Compile Data Set for Download or QSAR

Found 729 hits of ec50 data for polymerid = 1846,50006599   

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))	BDBM350321 ((S)-3-(1-((1-acryloylpyrrolidin-3-yl)oxy)isoquinol...) Show SMILES C=CC(=O)N1CC[C@@H](C1)Oc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r| Show InChI InChI=1S/C18H15N5O3/c1-2-15(24)23-8-7-12(10-23)26-17-13-6-4-3-5-11(13)9-14(19-17)16-20-18(25)22-21-16/h2-6,9,12H,1,7-8,10H2/t12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human Btk in human Raji cells assessed as PhosY223 measured after 30 mins by cellular HTRF assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01026 BindingDB Entry DOI: 10.7270/Q2JM2FHN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM250082 (US9447106, 27b (peak 2) | US9556188, Compound 27a) Show SMILES NC(=O)c1c2NCC[C@@H](C3CCN(CC3)C(=O)C=C)n2nc1-c1ccc(Oc2ccccc2)cc1 |r| Show InChI InChI=1S/C27H29N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,18,22,29H,1,12-17H2,(H2,28,34)/t22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.40	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02134 BindingDB Entry DOI: 10.7270/Q23F4TPF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50245586 (CHEMBL4077123) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1cc(Nc2ccc(C(=O)N3CCOCC3)c(NC(=O)C=C)c2)c(=O)n(C)c1 Show InChI InChI=1S/C38H41N5O5/c1-7-34(44)40-32-22-28(15-16-30(32)36(46)43-17-19-48-20-18-43)39-33-21-26(23-42(6)37(33)47)29-9-8-10-31(24(29)2)41-35(45)25-11-13-27(14-12-25)38(3,4)5/h7-16,21-23,39H,1,17-20H2,2-6H3,(H,40,44)(H,41,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	4.70	n/a	n/a	n/a	n/a
University of Science and Technology of China Curated by ChEMBL					Assay Description Irreversible inhibition of recombinant full length wild-type 3'-FLAG-tagged BTK (unknown origin) expressed in HEK293T cells assessed as reduction in ...				Eur J Med Chem 131: 107-125 (2017) Article DOI: 10.1016/j.ejmech.2017.03.001 BindingDB Entry DOI: 10.7270/Q21V5HCK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50357312 (IBRUTINIB | PCI-32765 | US10124003, Ref. Ex. Compo...) Show SMILES Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)[C@@H]1CCCN(C1)C(=O)C=C Show InChI InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	n/a	n/a	5.80	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02134 BindingDB Entry DOI: 10.7270/Q23F4TPF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50559906 (CHEMBL4798086) Show SMILES C=CC(=O)Nc1ccc2ncnc(Oc3ccc(cc3)C(=O)Nc3ccccn3)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	7.20	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant full length N-terminal His6-tagged BTK expressed in baculovirus infected Sf9 cells using fluorescein labeled Blk/Lynt...				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127261 BindingDB Entry DOI: 10.7270/Q2TB1BM3
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50175583 (ACP-196 | Acalabrutinib | US10239883, Example 6 | ...) Show SMILES [H][C@]1(CCCN1C(=O)C#CC)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H23N7O2/c1-2-6-21(34)32-15-5-7-19(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)26(35)30-20-8-3-4-13-28-20/h3-4,8-14,16,19H,5,7,15H2,1H3,(H2,27,29)(H,28,30,35)/t19-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	9.20	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c02134 BindingDB Entry DOI: 10.7270/Q23F4TPF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267472 (4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CC[C@H](O)CC1 |r,wU:29.32,wD:32.36,(-3.42,.3,;-3.42,-1.24,;-4.75,-2.01,;-4.75,-3.55,;-3.42,-4.32,;-2.08,-3.55,;-.62,-4.02,;.29,-2.78,;-.62,-1.53,;-.22,-.04,;-1.31,1.05,;-.91,2.53,;.58,2.93,;1.67,1.84,;1.27,.36,;.98,4.42,;-.11,5.51,;2.46,4.82,;2.86,6.31,;1.77,7.4,;2.17,8.88,;3.66,9.28,;4.75,8.19,;4.35,6.7,;1.08,9.97,;-.4,9.57,;1.48,11.46,;.69,8.48,;-2.08,-2.01,;-.22,-5.51,;1.27,-5.91,;1.67,-7.4,;.58,-8.48,;.98,-9.97,;-.91,-8.09,;-1.31,-6.6,)| Show InChI InChI=1S/C25H23F3N6O2/c26-25(27,28)17-9-10-30-19(13-17)32-24(36)16-3-1-14(2-4-16)20-21-22(29)31-11-12-34(21)23(33-20)15-5-7-18(35)8-6-15/h1-4,9-13,15,18,35H,5-8H2,(H2,29,31)(H,30,32,36)/t15-,18-	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267473 (4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[...) Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H]3CC[C@H](O)CC3)n3ccnc(N)c23)c1 |r,wU:20.20,wD:23.24,(-1.49,10.32,;-.4,9.23,;1.08,9.63,;2.17,8.54,;3.66,8.94,;4.75,7.85,;4.35,6.36,;2.86,5.96,;2.46,4.47,;.98,4.08,;-.11,5.16,;.58,2.59,;1.67,1.5,;1.27,.01,;-.22,-.39,;-1.31,.7,;-.91,2.19,;-.62,-1.88,;.29,-3.12,;-.62,-4.37,;-.22,-5.85,;1.27,-6.25,;1.67,-7.74,;.58,-8.83,;.98,-10.32,;-.91,-8.43,;-1.31,-6.94,;-2.08,-3.89,;-3.42,-4.66,;-4.75,-3.89,;-4.75,-2.35,;-3.42,-1.58,;-3.42,-.04,;-2.08,-2.35,;1.77,7.05,)| Show InChI InChI=1S/C27H30N6O2/c1-2-3-17-12-13-29-22(16-17)31-27(35)20-6-4-18(5-7-20)23-24-25(28)30-14-15-33(24)26(32-23)19-8-10-21(34)11-9-19/h4-7,12-16,19,21,34H,2-3,8-11H2,1H3,(H2,28,30)(H,29,31,35)/t19-,21-	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267474 (4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[...) Show SMILES CCc1cnc(NC(=O)c2ccc(cc2)-c2nc([C@H]3CC[C@H](O)CC3)n3ccnc(N)c23)s1 |r,wU:18.18,wD:21.22,(1.19,10.33,;2.68,9.93,;3.07,8.44,;4.54,7.97,;4.54,6.43,;3.07,5.95,;2.68,4.46,;1.19,4.06,;.1,5.15,;.79,2.58,;1.88,1.49,;1.48,,;-.01,-.4,;-1.1,.69,;-.7,2.18,;-.41,-1.89,;.5,-3.13,;-.41,-4.38,;-.01,-5.87,;1.48,-6.26,;1.88,-7.75,;.79,-8.84,;1.19,-10.33,;-.7,-8.44,;-1.1,-6.95,;-1.87,-3.9,;-3.2,-4.67,;-4.54,-3.9,;-4.54,-2.36,;-3.2,-1.59,;-3.2,-.05,;-1.87,-2.36,;2.17,7.2,)| Show InChI InChI=1S/C24H26N6O2S/c1-2-18-13-27-24(33-18)29-23(32)16-5-3-14(4-6-16)19-20-21(25)26-11-12-30(20)22(28-19)15-7-9-17(31)10-8-15/h3-6,11-13,15,17,31H,2,7-10H2,1H3,(H2,25,26)(H,27,29,32)/t15-,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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267475 (4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[...) Show SMILES Cc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H]3CC[C@H](O)CC3)n3ccnc(N)c23)c1 |r,wU:18.18,wD:21.22,(1.08,9.97,;2.17,8.88,;3.66,9.28,;4.75,8.19,;4.35,6.7,;2.86,6.31,;2.46,4.82,;.98,4.42,;-.11,5.51,;.58,2.93,;1.67,1.84,;1.27,.36,;-.22,-.04,;-1.31,1.05,;-.91,2.53,;-.62,-1.53,;.29,-2.78,;-.62,-4.02,;-.22,-5.51,;1.27,-5.91,;1.67,-7.4,;.58,-8.48,;.98,-9.97,;-.91,-8.09,;-1.31,-6.6,;-2.08,-3.55,;-3.42,-4.32,;-4.75,-3.55,;-4.75,-2.01,;-3.42,-1.24,;-3.42,.3,;-2.08,-2.01,;1.77,7.4,)| Show InChI InChI=1S/C25H26N6O2/c1-15-10-11-27-20(14-15)29-25(33)18-4-2-16(3-5-18)21-22-23(26)28-12-13-31(22)24(30-21)17-6-8-19(32)9-7-17/h2-5,10-14,17,19,32H,6-9H2,1H3,(H2,26,28)(H,27,29,33)/t17-,19-	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267476 (4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[...) Show SMILES CC(C)c1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H]3CC[C@H](O)CC3)n3ccnc(N)c23)c1 |r,wU:20.20,wD:23.24,(-.4,8.83,;1.08,9.23,;1.48,10.72,;2.17,8.14,;3.66,8.54,;4.75,7.45,;4.35,5.96,;2.86,5.56,;2.46,4.08,;.98,3.68,;-.11,4.77,;.58,2.19,;1.67,1.1,;1.27,-.39,;-.22,-.79,;-1.31,.3,;-.91,1.79,;-.62,-2.27,;.29,-3.52,;-.62,-4.77,;-.22,-6.25,;1.27,-6.65,;1.67,-8.14,;.58,-9.23,;.98,-10.72,;-.91,-8.83,;-1.31,-7.34,;-2.08,-4.29,;-3.42,-5.06,;-4.75,-4.29,;-4.75,-2.75,;-3.42,-1.98,;-3.42,-.44,;-2.08,-2.75,;1.77,6.65,)| Show InChI InChI=1S/C27H30N6O2/c1-16(2)20-11-12-29-22(15-20)31-27(35)19-5-3-17(4-6-19)23-24-25(28)30-13-14-33(24)26(32-23)18-7-9-21(34)10-8-18/h3-6,11-16,18,21,34H,7-10H2,1-2H3,(H2,28,30)(H,29,31,35)/t18-,21-	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267477 (4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@H]1CC[C@H](O)CC1 |r,wU:28.32,wD:31.36,(-3.42,-.44,;-3.42,-1.98,;-4.75,-2.75,;-4.75,-4.29,;-3.42,-5.06,;-2.08,-4.29,;-.62,-4.77,;.29,-3.52,;-.62,-2.27,;-.22,-.79,;1.27,-.39,;1.67,1.1,;.58,2.19,;-.91,1.79,;-1.31,.3,;.98,3.68,;-.11,4.77,;2.46,4.08,;2.86,5.56,;1.77,6.65,;2.17,8.14,;3.66,8.54,;4.75,7.45,;4.35,5.96,;1.08,9.23,;.69,10.72,;-.4,9.63,;-2.08,-2.75,;-.22,-6.25,;1.27,-6.65,;1.67,-8.14,;.58,-9.23,;.98,-10.72,;-.91,-8.83,;-1.31,-7.34,)| Show InChI InChI=1S/C27H28N6O2/c28-25-24-23(32-26(33(24)14-13-30-25)18-7-9-21(34)10-8-18)17-3-5-19(6-4-17)27(35)31-22-15-20(11-12-29-22)16-1-2-16/h3-6,11-16,18,21,34H,1-2,7-10H2,(H2,28,30)(H,29,31,35)/t18-,21-	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267478 (4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3nc4CCCCc4s3)c12)[C@H]1CC[C@H](O)CC1 |r,wU:28.32,wD:31.36,(-3.78,-.38,;-3.78,-1.92,;-5.11,-2.69,;-5.11,-4.23,;-3.78,-5,;-2.44,-4.23,;-.98,-4.7,;-.07,-3.46,;-.98,-2.21,;-.58,-.72,;.91,-.33,;1.31,1.16,;.22,2.25,;-1.27,1.85,;-1.67,.36,;.62,3.74,;-.47,4.83,;2.1,4.14,;2.5,5.62,;3.97,6.1,;3.97,7.64,;5.11,8.67,;4.79,10.18,;3.33,10.65,;2.18,9.62,;2.5,8.12,;1.6,6.87,;-2.44,-2.69,;-.58,-6.19,;.91,-6.59,;1.31,-8.08,;.22,-9.17,;.62,-10.65,;-1.27,-8.77,;-1.67,-7.28,)| Show InChI InChI=1S/C26H28N6O2S/c27-23-22-21(30-24(32(22)14-13-28-23)16-9-11-18(33)12-10-16)15-5-7-17(8-6-15)25(34)31-26-29-19-3-1-2-4-20(19)35-26/h5-8,13-14,16,18,33H,1-4,9-12H2,(H2,27,28)(H,29,31,34)/t16-,18-	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267480 (4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[...) Show SMILES CCCc1ccnc(NC(=O)c2ccc(-c3nc([C@H]4CC[C@H](O)CC4)n4ccnc(N)c34)c(C)c2)c1 |r,wU:18.17,wD:21.21,(-1.49,10.32,;-.4,9.23,;1.08,9.63,;2.17,8.54,;3.66,8.94,;4.75,7.85,;4.35,6.36,;2.86,5.96,;2.46,4.47,;.98,4.08,;-.11,5.16,;.58,2.59,;-.91,2.19,;-1.31,.7,;-.22,-.39,;-.62,-1.88,;.29,-3.12,;-.62,-4.37,;-.22,-5.85,;1.27,-6.25,;1.67,-7.74,;.58,-8.83,;.98,-10.32,;-.91,-8.43,;-1.31,-6.94,;-2.08,-3.89,;-3.42,-4.66,;-4.75,-3.89,;-4.75,-2.35,;-3.42,-1.58,;-3.42,-.04,;-2.08,-2.35,;1.27,.01,;2.36,-1.08,;1.67,1.5,;1.77,7.05,)| Show InChI InChI=1S/C28H32N6O2/c1-3-4-18-11-12-30-23(16-18)32-28(36)20-7-10-22(17(2)15-20)24-25-26(29)31-13-14-34(25)27(33-24)19-5-8-21(35)9-6-19/h7,10-16,19,21,35H,3-6,8-9H2,1-2H3,(H2,29,31)(H,30,32,36)/t19-,21-	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267481 (4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[...) Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2OC)-c2nc([C@H]3CC[C@H](O)CC3)n3ccnc(N)c23)c1 |r,wU:22.22,wD:25.26,(-1.49,10.32,;-.4,9.23,;1.08,9.63,;2.17,8.54,;3.66,8.94,;4.75,7.85,;4.35,6.36,;2.86,5.96,;2.46,4.47,;.98,4.08,;-.11,5.16,;.58,2.59,;-.91,2.19,;-1.31,.7,;-.22,-.39,;1.27,.01,;1.67,1.5,;3.15,1.9,;4.24,.81,;-.62,-1.88,;.29,-3.12,;-.62,-4.37,;-.22,-5.85,;1.27,-6.25,;1.67,-7.74,;.58,-8.83,;.98,-10.32,;-.91,-8.43,;-1.31,-6.94,;-2.08,-3.89,;-3.42,-4.66,;-4.75,-3.89,;-4.75,-2.35,;-3.42,-1.58,;-3.42,-.04,;-2.08,-2.35,;1.77,7.05,)| Show InChI InChI=1S/C28H32N6O3/c1-3-4-17-11-12-30-23(15-17)32-28(36)21-10-7-19(16-22(21)37-2)24-25-26(29)31-13-14-34(25)27(33-24)18-5-8-20(35)9-6-18/h7,10-16,18,20,35H,3-6,8-9H2,1-2H3,(H2,29,31)(H,30,32,36)/t18-,20-	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267483 (4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[...) Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2F)-c2nc([C@H]3CC[C@H](O)CC3)n3ccnc(N)c23)c1 |r,wU:21.21,wD:24.25,(-1.49,10.32,;-.4,9.23,;1.08,9.63,;2.17,8.54,;3.66,8.94,;4.75,7.85,;4.35,6.36,;2.86,5.96,;2.46,4.47,;.98,4.08,;-.11,5.16,;.58,2.59,;-.91,2.19,;-1.31,.7,;-.22,-.39,;1.27,.01,;1.67,1.5,;3.15,1.9,;-.62,-1.88,;.29,-3.12,;-.62,-4.37,;-.22,-5.85,;1.27,-6.25,;1.67,-7.74,;.58,-8.83,;.98,-10.32,;-.91,-8.43,;-1.31,-6.94,;-2.08,-3.89,;-3.42,-4.66,;-4.75,-3.89,;-4.75,-2.35,;-3.42,-1.58,;-3.42,-.04,;-2.08,-2.35,;1.77,7.05,)| Show InChI InChI=1S/C27H29FN6O2/c1-2-3-16-10-11-30-22(14-16)32-27(36)20-9-6-18(15-21(20)28)23-24-25(29)31-12-13-34(24)26(33-23)17-4-7-19(35)8-5-17/h6,9-15,17,19,35H,2-5,7-8H2,1H3,(H2,29,31)(H,30,32,36)/t17-,19-	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267485 (4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[...) Show SMILES CC1CCc2nc(NC(=O)c3ccc(cc3)-c3nc([C@H]4CC[C@H](O)CC4)n4ccnc(N)c34)sc2C1 |r,wU:19.19,wD:22.23,(3.01,11.41,;3.33,9.9,;4.79,9.42,;5.11,7.92,;3.97,6.89,;3.97,5.35,;2.5,4.87,;2.1,3.38,;.62,2.99,;-.47,4.07,;.22,1.5,;1.31,.41,;.91,-1.08,;-.58,-1.48,;-1.67,-.39,;-1.27,1.1,;-.98,-2.96,;-.07,-4.21,;-.98,-5.46,;-.58,-6.94,;.91,-7.34,;1.31,-8.83,;.22,-9.92,;.62,-11.41,;-1.27,-9.52,;-1.67,-8.03,;-2.44,-4.98,;-3.78,-5.75,;-5.11,-4.98,;-5.11,-3.44,;-3.78,-2.67,;-3.78,-1.13,;-2.44,-3.44,;1.6,6.12,;2.5,7.36,;2.18,8.87,)| Show InChI InChI=1S/C27H30N6O2S/c1-15-2-11-20-21(14-15)36-27(30-20)32-26(35)18-5-3-16(4-6-18)22-23-24(28)29-12-13-33(23)25(31-22)17-7-9-19(34)10-8-17/h3-6,12-13,15,17,19,34H,2,7-11,14H2,1H3,(H2,28,29)(H,30,32,35)/t15?,17-,19-	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267491 (4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[...) Show SMILES CCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@H]3CC[C@H](O)CC3)n3ccnc(N)c23)c1 |r,wU:19.19,wD:22.23,(-.4,9.57,;1.08,9.97,;2.17,8.88,;3.66,9.28,;4.75,8.19,;4.35,6.7,;2.86,6.31,;2.46,4.82,;.98,4.42,;-.11,5.51,;.58,2.93,;1.67,1.84,;1.27,.36,;-.22,-.04,;-1.31,1.05,;-.91,2.53,;-.62,-1.53,;.29,-2.78,;-.62,-4.02,;-.22,-5.51,;1.27,-5.91,;1.67,-7.4,;.58,-8.48,;.98,-9.97,;-.91,-8.09,;-1.31,-6.6,;-2.08,-3.55,;-3.42,-4.32,;-4.75,-3.55,;-4.75,-2.01,;-3.42,-1.24,;-3.42,.3,;-2.08,-2.01,;1.77,7.4,)| Show InChI InChI=1S/C26H28N6O2/c1-2-16-11-12-28-21(15-16)30-26(34)19-5-3-17(4-6-19)22-23-24(27)29-13-14-32(23)25(31-22)18-7-9-20(33)10-8-18/h3-6,11-15,18,20,33H,2,7-10H2,1H3,(H2,27,29)(H,28,30,34)/t18-,20-	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267492 (4-(8-amino-3-((trans)-4-hydroxycyclohexyl)imidazo[...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)-c3ccccc3)c12)[C@H]1CC[C@H](O)CC1 |r,wU:31.35,wD:34.39,(-3.42,-.98,;-3.42,-2.52,;-4.75,-3.29,;-4.75,-4.83,;-3.42,-5.6,;-2.08,-4.83,;-.62,-5.31,;.29,-4.06,;-.62,-2.82,;-.22,-1.33,;1.27,-.93,;1.67,.56,;.58,1.64,;-.91,1.25,;-1.31,-.24,;.98,3.13,;-.11,4.22,;2.46,3.53,;2.86,5.02,;1.77,6.11,;2.17,7.59,;3.66,7.99,;4.75,6.9,;4.35,5.42,;1.08,8.68,;1.48,10.17,;.39,11.26,;-1.09,10.86,;-1.49,9.37,;-.4,8.29,;-2.08,-3.29,;-.22,-6.8,;1.27,-7.2,;1.67,-8.68,;.58,-9.77,;.98,-11.26,;-.91,-9.37,;-1.31,-7.89,)| Show InChI InChI=1S/C30H28N6O2/c31-28-27-26(35-29(36(27)17-16-33-28)21-10-12-24(37)13-11-21)20-6-8-22(9-7-20)30(38)34-25-18-23(14-15-32-25)19-4-2-1-3-5-19/h1-9,14-18,21,24,37H,10-13H2,(H2,31,33)(H,32,34,38)/t21-,24-	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267496 (4-(8-amino-3-(tetrahydro-2H-pyran-4-yl)imidazo [1,...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C1CCOCC1 Show InChI InChI=1S/C24H21F3N6O2/c25-24(26,27)17-5-8-29-18(13-17)31-23(34)16-3-1-14(2-4-16)19-20-21(28)30-9-10-33(20)22(32-19)15-6-11-35-12-7-15/h1-5,8-10,13,15H,6-7,11-12H2,(H2,28,30)(H,29,31,34)	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267501 (4-(8-amino-3-(tetrahydro-2H-pyran-4-yl)imidazo[1,5...) Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3[C@H]4COC[C@@H]34)n3ccnc(N)c23)c1 |r| Show InChI InChI=1S/C26H26N6O2/c1-2-3-15-8-9-28-20(12-15)30-26(33)17-6-4-16(5-7-17)22-23-24(27)29-10-11-32(23)25(31-22)21-18-13-34-14-19(18)21/h4-12,18-19,21H,2-3,13-14H2,1H3,(H2,27,29)(H,28,30,33)/t18-,19+,21+	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267502 (4-(8-amino-3-((1R,5S,6S)-3-oxabicyc1o[3.1.0]hexan-...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1[C@H]2COC[C@@H]12 |r| Show InChI InChI=1S/C24H19F3N6O2/c25-24(26,27)14-5-6-29-17(9-14)31-23(34)13-3-1-12(2-4-13)19-20-21(28)30-7-8-33(20)22(32-19)18-15-10-35-11-16(15)18/h1-9,15-16,18H,10-11H2,(H2,28,30)(H,29,31,34)/t15-,16+,18+	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267505 (4-(8-amino-3-(tetrahydrofuran-3-yl)imidazo[1,5-a]p...) Show SMILES CC1(C)CC(CCO1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 Show InChI InChI=1S/C26H25F3N6O2/c1-25(2)14-17(8-12-37-25)23-34-20(21-22(30)32-10-11-35(21)23)15-3-5-16(6-4-15)24(36)33-19-13-18(7-9-31-19)26(27,28)29/h3-7,9-11,13,17H,8,12,14H2,1-2H3,(H2,30,32)(H,31,33,36)	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267507 (4-(8-amino-3-(2,2-dimethyltetrahydro-2H-pyran-4-yl...) Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc(C3CCOC(C)(C)C3)n3ccnc(N)c23)c1 Show InChI InChI=1S/C28H32N6O2/c1-4-5-18-10-12-30-22(16-18)32-27(35)20-8-6-19(7-9-20)23-24-25(29)31-13-14-34(24)26(33-23)21-11-15-36-28(2,3)17-21/h6-10,12-14,16,21H,4-5,11,15,17H2,1-3H3,(H2,29,31)(H,30,32,35)	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267511 (4-(8-amino-3-((cis)-4-methoxycyclohexyl)imidazo [1...) Show SMILES CO[C@H]1CC[C@H](CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r,wU:5.8,2.1,(-.11,-10.52,;.98,-9.43,;.58,-7.94,;-.91,-7.54,;-1.31,-6.05,;-.22,-4.96,;1.27,-5.36,;1.67,-6.85,;-.62,-3.48,;.29,-2.23,;-.62,-.99,;-.22,.5,;1.27,.9,;1.67,2.39,;.58,3.48,;-.91,3.08,;-1.31,1.59,;.98,4.96,;-.11,6.05,;2.46,5.36,;2.86,6.85,;1.77,7.94,;2.17,9.43,;3.66,9.83,;4.75,8.74,;4.35,7.25,;1.08,10.52,;-.4,10.12,;1.48,12,;.69,9.03,;-2.08,-1.46,;-3.42,-.69,;-3.42,.85,;-4.75,-1.46,;-4.75,-3,;-3.42,-3.77,;-2.08,-3,)| Show InChI InChI=1S/C26H25F3N6O2/c1-37-19-8-6-16(7-9-19)24-34-21(22-23(30)32-12-13-35(22)24)15-2-4-17(5-3-15)25(36)33-20-14-18(10-11-31-20)26(27,28)29/h2-5,10-14,16,19H,6-9H2,1H3,(H2,30,32)(H,31,33,36)/t16-,19+	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267512 (4-(8-amino-3-((cis)-4-methoxycyclohexyl)imidazo [1...) Show SMILES CO[C@H]1CC[C@H](CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)[N+]#[C-])c2c(N)nccn12 |r,wU:5.8,2.1,(-.11,-11.06,;.98,-9.97,;.58,-8.48,;-.91,-8.09,;-1.31,-6.6,;-.22,-5.51,;1.27,-5.91,;1.67,-7.4,;-.62,-4.02,;.29,-2.78,;-.62,-1.53,;-.22,-.04,;1.27,.36,;1.67,1.84,;.58,2.93,;-.91,2.53,;-1.31,1.05,;.98,4.42,;-.11,5.51,;2.46,4.82,;2.86,6.31,;1.77,7.4,;2.13,8.97,;3.66,9.28,;4.75,8.19,;4.35,6.7,;1.05,10.07,;-.02,11.17,;-2.08,-2.01,;-3.42,-1.24,;-3.42,.3,;-4.75,-2.01,;-4.75,-3.55,;-3.42,-4.32,;-2.08,-3.55,)| Show InChI InChI=1S/C26H25N7O2/c1-28-19-11-12-29-21(15-19)31-26(34)18-5-3-16(4-6-18)22-23-24(27)30-13-14-33(23)25(32-22)17-7-9-20(35-2)10-8-17/h3-6,11-15,17,20H,7-10H2,2H3,(H2,27,30)(H,29,31,34)/t17-,20+	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267513 (4-(8-amino-3-((cis)-4-methoxycyclohexyl)imidazo [1...) Show SMILES CCCc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CC[C@@H](CC3)OC)n3ccnc(N)c23)c1 |r,wU:20.20,23.27,(-1.49,10.86,;-.4,9.77,;1.08,10.17,;2.17,9.08,;3.66,9.48,;4.75,8.39,;4.35,6.9,;2.86,6.51,;2.46,5.02,;.98,4.62,;-.11,5.71,;.58,3.13,;1.67,2.04,;1.27,.56,;-.22,.16,;-1.31,1.25,;-.91,2.73,;-.62,-1.33,;.29,-2.58,;-.62,-3.82,;-.22,-5.31,;-1.31,-6.4,;-.91,-7.89,;.58,-8.29,;1.67,-7.2,;1.27,-5.71,;.98,-9.77,;-.11,-10.86,;-2.08,-3.35,;-3.42,-4.12,;-4.75,-3.35,;-4.75,-1.81,;-3.42,-1.04,;-3.42,.5,;-2.08,-1.81,;1.77,7.59,)| Show InChI InChI=1S/C28H32N6O2/c1-3-4-18-13-14-30-23(17-18)32-28(35)21-7-5-19(6-8-21)24-25-26(29)31-15-16-34(25)27(33-24)20-9-11-22(36-2)12-10-20/h5-8,13-17,20,22H,3-4,9-12H2,1-2H3,(H2,29,31)(H,30,32,35)/t20-,22+	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267514 (4-(8-amino-3-((cis)-4-methoxycyclohexyl)imidazo [1...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)C1CCCC1 Show InChI InChI=1S/C24H21F3N6O/c25-24(26,27)17-9-10-29-18(13-17)31-23(34)16-7-5-14(6-8-16)19-20-21(28)30-11-12-33(20)22(32-19)15-3-1-2-4-15/h5-13,15H,1-4H2,(H2,28,30)(H,29,31,34)	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267515 (4-(8-amino-3-cyclopentylimidazo[1,5-a]pyrazin-1-yl...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)[N+]#[C-])c12)C1CCCC1 Show InChI InChI=1S/C24H21N7O/c1-26-18-10-11-27-19(14-18)29-24(32)17-8-6-15(7-9-17)20-21-22(25)28-12-13-31(21)23(30-20)16-4-2-3-5-16/h6-14,16H,2-5H2,(H2,25,28)(H,27,29,32)	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267516 (4-(8-amino-3-cyclopentylimidazo[1,5-a]pyrazin-1-yl...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c12)C1CCCC1 Show InChI InChI=1S/C23H22N6O/c24-21-20-19(28-22(16-5-1-2-6-16)29(20)14-13-26-21)15-8-10-17(11-9-15)23(30)27-18-7-3-4-12-25-18/h3-4,7-14,16H,1-2,5-6H2,(H2,24,26)(H,25,27,30)	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267517 ((R)-4-(8-amino-3-(1-propionylpiperidin-3-yl) imida...) Show SMILES CCOC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H27N7O3/c1-2-36-26(35)32-14-5-6-19(16-32)24-31-21(22-23(27)29-13-15-33(22)24)17-8-10-18(11-9-17)25(34)30-20-7-3-4-12-28-20/h3-4,7-13,15,19H,2,5-6,14,16H2,1H3,(H2,27,29)(H,28,30,34)/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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267518 ((R)-ethyl 3-(8-amino-1-(4-(pyridin-2-ylcarbamoyl)p...) Show SMILES CCNC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2ccccn2)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H28N8O2/c1-2-28-26(36)33-14-5-6-19(16-33)24-32-21(22-23(27)30-13-15-34(22)24)17-8-10-18(11-9-17)25(35)31-20-7-3-4-12-29-20/h3-4,7-13,15,19H,2,5-6,14,16H2,1H3,(H2,27,30)(H,28,36)(H,29,31,35)/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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267520 ((R)-4-(8-amino-3-(1-(3-methyloxetane-3 carbonyl)pi...) Show SMILES CC(C)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C#N)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H28N8O2/c1-17(2)28(38)35-12-3-4-21(16-35)26-34-23(24-25(30)32-11-13-36(24)26)19-5-7-20(8-6-19)27(37)33-22-14-18(15-29)9-10-31-22/h5-11,13-14,17,21H,3-4,12,16H2,1-2H3,(H2,30,32)(H,31,33,37)/t21-/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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267521 ((R)-4-(8-amino-3-(1-isobutyrylpiperidin-3 yl)imida...) Show SMILES CCNC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C#N)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H27N9O2/c1-2-30-27(38)35-12-3-4-20(16-35)25-34-22(23-24(29)32-11-13-36(23)25)18-5-7-19(8-6-18)26(37)33-21-14-17(15-28)9-10-31-21/h5-11,13-14,20H,2-4,12,16H2,1H3,(H2,29,32)(H,30,38)(H,31,33,37)/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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267522 ((R)-4-(8-amino-3-(1-(cyclopropanecarbonyl) piperid...) Show SMILES CC(C)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H28F3N7O2/c1-16(2)27(40)37-12-3-4-19(15-37)25-36-22(23-24(32)34-11-13-38(23)25)17-5-7-18(8-6-17)26(39)35-21-14-20(9-10-33-21)28(29,30)31/h5-11,13-14,16,19H,3-4,12,15H2,1-2H3,(H2,32,34)(H,33,35,39)/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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267523 ((R)-4-(8-amino-3-(1-isobutyrylpiperidin-3-yl)imida...) Show SMILES CC(CO)(CO)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H30F3N7O4/c1-28(15-40,16-41)27(43)38-11-2-3-19(14-38)25-37-22(23-24(33)35-10-12-39(23)25)17-4-6-18(7-5-17)26(42)36-21-13-20(8-9-34-21)29(30,31)32/h4-10,12-13,19,40-41H,2-3,11,14-16H2,1H3,(H2,33,35)(H,34,36,42)/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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267524 ((R)-4-(8-amino-3-(1-(3-hydroxy-2-(hydroxymethyl)-2...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCNC1 |r| Show InChI InChI=1S/C24H22F3N7O/c25-24(26,27)17-7-9-30-18(12-17)32-23(35)15-5-3-14(4-6-15)19-20-21(28)31-10-11-34(20)22(33-19)16-2-1-8-29-13-16/h3-7,9-12,16,29H,1-2,8,13H2,(H2,28,31)(H,30,32,35)/t16-/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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267525 ((R)-4-(8-amino-3-(piperidin-3-yl)imidazo[1,5-a]pyr...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C32H28F3N7O3/c33-32(34,35)24-12-13-37-25(17-24)39-30(43)22-10-8-21(9-11-22)26-27-28(36)38-14-16-42(27)29(40-26)23-7-4-15-41(18-23)31(44)45-19-20-5-2-1-3-6-20/h1-3,5-6,8-14,16-17,23H,4,7,15,18-19H2,(H2,36,38)(H,37,39,43)/t23-/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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267527 ((R)-4-(8-amino-3-(1-(2-cyano-2-methylpropanoyl)pip...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(C1)C(=O)C1CC(F)(F)C1 |r| Show InChI InChI=1S/C31H31F2N7O2/c32-31(33)15-23(16-31)30(42)39-12-1-2-22(17-39)28-38-25(26-27(34)36-11-13-40(26)28)19-5-7-20(8-6-19)29(41)37-24-14-21(9-10-35-24)18-3-4-18/h5-11,13-14,18,22-23H,1-4,12,15-17H2,(H2,34,36)(H,35,37,41)/t22-/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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267528 ((R)-4-(8-amino-3-(1-(3,3-difluorocyclobutanecarbon...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(C1)C(=O)CN1CCOC1=O |r| Show InChI InChI=1S/C31H32N8O4/c32-28-27-26(20-5-7-21(8-6-20)30(41)35-24-16-22(9-10-33-24)19-3-4-19)36-29(39(27)13-11-34-28)23-2-1-12-37(17-23)25(40)18-38-14-15-43-31(38)42/h5-11,13,16,19,23H,1-4,12,14-15,17-18H2,(H2,32,34)(H,33,35,41)/t23-/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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267532 ((R)-4-(8-amino-3-(1-(2-(3,4-dimethylphenylamino)-2...) Show SMILES CCC(=O)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r| Show InChI InChI=1S/C30H31N7O3/c1-2-23(38)30(40)36-14-3-4-22(17-36)28-35-25(26-27(31)33-13-15-37(26)28)19-7-9-20(10-8-19)29(39)34-24-16-21(11-12-32-24)18-5-6-18/h7-13,15-16,18,22H,2-6,14,17H2,1H3,(H2,31,33)(H,32,34,39)/t22-/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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267534 ((R)-4-(8-amino-3-(1-(3,3,3-trifluoro-2-oxopropanoy...) Show SMILES Cc1nnc(o1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12 |r| Show InChI InChI=1S/C30H29N9O3/c1-17-36-37-29(42-17)30(41)38-13-2-3-22(16-38)27-35-24(25-26(31)33-12-14-39(25)27)19-6-8-20(9-7-19)28(40)34-23-15-21(10-11-32-23)18-4-5-18/h6-12,14-15,18,22H,2-5,13,16H2,1H3,(H2,31,33)(H,32,34,40)/t22-/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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267535 ((R)-4-(8-amino-3-(1-(5-methyl-1,3,4-oxadiazole-2-c...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(C1)C(=O)c1ccc(nc1)C#N |r| Show InChI InChI=1S/C33H29N9O2/c34-17-26-10-9-24(18-38-26)33(44)41-14-1-2-25(19-41)31-40-28(29-30(35)37-13-15-42(29)31)21-5-7-22(8-6-21)32(43)39-27-16-23(11-12-36-27)20-3-4-20/h5-13,15-16,18,20,25H,1-4,14,19H2,(H2,35,37)(H,36,39,43)/t25-/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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267536 ((R)-4-(8-amino-3-(1-(6-cyanonicotinoyl)piperidin-3...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(C1)C(=O)c1cc(cs1)C#N |r| Show InChI InChI=1S/C32H28N8O2S/c33-16-19-14-25(43-18-19)32(42)39-12-1-2-24(17-39)30-38-27(28-29(34)36-11-13-40(28)30)21-5-7-22(8-6-21)31(41)37-26-15-23(9-10-35-26)20-3-4-20/h5-11,13-15,18,20,24H,1-4,12,17H2,(H2,34,36)(H,35,37,41)/t24-/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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267537 ((R)-4-(8-amino-3-(1-(4-cyanothiophene-2-carbonyl)p...) Show SMILES NC1=NC=C[N]2=C(NC(=C12)c1ccc(cc1)C(=O)Nc1cc(ccn1)C1CC1)[C@@H]1CCCN(C1)C(=O)N1CCCC1 |r,c:3,t:1,5,8| Show InChI InChI=1S/C31H35N8O2/c32-28-27-26(21-7-9-22(10-8-21)30(40)35-25-18-23(11-12-33-25)20-5-6-20)36-29(39(27)17-13-34-28)24-4-3-16-38(19-24)31(41)37-14-1-2-15-37/h7-13,17-18,20,24,36H,1-6,14-16,19H2,(H2,32,34)(H,33,35,40)/t24-/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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267538 ((R)-4-(8-amino-3-(1-(pyrrolidine-1-carbonyl)piperi...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C3CC3)c12)[C@@H]1CCCN(C1)C(=O)Nc1ccccc1Cl |r| Show InChI InChI=1S/C33H31ClN8O2/c34-25-5-1-2-6-26(25)38-33(44)41-16-3-4-24(19-41)31-40-28(29-30(35)37-15-17-42(29)31)21-9-11-22(12-10-21)32(43)39-27-18-23(13-14-36-27)20-7-8-20/h1-2,5-6,9-15,17-18,20,24H,3-4,7-8,16,19H2,(H2,35,37)(H,38,44)(H,36,39,43)/t24-/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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267547 (4-(8-amino-3-(1-aminopropan-2-yl)imidazo[1,5-a]pyr...) Show SMILES CCC(=O)NCC(C)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |w:8.7| Show InChI InChI=1S/C25H24F3N7O2/c1-3-19(36)32-13-14(2)23-34-20(21-22(29)31-10-11-35(21)23)15-4-6-16(7-5-15)24(37)33-18-12-17(8-9-30-18)25(26,27)28/h4-12,14H,3,13H2,1-2H3,(H2,29,31)(H,32,36)(H,30,33,37)	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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267549 ((R)-4-(8-amino-3-(1-phenethylpiperidin-3-yl)imidaz...) Show SMILES Cn1cc(CN2CCC[C@H](C2)c2nc(-c3ccc(cc3)C(=O)Nc3ccccn3)c3c(N)nccn23)cn1 |r| Show InChI InChI=1S/C28H29N9O/c1-35-16-19(15-32-35)17-36-13-4-5-22(18-36)27-34-24(25-26(29)31-12-14-37(25)27)20-7-9-21(10-8-20)28(38)33-23-6-2-3-11-30-23/h2-3,6-12,14-16,22H,4-5,13,17-18H2,1H3,(H2,29,31)(H,30,33,38)/t22-/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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267553 ((R)-4-(8-amino-3-(1-ethylpiperidin-3-yl)imidazo[1,...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(CC(O)CO)C1 |r| Show InChI InChI=1S/C27H28F3N7O3/c28-27(29,30)19-7-8-32-21(12-19)34-26(40)17-5-3-16(4-6-17)22-23-24(31)33-9-11-37(23)25(35-22)18-2-1-10-36(13-18)14-20(39)15-38/h3-9,11-12,18,20,38-39H,1-2,10,13-15H2,(H2,31,33)(H,32,34,40)/t18-,20?/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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267555 ((R)-4-(8-amino-3-(1-(cyclopropylmethyl)piperidin-3...) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(Cc2ccncc2)C1 |r| Show InChI InChI=1S/C30H27F3N8O/c31-30(32,33)23-9-12-36-24(16-23)38-29(42)21-5-3-20(4-6-21)25-26-27(34)37-13-15-41(26)28(39-25)22-2-1-14-40(18-22)17-19-7-10-35-11-8-19/h3-13,15-16,22H,1-2,14,17-18H2,(H2,34,37)(H,36,38,42)/t22-/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	n/a	n/a	<10	n/a	n/a	7.2	25
MERCK SHARP & DOHME CORP.; MERCK SHARP & DOHME B.V. US Patent					Assay Description Btk enzyme activity is measured using the IMAP (immobilized metal ion affinity-based fluorescence polarization) assay as outlined below. Btk enzyme (...				US Patent US9718828 (2017) BindingDB Entry DOI: 10.7270/Q2H9977T
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 729 total )  |  Next  |  Last  >>

Jump to: