Compile Data Set for Download or QSAR

Found 298 hits Enz. Inhib. hit(s) with all data for entry = 8696   

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 (Homo sapiens (Human))	BDBM291388 ((R)-1-(3-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-...) Show SMILES Nc1ncnc(N[C@@H]2CCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C23H23N5O2/c1-2-20(29)28-13-12-17(14-28)27-23-21(22(24)25-15-26-23)16-8-10-19(11-9-16)30-18-6-4-3-5-7-18/h2-11,15,17H,1,12-14H2,(H3,24,25,26,27)/t17-/m1/s1	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291573 (N-(3-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)a...) Show SMILES Nc1ncnc(Nc2cccc(NC(=O)C=C)c2)c1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H21N5O2/c1-2-22(31)29-18-7-6-8-19(15-18)30-25-23(24(26)27-16-28-25)17-11-13-21(14-12-17)32-20-9-4-3-5-10-20/h2-16H,1H2,(H,29,31)(H3,26,27,28,30)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291628 ((R)-1-(3-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4...) Show SMILES Nc1ncnc(NC[C@H]2CCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C24H25N5O2/c1-2-21(30)29-13-12-17(15-29)14-26-24-22(23(25)27-16-28-24)18-8-10-20(11-9-18)31-19-6-4-3-5-7-19/h2-11,16-17H,1,12-15H2,(H3,25,26,27,28)/t17-/m1/s1	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291646 (1-(4-(((5-(4-phenoxyphenyl)pyrimidin-4-yl)oxy)meth...) Show SMILES C=CC(=O)N1CCC(COc2ncncc2-c2ccc(Oc3ccccc3)cc2)CC1 Show InChI InChI=1S/C25H25N3O3/c1-2-24(29)28-14-12-19(13-15-28)17-30-25-23(16-26-18-27-25)20-8-10-22(11-9-20)31-21-6-4-3-5-7-21/h2-11,16,18-19H,1,12-15,17H2	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291677 (1-(4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)...) Show SMILES CC#CC(=O)N1CCC(COc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CC1 Show InChI InChI=1S/C26H26N4O3/c1-2-6-23(31)30-15-13-19(14-16-30)17-32-26-24(25(27)28-18-29-26)20-9-11-22(12-10-20)33-21-7-4-3-5-8-21/h3-5,7-12,18-19H,13-17H2,1H3,(H2,27,28,29)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291389 (5-(4-phenoxyphenyl)-N4-((1-(vinylsulfonyl)piperidi...) Show SMILES Nc1ncnc(NCC2CCN(CC2)S(=O)(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H27N5O3S/c1-2-33(30,31)29-14-12-18(13-15-29)16-26-24-22(23(25)27-17-28-24)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,25,26,27,28)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291448 (1-(3-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)...) Show SMILES Nc1ncnc(OCC2CCCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H26N4O3/c1-2-22(30)29-14-6-7-18(15-29)16-31-25-23(24(26)27-17-28-25)19-10-12-21(13-11-19)32-20-8-4-3-5-9-20/h2-5,8-13,17-18H,1,6-7,14-16H2,(H2,26,27,28)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291469 ((R)-1-(3-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-...) Show SMILES Nc1ncnc(O[C@@H]2CCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C23H22N4O3/c1-2-20(28)27-13-12-19(14-27)30-23-21(22(24)25-15-26-23)16-8-10-18(11-9-16)29-17-6-4-3-5-7-17/h2-11,15,19H,1,12-14H2,(H2,24,25,26)/t19-/m1/s1	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291491 (1-(3-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)...) Show SMILES Nc1ncnc(OCC2CCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H24N4O3/c1-2-21(29)28-13-12-17(14-28)15-30-24-22(23(25)26-16-27-24)18-8-10-20(11-9-18)31-19-6-4-3-5-7-19/h2-11,16-17H,1,12-15H2,(H2,25,26,27)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291532 ((S)-1-(3-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4...) Show SMILES Nc1ncnc(OC[C@H]2CCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C24H24N4O3/c1-2-21(29)28-13-12-17(14-28)15-30-24-22(23(25)26-16-27-24)18-8-10-20(11-9-18)31-19-6-4-3-5-7-19/h2-11,16-17H,1,12-15H2,(H2,25,26,27)/t17-/m0/s1	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291554 ((S)-1-(3-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4...) Show SMILES Nc1ncnc(NC[C@@H]2CCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C24H25N5O2/c1-2-21(30)29-13-12-17(15-29)14-26-24-22(23(25)27-16-28-24)18-8-10-20(11-9-18)31-19-6-4-3-5-7-19/h2-11,16-17H,1,12-15H2,(H3,25,26,27,28)/t17-/m0/s1	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291610 (1-(4-(((6-amino-5-(4-(3-fluorophenoxy)phenyl)pyrim...) Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2cccc(F)c2)cc1 Show InChI InChI=1S/C25H26FN5O2/c1-2-22(32)31-12-10-17(11-13-31)15-28-25-23(24(27)29-16-30-25)18-6-8-20(9-7-18)33-21-5-3-4-19(26)14-21/h2-9,14,16-17H,1,10-13,15H2,(H3,27,28,29,30)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291625 (1-(4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)...) Show SMILES Nc1ncnc(NCC2(O)CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H27N5O3/c1-2-21(31)30-14-12-25(32,13-15-30)16-27-24-22(23(26)28-17-29-24)18-8-10-20(11-9-18)33-19-6-4-3-5-7-19/h2-11,17,32H,1,12-16H2,(H3,26,27,28,29)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291554 ((S)-1-(3-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4...) Show SMILES Nc1ncnc(NC[C@@H]2CCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C24H25N5O2/c1-2-21(30)29-13-12-17(15-29)14-26-24-22(23(25)27-16-28-24)18-8-10-20(11-9-18)31-19-6-4-3-5-7-19/h2-11,16-17H,1,12-15H2,(H3,25,26,27,28)/t17-/m0/s1	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291630 (1-(4-(((6-amino-5-(4-benzylphenyl)pyrimidin-4-yl)a...) Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Cc2ccccc2)cc1 Show InChI InChI=1S/C26H29N5O/c1-2-23(32)31-14-12-21(13-15-31)17-28-26-24(25(27)29-18-30-26)22-10-8-20(9-11-22)16-19-6-4-3-5-7-19/h2-11,18,21H,1,12-17H2,(H3,27,28,29,30)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291634 (1-(4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)...) Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)CCl)c1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H26ClN5O2/c25-14-21(31)30-12-10-17(11-13-30)15-27-24-22(23(26)28-16-29-24)18-6-8-20(9-7-18)32-19-4-2-1-3-5-19/h1-9,16-17H,10-15H2,(H3,26,27,28,29)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291635 (1-(4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)...) Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C#C)c1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H25N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h1,3-11,17-18H,12-16H2,(H3,26,27,28,29)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291637 (1-(3-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)...) Show SMILES Nc1ncnc(NCC2CC3CCC(C2)N3C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C27H29N5O2/c1-2-24(33)32-20-10-11-21(32)15-18(14-20)16-29-27-25(26(28)30-17-31-27)19-8-12-23(13-9-19)34-22-6-4-3-5-7-22/h2-9,12-13,17-18,20-21H,1,10-11,14-16H2,(H3,28,29,30,31)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291452 (N-((1R,3S)-3-((6-amino-5-(4-phenoxyphenyl)pyrimidi...) Show SMILES Nc1ncnc(N[C@H]2CCC[C@H](C2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C25H27N5O2/c1-2-22(31)29-18-7-6-8-19(15-18)30-25-23(24(26)27-16-28-25)17-11-13-21(14-12-17)32-20-9-4-3-5-10-20/h2-5,9-14,16,18-19H,1,6-8,15H2,(H,29,31)(H3,26,27,28,30)/t18-,19+/m1/s1	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291641 (1-(3-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)a...) Show SMILES Nc1ncnc(NC2CCCCN(C2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H27N5O2/c1-2-22(31)30-15-7-6-8-19(16-30)29-25-23(24(26)27-17-28-25)18-11-13-21(14-12-18)32-20-9-4-3-5-10-20/h2-5,9-14,17,19H,1,6-8,15-16H2,(H3,26,27,28,29)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291644 (N-(3-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)o...) Show SMILES Nc1ncnc(Oc2cccc(NS(=O)(=O)C=C)c2)c1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H20N4O4S/c1-2-33(29,30)28-18-7-6-10-21(15-18)32-24-22(23(25)26-16-27-24)17-11-13-20(14-12-17)31-19-8-4-3-5-9-19/h2-16,28H,1H2,(H2,25,26,27)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291647 (N-(5-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)o...) Show SMILES Nc1ncnc(Oc2cncc(NC(=O)C=C)c2)c1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H19N5O3/c1-2-21(30)29-17-12-20(14-26-13-17)32-24-22(23(25)27-15-28-24)16-8-10-19(11-9-16)31-18-6-4-3-5-7-18/h2-15H,1H2,(H,29,30)(H2,25,27,28)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291648 ((R)-1-(3-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4...) Show SMILES Nc1ncnc(NC[C@H]2CCN(C2)C(=O)C#C)c1-c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C24H23N5O2/c1-2-21(30)29-13-12-17(15-29)14-26-24-22(23(25)27-16-28-24)18-8-10-20(11-9-18)31-19-6-4-3-5-7-19/h1,3-11,16-17H,12-15H2,(H3,25,26,27,28)/t17-/m1/s1	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291651 (N-(cis-3-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-...) Show SMILES Nc1ncnc(N[C@H]2CCC[C@H](C2)NC(=O)C#C)c1-c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C25H25N5O2/c1-2-22(31)29-18-7-6-8-19(15-18)30-25-23(24(26)27-16-28-25)17-11-13-21(14-12-17)32-20-9-4-3-5-10-20/h1,3-5,9-14,16,18-19H,6-8,15H2,(H,29,31)(H3,26,27,28,30)/t18-,19+/m1/s1	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291652 ((S)-1-(2-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4...) Show SMILES Nc1ncnc(OC[C@@H]2CN(CCO2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C24H24N4O4/c1-2-21(29)28-12-13-30-20(14-28)15-31-24-22(23(25)26-16-27-24)17-8-10-19(11-9-17)32-18-6-4-3-5-7-18/h2-11,16,20H,1,12-15H2,(H2,25,26,27)/t20-/m0/s1	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291653 ((R)-1-(2-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4...) Show SMILES Nc1ncnc(OC[C@H]2CN(CCO2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C24H24N4O4/c1-2-21(29)28-12-13-30-20(14-28)15-31-24-22(23(25)26-16-27-24)17-8-10-19(11-9-17)32-18-6-4-3-5-7-18/h2-11,16,20H,1,12-15H2,(H2,25,26,27)/t20-/m1/s1	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291654 (N-(3-((6-amino-5-(1-(3-fluorobenzyl)-1H-pyrazol-4-...) Show SMILES Nc1ncnc(Oc2cccc(NC(=O)C=C)c2)c1-c1cnn(Cc2cccc(F)c2)c1 Show InChI InChI=1S/C23H19FN6O2/c1-2-20(31)29-18-7-4-8-19(10-18)32-23-21(22(25)26-14-27-23)16-11-28-30(13-16)12-15-5-3-6-17(24)9-15/h2-11,13-14H,1,12H2,(H,29,31)(H2,25,26,27)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291655 (1-(3-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)...) Show SMILES Nc1ncnc(NCC2CC3CCC(C2)N3C(=O)C#C)c1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C27H27N5O2/c1-2-24(33)32-20-10-11-21(32)15-18(14-20)16-29-27-25(26(28)30-17-31-27)19-8-12-23(13-9-19)34-22-6-4-3-5-7-22/h1,3-9,12-13,17-18,20-21H,10-11,14-16H2,(H3,28,29,30,31)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291658 (N-(3-((6-amino-5-(1-benzyl-1H-pyrazol-4-yl)pyrimid...) Show SMILES Nc1ncnc(Nc2cccc(NC(=O)C=C)c2)c1-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C23H21N7O/c1-2-20(31)28-18-9-6-10-19(11-18)29-23-21(22(24)25-15-26-23)17-12-27-30(14-17)13-16-7-4-3-5-8-16/h2-12,14-15H,1,13H2,(H,28,31)(H3,24,25,26,29)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291660 (N-(3-((6-amino-5-(1-(4-methoxybenzyl)-1H-pyrazol-4...) Show SMILES COc1ccc(Cn2cc(cn2)-c2c(N)ncnc2Oc2cccc(NC(=O)C=C)c2)cc1 Show InChI InChI=1S/C24H22N6O3/c1-3-21(31)29-18-5-4-6-20(11-18)33-24-22(23(25)26-15-27-24)17-12-28-30(14-17)13-16-7-9-19(32-2)10-8-16/h3-12,14-15H,1,13H2,2H3,(H,29,31)(H2,25,26,27)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291663 (1-(trans-3-((6-amino-5-(4-phenoxyphenyl)pyrimidin-...) Show SMILES Nc1ncnc(N[C@H]2CN(C[C@@H]2O)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C23H23N5O3/c1-2-20(30)28-12-18(19(29)13-28)27-23-21(22(24)25-14-26-23)15-8-10-17(11-9-15)31-16-6-4-3-5-7-16/h2-11,14,18-19,29H,1,12-13H2,(H3,24,25,26,27)/t18-,19-/m0/s1	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291676 (1-(4-(((6-amino-5-(2,3-difluoro-4-phenoxyphenyl)py...) Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2ccccc2)c(F)c1F |(-1.33,-6.93,;-2.67,-6.16,;-4,-6.93,;-5.33,-6.16,;-5.33,-4.62,;-4,-3.85,;-4,-2.31,;-5.33,-1.54,;-5.33,,;-4,.77,;-4,2.31,;-5.33,3.08,;-6.67,2.31,;-6.67,.77,;-5.33,4.62,;-4,5.39,;-6.67,5.39,;-6.67,6.93,;-2.67,-4.62,;-1.33,-3.85,;-1.33,-2.31,;,-1.54,;1.33,-2.31,;2.67,-1.54,;4,-2.31,;4,-3.85,;5.33,-4.62,;6.67,-3.85,;6.67,-2.31,;5.33,-1.54,;1.33,-3.85,;2.67,-4.62,;,-4.62,;,-6.16,)| Show InChI InChI=1S/C25H25F2N5O2/c1-2-20(33)32-12-10-16(11-13-32)14-29-25-21(24(28)30-15-31-25)18-8-9-19(23(27)22(18)26)34-17-6-4-3-5-7-17/h2-9,15-16H,1,10-14H2,(H3,28,29,30,31)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291681 (1-(4-(((6-amino-5-(4-(3-(trifluoromethyl)phenoxy)p...) Show SMILES Nc1ncnc(NCC2CCN(CC2)C(=O)C=C)c1-c1ccc(Oc2cccc(c2)C(F)(F)F)cc1 Show InChI InChI=1S/C26H26F3N5O2/c1-2-22(35)34-12-10-17(11-13-34)15-31-25-23(24(30)32-16-33-25)18-6-8-20(9-7-18)36-21-5-3-4-19(14-21)26(27,28)29/h2-9,14,16-17H,1,10-13,15H2,(H3,30,31,32,33)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291684 (1-(4-(((6-amino-5-(4-(p-tolyloxy)phenyl)pyrimidin-...) Show SMILES Cc1ccc(Oc2ccc(cc2)-c2c(N)ncnc2NCC2CCN(CC2)C(=O)C=C)cc1 Show InChI InChI=1S/C26H29N5O2/c1-3-23(32)31-14-12-19(13-15-31)16-28-26-24(25(27)29-17-30-26)20-6-10-22(11-7-20)33-21-8-4-18(2)5-9-21/h3-11,17,19H,1,12-16H2,2H3,(H3,27,28,29,30)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291392 (1-(3-(2-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-y...) Show SMILES Nc1ncnc(NCCC2CN(C2)C(=O)C#C)c1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H23N5O2/c1-2-21(30)29-14-17(15-29)12-13-26-24-22(23(25)27-16-28-24)18-8-10-20(11-9-18)31-19-6-4-3-5-7-19/h1,3-11,16-17H,12-15H2,(H3,25,26,27,28)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291393 ((E)-1-(6-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-...) Show SMILES CN(C)C\C=C\C(=O)N1CC2(CC(C2)Oc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)C1 Show InChI InChI=1S/C28H31N5O3/c1-32(2)14-6-9-24(34)33-17-28(18-33)15-23(16-28)36-27-25(26(29)30-19-31-27)20-10-12-22(13-11-20)35-21-7-4-3-5-8-21/h3-13,19,23H,14-18H2,1-2H3,(H2,29,30,31)/b9-6+	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291394 (1-(6-((6-amino-5-(1-benzyl-1H-pyrazol-4-yl)pyrimid...) Show SMILES Nc1ncnc(OC2CC3(C2)CN(C3)C(=O)C=C)c1-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C23H24N6O2/c1-2-19(30)28-13-23(14-28)8-18(9-23)31-22-20(21(24)25-15-26-22)17-10-27-29(12-17)11-16-6-4-3-5-7-16/h2-7,10,12,15,18H,1,8-9,11,13-14H2,(H2,24,25,26)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291396 (1-(6-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)a...) Show SMILES CC#CC(=O)N1CC2(CC(C2)Nc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)C1 Show InChI InChI=1S/C26H25N5O2/c1-2-6-22(32)31-15-26(16-31)13-19(14-26)30-25-23(24(27)28-17-29-25)18-9-11-21(12-10-18)33-20-7-4-3-5-8-20/h3-5,7-12,17,19H,13-16H2,1H3,(H3,27,28,29,30)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291397 (1-((3S,4S)-4-(((6-amino-5-(1-benzyl-1H-pyrazol-4-y...) Show SMILES Nc1ncnc(NC[C@@H]2CCN(C[C@H]2O)C(=O)C=C)c1-c1cnn(Cc2ccccc2)c1 |r| Show InChI InChI=1S/C23H27N7O2/c1-2-20(32)29-9-8-17(19(31)14-29)10-25-23-21(22(24)26-15-27-23)18-11-28-30(13-18)12-16-6-4-3-5-7-16/h2-7,11,13,15,17,19,31H,1,8-10,12,14H2,(H3,24,25,26,27)/t17-,19+/m0/s1	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291399 (1-((3S,4S)-4-(((6-amino-5-(1-benzyl-1H-pyrazol-4-y...) Show SMILES Nc1ncnc(NC[C@@H]2CCN(C[C@H]2O)C(=O)C#C)c1-c1cnn(Cc2ccccc2)c1 |r| Show InChI InChI=1S/C23H25N7O2/c1-2-20(32)29-9-8-17(19(31)14-29)10-25-23-21(22(24)26-15-27-23)18-11-28-30(13-18)12-16-6-4-3-5-7-16/h1,3-7,11,13,15,17,19,31H,8-10,12,14H2,(H3,24,25,26,27)/t17-,19+/m0/s1	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291400 (1-(6-((6-amino-5-(1-benzyl-1H-pyrazol-4-yl)pyrimid...) Show SMILES Nc1ncnc(NC2CC3(C2)CN(C3)C(=O)C#C)c1-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C23H23N7O/c1-2-19(31)29-13-23(14-29)8-18(9-23)28-22-20(21(24)25-15-26-22)17-10-27-30(12-17)11-16-6-4-3-5-7-16/h1,3-7,10,12,15,18H,8-9,11,13-14H2,(H3,24,25,26,28)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291401 (1-(6-((6-amino-5-(1-benzyl-1H-pyrazol-4-yl)pyrimid...) Show SMILES Nc1ncnc(OC2CC3(C2)CN(C3)C(=O)C#C)c1-c1cnn(Cc2ccccc2)c1 Show InChI InChI=1S/C23H22N6O2/c1-2-19(30)28-13-23(14-28)8-18(9-23)31-22-20(21(24)25-15-26-22)17-10-27-29(12-17)11-16-6-4-3-5-7-16/h1,3-7,10,12,15,18H,8-9,11,13-14H2,(H2,24,25,26)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291402 (1-(2-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)a...) Show SMILES Nc1ncnc(N[C@H]2CC3(C2)CCN(C3)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r,wD:7.6,(.82,-5.93,;-.52,-5.16,;-1.85,-5.93,;-3.18,-5.16,;-3.18,-3.62,;-1.85,-2.85,;-1.85,-1.31,;-3.18,-.54,;-3.58,.94,;-5.07,.54,;-4.67,-.94,;-6.53,.07,;-7.44,1.31,;-6.53,2.56,;-5.07,2.08,;-6.93,4.05,;-5.84,5.14,;-8.42,4.45,;-8.82,5.93,;-.52,-3.62,;.82,-2.85,;2.15,-3.62,;3.48,-2.85,;3.48,-1.31,;4.82,-.54,;6.15,-1.31,;6.15,-2.85,;7.49,-3.62,;8.82,-2.85,;8.82,-1.31,;7.49,-.54,;2.15,-.54,;.82,-1.31,)| Show InChI InChI=1S/C26H27N5O2/c1-2-22(32)31-13-12-26(16-31)14-19(15-26)30-25-23(24(27)28-17-29-25)18-8-10-21(11-9-18)33-20-6-4-3-5-7-20/h2-11,17,19H,1,12-16H2,(H3,27,28,29,30)/t19-,26?	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291403 (1-(6-((6-amino-5-(4-(pyridin-4-yloxy)phenyl)pyrimi...) Show SMILES Nc1ncnc(OC2CC3(C2)CN(C3)C(=O)C=C)c1-c1ccc(Oc2ccncc2)cc1 Show InChI InChI=1S/C24H23N5O3/c1-2-20(30)29-13-24(14-29)11-19(12-24)32-23-21(22(25)27-15-28-23)16-3-5-17(6-4-16)31-18-7-9-26-10-8-18/h2-10,15,19H,1,11-14H2,(H2,25,27,28)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291404 (1-(2-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)a...) Show SMILES Nc1ncnc(NC2CC3(C2)CCN(C3)C(=O)C#C)c1-c1ccc(Oc2ccccc2)cc1 |(1.55,-5.46,;.21,-4.69,;-1.12,-5.46,;-2.45,-4.69,;-2.45,-3.15,;-1.12,-2.38,;-1.12,-.84,;-2.45,-.07,;-2.85,1.42,;-4.34,1.02,;-3.94,-.47,;-5.8,.54,;-6.71,1.79,;-5.8,3.04,;-4.34,2.56,;-6.57,4.37,;-5.49,5.46,;-8.06,4.77,;-9.55,5.17,;.21,-3.15,;1.55,-2.38,;2.88,-3.15,;4.21,-2.38,;4.21,-.84,;5.55,-.07,;6.88,-.84,;6.88,-2.38,;8.22,-3.15,;9.55,-2.38,;9.55,-.84,;8.22,-.07,;2.88,-.07,;1.55,-.84,)| Show InChI InChI=1S/C26H25N5O2/c1-2-22(32)31-13-12-26(16-31)14-19(15-26)30-25-23(24(27)28-17-29-25)18-8-10-21(11-9-18)33-20-6-4-3-5-7-20/h1,3-11,17,19H,12-16H2,(H3,27,28,29,30)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291406 (N-(1,3-trans-3-((6-amino-5-(4-phenoxyphenyl)pyrimi...) Show SMILES Nc1ncnc(N[C@H]2C[C@@H](C2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r,wU:9.11,wD:7.6,(-3.51,-1.9,;-3.11,-.41,;-4.2,.67,;-3.8,2.16,;-2.31,2.56,;-1.22,1.47,;.26,1.87,;.66,3.36,;1.99,4.13,;1.22,5.46,;-.11,4.69,;1.62,6.95,;3.11,7.35,;3.51,8.83,;4.2,6.26,;3.8,4.77,;-1.62,-.02,;-.53,-1.11,;-.93,-2.59,;.16,-3.68,;1.64,-3.28,;2.73,-4.37,;2.33,-5.86,;.85,-6.26,;.45,-7.75,;1.54,-8.83,;3.02,-8.44,;3.42,-6.95,;2.04,-1.8,;.95,-.71,)| Show InChI InChI=1S/C23H23N5O2/c1-2-20(29)27-16-12-17(13-16)28-23-21(22(24)25-14-26-23)15-8-10-19(11-9-15)30-18-6-4-3-5-7-18/h2-11,14,16-17H,1,12-13H2,(H,27,29)(H3,24,25,26,28)/t16-,17-	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291407 (N-((1,3-cis-3-((6-amino-5-(4-phenoxyphenyl)pyrimid...) Show SMILES Nc1ncnc(N[C@@H]2C[C@@H](C2)NC(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 |r,wU:7.6,9.11,(-3.51,-1.9,;-3.11,-.41,;-4.2,.67,;-3.8,2.16,;-2.31,2.56,;-1.22,1.47,;.26,1.87,;.66,3.36,;1.99,4.13,;1.22,5.46,;-.11,4.69,;1.62,6.95,;3.11,7.35,;3.51,8.83,;4.2,6.26,;3.8,4.77,;-1.62,-.02,;-.53,-1.11,;-.93,-2.59,;.16,-3.68,;1.64,-3.28,;2.73,-4.37,;2.33,-5.86,;.85,-6.26,;.45,-7.75,;1.54,-8.83,;3.02,-8.44,;3.42,-6.95,;2.04,-1.8,;.95,-.71,)| Show InChI InChI=1S/C23H23N5O2/c1-2-20(29)27-16-12-17(13-16)28-23-21(22(24)25-14-26-23)15-8-10-19(11-9-15)30-18-6-4-3-5-7-18/h2-11,14,16-17H,1,12-13H2,(H,27,29)(H3,24,25,26,28)/t16-,17+	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291408 (US10413562, Compound A119 | US9580449, Example A11...) Show SMILES Nc1ncnc(NC2CC3(C2)CN(C3)S(=O)(=O)CCCl)c1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H26ClN5O3S/c25-10-11-34(31,32)30-14-24(15-30)12-18(13-24)29-23-21(22(26)27-16-28-23)17-6-8-20(9-7-17)33-19-4-2-1-3-5-19/h1-9,16,18H,10-15H2,(H3,26,27,28,29)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291409 (1-(6-((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)o...) Show SMILES Nc1ncnc(OC2CC3(C2)CN(C3)C(=O)C=C)c1-c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C25H24N4O3/c1-2-21(30)29-14-25(15-29)12-20(13-25)32-24-22(23(26)27-16-28-24)17-8-10-19(11-9-17)31-18-6-4-3-5-7-18/h2-11,16,20H,1,12-15H2,(H2,26,27,28)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM291410 (1-(4-(((6-amino-5-(4-phenoxyphenyl)pyrimidin-4-yl)...) Show SMILES COC1(CNc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)CCN(CC1)C(=O)C=C Show InChI InChI=1S/C26H29N5O3/c1-3-22(32)31-15-13-26(33-2,14-16-31)17-28-25-23(24(27)29-18-30-25)19-9-11-21(12-10-19)34-20-7-5-4-6-8-20/h3-12,18H,1,13-17H2,2H3,(H3,27,28,29,30)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Patent GmbH US Patent					Assay Description 2.5× stocks of full-length human BTK (08-080) from CarnaBio USA, Inc., Natick, Mass., 1.6×ATP and appropriate kinKDR peptide substrate (FITC-AHA-EEPL...				US Patent US10413562 (2019) BindingDB Entry DOI: 10.7270/Q27M0B95
					More data for this Ligand-Target Pair

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