cl.Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C27H25N7/c28-19-5-1-4-17(16-19)22-11-12-23-26(32-22)34(25(33-23)21-6-2-15-31-24(21)29)20-9-7-18(8-10-20)27(30)13-3-14-27/h1-2,4-12,15-16H,3,13-14,28,30H2,(H2,29,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of full length unphosphorylated AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-...				J Med Chem 59: 6455-69 (2016) Article DOI: 10.1021/acs.jmedchem.6b00619 BindingDB Entry DOI: 10.7270/Q2RN3CCM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499739 (1-(cis-4-((5-(2-chlorobenzoyl)-7H- pyrrolo[2,3-d]p...) Show SMILES Clc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@H]3CC[C@H](CC3)N3CCCC3=O)c12 |r,wU:18.18,21.25,(5.46,-2.49,;5.86,-1,;7.34,-.6,;7.74,.89,;6.65,1.98,;5.17,1.58,;4.77,.09,;3.28,-.31,;2.19,.78,;2.88,-1.8,;3.79,-3.04,;2.88,-4.29,;1.42,-3.81,;.08,-4.58,;-1.25,-3.81,;-1.25,-2.27,;.08,-1.5,;.08,.04,;-1.25,.81,;-2.58,.04,;-3.92,.81,;-3.92,2.35,;-2.58,3.12,;-1.25,2.35,;-5.25,3.12,;-5.73,4.58,;-7.27,4.58,;-7.74,3.12,;-6.5,2.21,;-6.5,.67,;1.42,-2.27,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
ArQule, Inc. US Patent					Assay Description Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499904 ((R)-N-(((2S,5R)-5-((5-(2-chloro-4- phenoxybenzoyl)...) Show SMILES C[C@@H](O)C(=O)NC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499898 ((S)-N-(((2S,5R)-5-((5-(2-chloro-4- phenoxybenzoyl)...) Show SMILES C[C@H](O)C(=O)NC[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499790 (N-(cis-4-((5-(2-chlorobenzoyl)-7H- pyrrolo[2,3-d]p...) Show SMILES OC1(CC1)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:7.7,10.14,(-6.29,4.52,;-7.06,3.18,;-7.83,4.52,;-8.6,3.18,;-5.73,2.41,;-5.73,.87,;-4.39,3.18,;-3.06,2.41,;-1.73,3.18,;-.39,2.41,;-.39,.87,;-1.73,.1,;-3.06,.87,;.94,.1,;.94,-1.44,;-.39,-2.21,;-.39,-3.75,;.94,-4.52,;2.27,-3.75,;3.74,-4.22,;4.64,-2.98,;3.74,-1.73,;4.14,-.24,;3.05,.85,;5.63,.16,;6.02,1.64,;7.51,2.04,;8.6,.95,;8.2,-.54,;6.71,-.93,;6.32,-2.42,;2.27,-2.21,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
ArQule, Inc. US Patent					Assay Description Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499731 ((2-chlorophenyl)(4-((cis-4- (methylamino)cyclohexy...) Show SMILES CN[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:2.1,5.8,(-7.16,3.08,;-5.83,3.85,;-4.5,3.08,;-3.16,3.85,;-1.83,3.08,;-1.83,1.54,;-3.16,.77,;-4.5,1.54,;-.5,.77,;-.5,-.77,;-1.83,-1.54,;-1.83,-3.08,;-.5,-3.85,;.84,-3.08,;2.3,-3.56,;3.21,-2.31,;2.3,-1.06,;2.7,.42,;1.61,1.51,;4.19,.82,;4.59,2.31,;6.08,2.71,;7.16,1.62,;6.77,.13,;5.28,-.27,;4.88,-1.75,;.84,-1.54,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia 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
ArQule, Inc. US Patent					Assay Description Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499866 ((2-chloro-4-phenoxyphenyl)(4-((cis-4- ((dimethylam...) Show SMILES CN(C)C[C@@]1(O)CC[C@@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:8.11,4.4,wD:4.3,(-8.38,.22,;-8.38,1.76,;-9.72,2.53,;-7.05,2.53,;-5.72,1.76,;-5.72,3.3,;-5.72,.22,;-4.38,-.55,;-3.05,.22,;-3.05,1.76,;-4.38,2.53,;-1.71,-.55,;-1.71,-2.09,;-3.05,-2.86,;-3.05,-4.4,;-1.71,-5.17,;-.38,-4.4,;1.08,-4.87,;1.99,-3.63,;1.08,-2.38,;1.48,-.89,;.39,.2,;2.97,-.49,;4.06,-1.58,;5.55,-1.18,;5.94,.3,;7.43,.7,;7.83,2.19,;9.32,2.59,;9.72,4.08,;8.63,5.17,;7.14,4.77,;6.74,3.28,;4.86,1.39,;3.37,.99,;2.28,2.08,;-.38,-2.86,)| Show InChI	PDB MMDB NCI pathway Reactome pathway 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
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499757 ((2-chlorophenyl)(4-((cis-4-(pyrrolidin- 1-yl)cyclo...) Show SMILES Clc1ccccc1C(=O)c1c[nH]c2ncnc(N[C@H]3CC[C@H](CC3)N3CCCC3)c12 |r,wU:21.25,18.18,(4.02,2.39,;5.11,1.3,;6.59,1.7,;7.68,.61,;7.28,-.88,;5.8,-1.27,;4.71,-.19,;3.22,-.58,;2.13,.5,;2.82,-2.07,;3.73,-3.32,;2.82,-4.56,;1.36,-4.09,;.02,-4.86,;-1.31,-4.09,;-1.31,-2.55,;.02,-1.78,;.02,-.24,;-1.31,.53,;-2.64,-.24,;-3.98,.53,;-3.98,2.07,;-2.64,2.84,;-1.31,2.07,;-5.31,2.84,;-5.31,4.38,;-6.78,4.86,;-7.68,3.61,;-6.78,2.37,;1.36,-2.55,)| Show InChI	PDB MMDB NCI pathway Reactome pathway 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
ArQule, Inc. US Patent					Assay Description Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499829 ((4-((cis-4-aminocyclohexyl)amino)-7H- pyrrolo[2,3-...) Show SMILES N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r,wU:1.0,4.7,(-9.07,3.85,;-7.74,3.08,;-6.41,3.85,;-5.07,3.08,;-5.07,1.54,;-6.41,.77,;-7.74,1.54,;-3.74,.77,;-3.74,-.77,;-5.07,-1.54,;-5.07,-3.08,;-3.74,-3.85,;-2.41,-3.08,;-.94,-3.56,;-.04,-2.31,;-.94,-1.06,;-.54,.42,;-1.63,1.51,;.95,.82,;2.03,-.27,;3.52,.13,;3.92,1.62,;5.41,2.02,;6.5,.93,;6.1,-.56,;7.19,-1.65,;8.67,-1.25,;9.07,.24,;7.98,1.33,;2.83,2.71,;1.34,2.31,;.26,3.4,;-2.41,-1.54,)| Show InChI	PDB MMDB NCI pathway Reactome pathway 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
ArQule, Inc. US Patent					Assay Description Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499883 (N-((R)-1-((2S,5R)-5-((5-(2-chloro-4- phenoxybenzoy...) Show SMILES C[C@@H](NC(C)=O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway 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
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499871 ((2-chloro-4-(3- chlorophenoxy)phenyl)(4-(((3R,6S)-...) Show SMILES C[C@@H](O)[C@@H]1CC[C@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4cccc(Cl)c4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway 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
ArQule, Inc. US Patent					Assay Description The active BTK assay consisted of phosphorylated form of full length BTK. The assay was performed in a buffer solution utilized in the inactive BTK a...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50536169 (CHEMBL4519558) Show SMILES Cl.CC(=O)Nc1cccc(c1)-c1ccc2nc(-c3cccnc3N)n(-c3ccc(cc3)C3(N)CCC3)c2n1 Show InChI InChI=1S/C29H27N7O/c1-18(37)33-21-6-2-5-19(17-21)24-12-13-25-28(34-24)36(27(35-25)23-7-3-16-32-26(23)30)22-10-8-20(9-11-22)29(31)14-4-15-29/h2-3,5-13,16-17H,4,14-15,31H2,1H3,(H2,30,32)(H,33,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
ArQule Inc. Curated by ChEMBL					Assay Description Inhibition of full length active AKT1 (1 to 480 residues) (unknown origin) expressed in baculovirus infected Sf9 insect cells using biotin-GRPRTSSFAE...				J Med Chem 59: 6455-69 (2016) Article DOI: 10.1021/acs.jmedchem.6b00619 BindingDB Entry DOI: 10.7270/Q2RN3CCM
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499773 ((S)-N-(cis-4-((5-(2-chlorobenzoyl)-7H- pyrrolo[2,3...) Show SMILES C[C@H](O)C(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccccc3Cl)c12 |r,wU:6.5,9.12,1.1,(-7.16,4.62,;-7.16,3.08,;-8.5,2.31,;-5.83,2.31,;-5.83,.77,;-4.5,3.08,;-3.16,2.31,;-1.83,3.08,;-.5,2.31,;-.5,.77,;-1.83,,;-3.16,.77,;.84,,;.84,-1.54,;-.5,-2.31,;-.5,-3.85,;.84,-4.62,;2.17,-3.85,;3.64,-4.33,;4.54,-3.08,;3.64,-1.83,;4.03,-.35,;2.95,.74,;5.52,.05,;5.92,1.54,;7.41,1.94,;8.5,.85,;8.1,-.64,;6.61,-1.04,;6.21,-2.52,;2.17,-2.31,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499827 (N-(cis-4-((5-(4-phenoxybenzoyl)-7H- pyrrolo[2,3-d]...) Show SMILES CC(=O)N[C@H]1CC[C@H](CC1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3)c12 |r,wU:4.3,7.10,(-10.41,3.85,;-9.07,3.08,;-9.07,1.54,;-7.74,3.85,;-6.41,3.08,;-5.07,3.85,;-3.74,3.08,;-3.74,1.54,;-5.07,.77,;-6.41,1.54,;-2.41,.77,;-2.41,-.77,;-3.74,-1.54,;-3.74,-3.08,;-2.41,-3.85,;-1.07,-3.08,;.39,-3.56,;1.3,-2.31,;.39,-1.06,;.79,.42,;-.3,1.51,;2.28,.82,;3.37,-.27,;4.86,.13,;5.25,1.62,;6.74,2.02,;7.83,.93,;7.43,-.56,;8.52,-1.65,;10.01,-1.25,;10.41,.24,;9.32,1.33,;4.17,2.71,;2.68,2.31,;-1.07,-1.54,)| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Full length unphosphorylated form of BTK expressed in Sf9 cells was employed to test inhibitory activity in the inactive BTK assay. The assay was mea...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499814 ((2-chloro-4-phenoxyphenyl)(4- (((3S,6S)-6-(hydroxy...) Show SMILES OC[C@@H]1CC[C@@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM499814 ((2-chloro-4-phenoxyphenyl)(4- (((3S,6S)-6-(hydroxy...) Show SMILES OC[C@@H]1CC[C@@H](CO1)Nc1ncnc2[nH]cc(C(=O)c3ccc(Oc4ccccc4)cc3Cl)c12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
ArQule, Inc. US Patent					Assay Description Enzyme assay using full length recombinant active form of wild-type BTK and BTK-C481S was measured as described previously (Anastassiadis T, et al., ...				US Patent US11020398 (2021) BindingDB Entry DOI: 10.7270/Q2DZ0CFC
					More data for this Ligand-Target Pair

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