Compile Data Set for Download or QSAR

Found 190 hits Enz. Inhib. hit(s) with all data for entry = 2737   

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))	BDBM377836 (1-[(3R)-1-acryloyl piperidin-3-yl]-5-amino-3-[4-(4...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C24H24ClN5O3/c1-2-20(31)29-13-3-4-17(14-29)30-23(26)21(24(27)32)22(28-30)15-5-9-18(10-6-15)33-19-11-7-16(25)8-12-19/h2,5-12,17H,1,3-4,13-14,26H2,(H2,27,32)/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	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM303543 (US10138229, Example 54 | US10266513, Example 127 |...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C24H25N5O3/c1-2-20(30)28-14-6-7-17(15-28)29-23(25)21(24(26)31)22(27-29)16-10-12-19(13-11-16)32-18-8-4-3-5-9-18/h2-5,8-13,17H,1,6-7,14-15,25H2,(H2,26,31)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	0.180	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377842 (1-[(3S)-1-acryloyl piperidin-3-yl]-5-amino-3-[4-(2...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)C1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C24H23F2N5O3/c1-2-20(32)30-11-3-4-16(13-30)31-23(27)21(24(28)33)22(29-31)14-5-8-17(9-6-14)34-19-10-7-15(25)12-18(19)26/h2,5-10,12,16H,1,3-4,11,13,27H2,(H2,28,33)	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	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377707 (5-amino-1-(1-cyanopiperidin-3-yl)-3-(4-phenoxyphen...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C#N Show InChI InChI=1S/C22H22N6O2/c23-14-27-12-4-5-16(13-27)28-21(24)19(22(25)29)20(26-28)15-8-10-18(11-9-15)30-17-6-2-1-3-7-17/h1-3,6-11,16H,4-5,12-13,24H2,(H2,25,29)	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	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377839 (5-amino-3-[4-(4-chlorophenoxy)phenyl]-1-{(3R)-1-[(...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCCN(C1)C(=O)\C=C\C(F)F Show InChI InChI=1S/C25H24ClF2N5O3/c26-16-5-9-19(10-6-16)36-18-7-3-15(4-8-18)23-22(25(30)35)24(29)33(31-23)17-2-1-13-32(14-17)21(34)12-11-20(27)28/h3-12,17,20H,1-2,13-14,29H2,(H2,30,35)/b12-11+	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	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377831 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(phenylthio...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Sc2ccccc2)cc1)C1CCCN(C1)C#N Show InChI InChI=1S/C22H22N6OS/c23-14-27-12-4-5-16(13-27)28-21(24)19(22(25)29)20(26-28)15-8-10-18(11-9-15)30-17-6-2-1-3-7-17/h1-3,6-11,16H,4-5,12-13,24H2,(H2,25,29)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377722 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3,4-dimeth...) Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)cc1C Show InChI InChI=1S/C24H26N6O2/c1-15-5-8-20(12-16(15)2)32-19-9-6-17(7-10-19)22-21(24(27)31)23(26)30(28-22)18-4-3-11-29(13-18)14-25/h5-10,12,18H,3-4,11,13,26H2,1-2H3,(H2,27,31)	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	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377850 (5-amino-1-{(3R)-1-[(2E)-4,4-difluorobut-2-enoyl]pi...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)C1CCCN(C1)C(=O)\C=C\C(F)F Show InChI InChI=1S/C25H23F4N5O3/c26-15-5-8-19(18(27)12-15)37-17-6-3-14(4-7-17)23-22(25(31)36)24(30)34(32-23)16-2-1-11-33(13-16)21(35)10-9-20(28)29/h3-10,12,16,20H,1-2,11,13,30H2,(H2,31,36)/b10-9+	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	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377734 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3-fluoro-4...) Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)cc1F Show InChI InChI=1S/C23H23FN6O2/c1-14-4-7-18(11-19(14)24)32-17-8-5-15(6-9-17)21-20(23(27)31)22(26)30(28-21)16-3-2-10-29(12-16)13-25/h4-9,11,16H,2-3,10,12,26H2,1H3,(H2,27,31)	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	0.430	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377754 (5-amino-1-(1-cyanopiperidin-3-yl)- 3-[4-(3-methoxy...) Show SMILES COc1cccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)c1 Show InChI InChI=1S/C23H24N6O3/c1-31-18-5-2-6-19(12-18)32-17-9-7-15(8-10-17)21-20(23(26)30)22(25)29(27-21)16-4-3-11-28(13-16)14-24/h2,5-10,12,16H,3-4,11,13,25H2,1H3,(H2,26,30)	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	0.440	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377827 (5-amino-1-[(3R*,6S*)-1-cyano-6-methylpiperidin-3-y...) Show SMILES C[C@H]1CC[C@H](CN1C#N)n1nc(c(C(N)=O)c1N)-c1ccc(Oc2ccc(F)cc2F)cc1 |r| Show InChI InChI=1S/C23H22F2N6O2/c1-13-2-6-16(11-30(13)12-26)31-22(27)20(23(28)32)21(29-31)14-3-7-17(8-4-14)33-19-9-5-15(24)10-18(19)25/h3-5,7-10,13,16H,2,6,11,27H2,1H3,(H2,28,32)/t13-,16+/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	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377859 (1-[(3R)-1-acryloyl piperidin-3-yl]-5-amino-3-{4-[(...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ncc(Cl)cc2F)cc1)C1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C23H22ClFN6O3/c1-2-18(32)30-9-3-4-15(12-30)31-21(26)19(22(27)33)20(29-31)13-5-7-16(8-6-13)34-23-17(25)10-14(24)11-28-23/h2,5-8,10-11,15H,1,3-4,9,12,26H2,(H2,27,33)	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	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377778 ((R)-5-amino-3-(4-(2-chlorobenzyl)phenyl)-1-(1-cyan...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Cc2ccccc2Cl)cc1)[C@@H]1CCCN(C1)C#N |r| Show InChI InChI=1S/C23H23ClN6O/c24-19-6-2-1-4-17(19)12-15-7-9-16(10-8-15)21-20(23(27)31)22(26)30(28-21)18-5-3-11-29(13-18)14-25/h1-2,4,6-10,18H,3,5,11-13,26H2,(H2,27,31)/t18-/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	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377775 ((R)-5-amino-1-(1-cyanopiperidin-3-yl)-3-(4-(3-meth...) Show SMILES Cc1cccc(Cc2ccc(cc2)-c2nn([C@@H]3CCCN(C3)C#N)c(N)c2C(N)=O)c1 |r| Show InChI InChI=1S/C24H26N6O/c1-16-4-2-5-18(12-16)13-17-7-9-19(10-8-17)22-21(24(27)31)23(26)30(28-22)20-6-3-11-29(14-20)15-25/h2,4-5,7-10,12,20H,3,6,11,13-14,26H2,1H3,(H2,27,31)/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	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377719 (5-amino-3-[4-(4-chlorophenoxy)phenyl]-1-(1-cyanopi...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCCN(C1)C#N Show InChI InChI=1S/C22H21ClN6O2/c23-15-5-9-18(10-6-15)31-17-7-3-14(4-8-17)20-19(22(26)30)21(25)29(27-20)16-2-1-11-28(12-16)13-24/h3-10,16H,1-2,11-12,25H2,(H2,26,30)	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	0.640	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377861 (5-amino-3-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]p...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ncc(Cl)cc2F)cc1)C1CCCN(C1)C(=O)\C=C\C(F)F Show InChI InChI=1S/C24H22ClF3N6O3/c25-14-10-17(26)24(31-11-14)37-16-5-3-13(4-6-16)21-20(23(30)36)22(29)34(32-21)15-2-1-9-33(12-15)19(35)8-7-18(27)28/h3-8,10-11,15,18H,1-2,9,12,29H2,(H2,30,36)/b8-7+	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	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377830 (5-amino-3-{4-[(4-chlorophenyl)thio]phenyl}-1-(1-cy...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Sc2ccc(Cl)cc2)cc1)C1CCCN(C1)C#N Show InChI InChI=1S/C22H21ClN6OS/c23-15-5-9-18(10-6-15)31-17-7-3-14(4-8-17)20-19(22(26)30)21(25)29(27-20)16-2-1-11-28(12-16)13-24/h3-10,16H,1-2,11-12,25H2,(H2,26,30)	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	0.740	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377749 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(2, 5-diflu...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2cc(F)ccc2F)cc1)C1CCCN(C1)C#N Show InChI InChI=1S/C22H20F2N6O2/c23-14-5-8-17(24)18(10-14)32-16-6-3-13(4-7-16)20-19(22(27)31)21(26)30(28-20)15-2-1-9-29(11-15)12-25/h3-8,10,15H,1-2,9,11,26H2,(H2,27,31)	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	0.770	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377741 (5-amino-3-[4-(2-chloro-4-fluorophenoxy)phenyl]-1-(...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2Cl)cc1)C1CCCN(C1)C#N Show InChI InChI=1S/C22H20ClFN6O2/c23-17-10-14(24)5-8-18(17)32-16-6-3-13(4-7-16)20-19(22(27)31)21(26)30(28-20)15-2-1-9-29(11-15)12-25/h3-8,10,15H,1-2,9,11,26H2,(H2,27,31)	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	0.790	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377781 ((R)-5-amino-1-(1-cyanopiperidin-3-yl)-3-(4-(2-fluo...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Cc2ccccc2F)cc1)[C@@H]1CCCN(C1)C#N |r| Show InChI InChI=1S/C23H23FN6O/c24-19-6-2-1-4-17(19)12-15-7-9-16(10-8-15)21-20(23(27)31)22(26)30(28-21)18-5-3-11-29(13-18)14-25/h1-2,4,6-10,18H,3,5,11-13,26H2,(H2,27,31)/t18-/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	0.810	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377751 (5-amino-3-[4-(2-chloro-5-fluoro- phenoxy)phenyl]-1...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2cc(F)ccc2Cl)cc1)C1CCCN(C1)C#N Show InChI InChI=1S/C22H20ClFN6O2/c23-17-8-5-14(24)10-18(17)32-16-6-3-13(4-7-16)20-19(22(27)31)21(26)30(28-20)15-2-1-9-29(11-15)12-25/h3-8,10,15H,1-2,9,11,26H2,(H2,27,31)	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	0.810	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377726 (5-amino-3-[4-(4-chloro-2-methylphenoxy)phenyl]-1-(...) Show SMILES Cc1cc(Cl)ccc1Oc1ccc(cc1)-c1nn(C2CCCN(C2)C#N)c(N)c1C(N)=O Show InChI InChI=1S/C23H23ClN6O2/c1-14-11-16(24)6-9-19(14)32-18-7-4-15(5-8-18)21-20(23(27)31)22(26)30(28-21)17-3-2-10-29(12-17)13-25/h4-9,11,17H,2-3,10,12,26H2,1H3,(H2,27,31)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377725 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(4-ethylphe...) Show SMILES CCc1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)cc1 Show InChI InChI=1S/C24H26N6O2/c1-2-16-5-9-19(10-6-16)32-20-11-7-17(8-12-20)22-21(24(27)31)23(26)30(28-22)18-4-3-13-29(14-18)15-25/h5-12,18H,2-4,13-14,26H2,1H3,(H2,27,31)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377780 (5-amino-1-(1-cyanopiperidn-3-yl)-3-[4-(2-fluoroben...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Cc2ccccc2F)cc1)C1CCCN(C1)C#N Show InChI InChI=1S/C23H23FN6O/c24-19-6-2-1-4-17(19)12-15-7-9-16(10-8-15)21-20(23(27)31)22(26)30(28-21)18-5-3-11-29(13-18)14-25/h1-2,4,6-10,18H,3,5,11-13,26H2,(H2,27,31)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377734 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3-fluoro-4...) Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)cc1F Show InChI InChI=1S/C23H23FN6O2/c1-14-4-7-18(11-19(14)24)32-17-8-5-15(6-9-17)21-20(23(27)31)22(26)30(28-21)16-3-2-10-29(12-16)13-25/h4-9,11,16H,2-3,10,12,26H2,1H3,(H2,27,31)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377835 (5-amino-1-{(3R)-1-[(2E)-4-hydroxybut-2-enoyl]piper...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C1)C(=O)\C=C\CO |r| Show InChI InChI=1S/C25H27N5O4/c26-24-22(25(27)33)23(17-10-12-20(13-11-17)34-19-7-2-1-3-8-19)28-30(24)18-6-4-14-29(16-18)21(32)9-5-15-31/h1-3,5,7-13,18,31H,4,6,14-16,26H2,(H2,27,33)/b9-5+/t18-/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	1	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377745 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(2-fluoro-4...) Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)c(F)c1 Show InChI InChI=1S/C23H23FN6O2/c1-14-4-9-19(18(24)11-14)32-17-7-5-15(6-8-17)21-20(23(27)31)22(26)30(28-21)16-3-2-10-29(12-16)13-25/h4-9,11,16H,2-3,10,12,26H2,1H3,(H2,27,31)	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377838 (5-amino-3-[4-(4-chlorophenoxy)phenyl]-1-{(3R)-1-[(...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1CCCN(C1)C(=O)\C=C\CF |r| Show InChI InChI=1S/C25H25ClFN5O3/c26-17-7-11-20(12-8-17)35-19-9-5-16(6-10-19)23-22(25(29)34)24(28)32(30-23)18-3-2-14-31(15-18)21(33)4-1-13-27/h1,4-12,18H,2-3,13-15,28H2,(H2,29,34)/b4-1+/t18-/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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377748 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(4-methylph...) Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)cc1 Show InChI InChI=1S/C23H24N6O2/c1-15-4-8-18(9-5-15)31-19-10-6-16(7-11-19)21-20(23(26)30)22(25)29(27-21)17-3-2-12-28(13-17)14-24/h4-11,17H,2-3,12-13,25H2,1H3,(H2,26,30)	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377841 (5-amino-3-[4-(4-chlorophenoxy)phenyl]-1-{(3R)-1-[(...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cc2)cc1)C1CCCN(C1)C(=O)\C=C\C#N Show InChI InChI=1S/C25H23ClN6O3/c26-17-7-11-20(12-8-17)35-19-9-5-16(6-10-19)23-22(25(29)34)24(28)32(30-23)18-3-2-14-31(15-18)21(33)4-1-13-27/h1,4-12,18H,2-3,14-15,28H2,(H2,29,34)/b4-1+	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
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377760 (5-amino-1-(1-cyanopiperidin-3-yl)- 3-[4-(3-fluoro-...) Show SMILES Cc1c(F)cccc1Oc1ccc(cc1)-c1nn(C2CCCN(C2)C#N)c(N)c1C(N)=O Show InChI InChI=1S/C23H23FN6O2/c1-14-18(24)5-2-6-19(14)32-17-9-7-15(8-10-17)21-20(23(27)31)22(26)30(28-21)16-4-3-11-29(12-16)13-25/h2,5-10,16H,3-4,11-12,26H2,1H3,(H2,27,31)	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	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377867 (1-[(3R)-1-acryloyl piperidin-3-yl]-5-amino-3-(4-{[...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2cccc(n2)C(F)(F)F)cc1)C1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C24H23F3N6O3/c1-2-19(34)32-12-4-5-15(13-32)33-22(28)20(23(29)35)21(31-33)14-8-10-16(11-9-14)36-18-7-3-6-17(30-18)24(25,26)27/h2-3,6-11,15H,1,4-5,12-13,28H2,(H2,29,35)	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
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377722 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3,4-dimeth...) Show SMILES Cc1ccc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)cc1C Show InChI InChI=1S/C24H26N6O2/c1-15-5-8-20(12-16(15)2)32-19-9-6-17(7-10-19)22-21(24(27)31)23(26)30(28-22)18-4-3-11-29(13-18)14-25/h5-10,12,18H,3-4,11,13,26H2,1-2H3,(H2,27,31)	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	1.28	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377731 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(2,4-difluo...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)C1CCCN(C1)C#N Show InChI InChI=1S/C22H20F2N6O2/c23-14-5-8-18(17(24)10-14)32-16-6-3-13(4-7-16)20-19(22(27)31)21(26)30(28-20)15-2-1-9-29(11-15)12-25/h3-8,10,15H,1-2,9,11,26H2,(H2,27,31)	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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377869 (5-amino-1-{(3R)-1-[(2E)-4,4-difluorobut-2-enoyl]pi...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2cccc(n2)C(F)(F)F)cc1)C1CCCN(C1)C(=O)\C=C\C(F)F Show InChI InChI=1S/C25H23F5N6O3/c26-18(27)10-11-20(37)35-12-2-3-15(13-35)36-23(31)21(24(32)38)22(34-36)14-6-8-16(9-7-14)39-19-5-1-4-17(33-19)25(28,29)30/h1,4-11,15,18H,2-3,12-13,31H2,(H2,32,38)/b11-10+	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
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377865 (5-amino-3-{4-[(5-chloropyridin-2-yl)oxy]phenyl}-1-...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cn2)cc1)C1CCCN(C1)C(=O)\C=C\C(F)F Show InChI InChI=1S/C24H23ClF2N6O3/c25-15-5-9-19(30-12-15)36-17-6-3-14(4-7-17)22-21(24(29)35)23(28)33(31-22)16-2-1-11-32(13-16)20(34)10-8-18(26)27/h3-10,12,16,18H,1-2,11,13,28H2,(H2,29,35)/b10-8+	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
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377863 (1-[(3R)-1-acryloyl piperidin-3-yl]-5-amino-3-{4-[(...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cn2)cc1)C1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C23H23ClN6O3/c1-2-19(31)29-11-3-4-16(13-29)30-22(25)20(23(26)32)21(28-30)14-5-8-17(9-6-14)33-18-10-7-15(24)12-27-18/h2,5-10,12,16H,1,3-4,11,13,25H2,(H2,26,32)	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
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377832 (1-[(3S)-1-acryloyl piperidin-3-yl]-5-amino-3-(4-ph...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C1)C(=O)C=C |r| Show InChI InChI=1S/C24H25N5O3/c1-2-20(30)28-14-6-7-17(15-28)29-23(25)21(24(26)31)22(27-29)16-10-12-19(13-11-16)32-18-8-4-3-5-9-18/h2-5,8-13,17H,1,6-7,14-15,25H2,(H2,26,31)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase 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
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377793 (5-Amino-3-(4-benzoyl-phenyl)-1-(1-cyano)-piperidin...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(cc1)C(=O)c1ccccc1)C1CCCN(C1)C#N Show InChI InChI=1S/C23H22N6O2/c24-14-28-12-4-7-18(13-28)29-22(25)19(23(26)31)20(27-29)15-8-10-17(11-9-15)21(30)16-5-2-1-3-6-16/h1-3,5-6,8-11,18H,4,7,12-13,25H2,(H2,26,31)	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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377762 (5-amino-3-[4-(2-chlorophenoxy)- phenyl]-1-(1-cyano...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2Cl)cc1)C1CCCN(C1)C#N Show InChI InChI=1S/C22H21ClN6O2/c23-17-5-1-2-6-18(17)31-16-9-7-14(8-10-16)20-19(22(26)30)21(25)29(27-20)15-4-3-11-28(12-15)13-24/h1-2,5-10,15H,3-4,11-12,25H2,(H2,26,30)	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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377783 (5-amino-1-(1-cyanopiperidin-3-yl)-3-[4-(3-fluorobe...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Cc2cccc(F)c2)cc1)C1CCCN(C1)C#N Show InChI InChI=1S/C23H23FN6O/c24-18-4-1-3-16(12-18)11-15-6-8-17(9-7-15)21-20(23(27)31)22(26)30(28-21)19-5-2-10-29(13-19)14-25/h1,3-4,6-9,12,19H,2,5,10-11,13,26H2,(H2,27,31)	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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377862 (5-amino-3-{4-[(5-chloro-3-fluoropyridin-2-yl)oxy]p...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ncc(Cl)cc2F)cc1)C1CCCN(C1)C(=O)\C=C\CF Show InChI InChI=1S/C24H23ClF2N6O3/c25-15-11-18(27)24(30-12-15)36-17-7-5-14(6-8-17)21-20(23(29)35)22(28)33(31-21)16-3-2-10-32(13-16)19(34)4-1-9-26/h1,4-8,11-12,16H,2-3,9-10,13,28H2,(H2,29,35)/b4-1+	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
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377707 (5-amino-1-(1-cyanopiperidin-3-yl)-3-(4-phenoxyphen...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccccc2)cc1)C1CCCN(C1)C#N Show InChI InChI=1S/C22H22N6O2/c23-14-27-12-4-5-16(13-27)28-21(24)19(22(25)29)20(26-28)15-8-10-18(11-9-15)30-17-6-2-1-3-7-17/h1-3,6-11,16H,4-5,12-13,24H2,(H2,25,29)	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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377746 (5-amino-3-[4-(4-chloro-3-methylphenoxy)phenyl]-1-(...) Show SMILES Cc1cc(Oc2ccc(cc2)-c2nn(C3CCCN(C3)C#N)c(N)c2C(N)=O)ccc1Cl Show InChI InChI=1S/C23H23ClN6O2/c1-14-11-18(8-9-19(14)24)32-17-6-4-15(5-7-17)21-20(23(27)31)22(26)30(28-21)16-3-2-10-29(12-16)13-25/h4-9,11,16H,2-3,10,12,26H2,1H3,(H2,27,31)	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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377858 (5-amino-1-{(3R)-1-[(2E)-3-cyanoprop-2-enoyl]piperi...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2F)cc1)C1CCCN(C1)C(=O)\C=C\C#N Show InChI InChI=1S/C25H22F2N6O3/c26-16-7-10-20(19(27)13-16)36-18-8-5-15(6-9-18)23-22(25(30)35)24(29)33(31-23)17-3-2-12-32(14-17)21(34)4-1-11-28/h1,4-10,13,17H,2-3,12,14,29H2,(H2,30,35)/b4-1+	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
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377753 (5-amino-1-(1-cyanopiperidin-3-yl)- 3-{4-[4-fluoro-...) Show SMILES COc1cc(F)ccc1Oc1ccc(cc1)-c1nn(C2CCCN(C2)C#N)c(N)c1C(N)=O Show InChI InChI=1S/C23H23FN6O3/c1-32-19-11-15(24)6-9-18(19)33-17-7-4-14(5-8-17)21-20(23(27)31)22(26)30(28-21)16-3-2-10-29(12-16)13-25/h4-9,11,16H,2-3,10,12,26H2,1H3,(H2,27,31)	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377741 (5-amino-3-[4-(2-chloro-4-fluorophenoxy)phenyl]-1-(...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)cc2Cl)cc1)C1CCCN(C1)C#N Show InChI InChI=1S/C22H20ClFN6O2/c23-17-10-14(24)5-8-18(17)32-16-6-3-13(4-7-16)20-19(22(27)31)21(26)30(28-20)15-2-1-9-29(11-15)12-25/h3-8,10,15H,1-2,9,11,26H2,(H2,27,31)	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377759 (5-amino-3-[4-(3-chlorophenoxy)- phenyl]-1-(1-cyano...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2cccc(Cl)c2)cc1)C1CCCN(C1)C#N Show InChI InChI=1S/C22H21ClN6O2/c23-15-3-1-5-18(11-15)31-17-8-6-14(7-9-17)20-19(22(26)30)21(25)29(27-20)16-4-2-10-28(12-16)13-24/h1,3,5-9,11,16H,2,4,10,12,25H2,(H2,26,30)	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	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377764 (5-amino-3-[4-(3-chloro-4-fluoro- phenoxy)phenyl]-1...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(F)c(Cl)c2)cc1)C1CCCN(C1)C#N Show InChI InChI=1S/C22H20ClFN6O2/c23-17-10-16(7-8-18(17)24)32-15-5-3-13(4-6-15)20-19(22(27)31)21(26)30(28-20)14-2-1-9-29(11-14)12-25/h3-8,10,14H,1-2,9,11,26H2,(H2,27,31)	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM377756 (5-amino-1-(1-cyanopiperidin-3-yl)- 3-[4-(2,4- dich...) Show SMILES NC(=O)c1c(N)n(nc1-c1ccc(Oc2ccc(Cl)cc2Cl)cc1)C1CCCN(C1)C#N Show InChI InChI=1S/C22H20Cl2N6O2/c23-14-5-8-18(17(24)10-14)32-16-6-3-13(4-7-16)20-19(22(27)31)21(26)30(28-20)15-2-1-9-29(11-15)12-25/h3-8,10,15H,1-2,9,11,26H2,(H2,27,31)	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Institut Claudius Regaud					Assay Description TR-FRET LanthaScreen assays were performed by incubating a dilution series of inhibitor concentrations with 50 μM ATP, 100 nM FAM-Srctide peptid...				J Med Chem 48: 287-91 (2005) BindingDB Entry DOI: 10.7270/Q2P271FD
					More data for this Ligand-Target Pair

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