Compile Data Set for Download or QSAR

Found 146 hits Enz. Inhib. hit(s) with all data for entry = 50001110   

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))	BDBM267873 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) Show SMILES CC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H23F4N7O2/c1-14(38)36-9-2-3-16(13-36)24-35-21(22-23(31)33-8-10-37(22)24)18-5-4-15(11-19(18)27)25(39)34-20-12-17(6-7-32-20)26(28,29)30/h4-8,10-12,16H,2-3,9,13H2,1H3,(H2,31,33)(H,32,34,39)/t16-/m1/s1	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	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as s...				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) Show SMILES COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H25F4N7O3/c1-41-14-21(39)37-9-2-3-16(13-37)25-36-22(23-24(32)34-8-10-38(23)25)18-5-4-15(11-19(18)28)26(40)35-20-12-17(6-7-33-20)27(29,30)31/h4-8,10-12,16H,2-3,9,13-14H2,1H3,(H2,32,34)(H,33,35,40)/t16-/m1/s1	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as s...				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50269557 (CHEMBL4069387) Show SMILES CC(C)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H27F4N7O2/c1-15(2)27(41)38-10-3-4-17(14-38)25-37-22(23-24(33)35-9-11-39(23)25)19-6-5-16(12-20(19)29)26(40)36-21-13-18(7-8-34-21)28(30,31)32/h5-9,11-13,15,17H,3-4,10,14H2,1-2H3,(H2,33,35)(H,34,36,40)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as s...				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267703 ((R)-4-(8-amino-5-deutero-3-(1-(3-methoxypropanoyl)...) Show SMILES CC1(COC1)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/C29H28F3N7O3/c1-28(15-42-16-28)27(41)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(40)36-21-13-20(8-9-34-21)29(30,31)32/h4-10,12-13,19H,2-3,11,14-16H2,1H3,(H2,33,35)(H,34,36,40)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as s...				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50269570 (CHEMBL4081661) Show SMILES CC1(CCC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C30H29F4N7O2/c1-29(8-3-9-29)28(43)40-12-2-4-18(16-40)26-39-23(24-25(35)37-11-13-41(24)26)20-6-5-17(14-21(20)31)27(42)38-22-15-19(7-10-36-22)30(32,33)34/h5-7,10-11,13-15,18H,2-4,8-9,12,16H2,1H3,(H2,35,37)(H,36,38,42)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as s...				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267935 (4-{8-amino-3-[(2R)-4-oxetan-3-ylmorpholin-2-yl]imi...) Show SMILES COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H23F4N7O4/c1-40-13-20(38)36-8-9-41-18(12-36)24-35-21(22-23(31)33-6-7-37(22)24)16-3-2-14(10-17(16)27)25(39)34-19-11-15(4-5-32-19)26(28,29)30/h2-7,10-11,18H,8-9,12-13H2,1H3,(H2,31,33)(H,32,34,39)/t18-/m1/s1	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	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as s...				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50269554 (CHEMBL4096669) Show SMILES C[C@H]1CO[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H25F4N7O3/c1-14-13-42-20(12-39(14)27(41)15-2-3-15)25-37-22(23-24(33)35-8-9-38(23)25)18-5-4-16(10-19(18)29)26(40)36-21-11-17(6-7-34-21)28(30,31)32/h4-11,14-15,20H,2-3,12-13H2,1H3,(H2,33,35)(H,34,36,40)/t14-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as s...				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50269562 (CHEMBL4065907) Show SMILES CC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C25H21F4N7O3/c1-13(37)35-8-9-39-18(12-35)23-34-20(21-22(30)32-6-7-36(21)23)16-3-2-14(10-17(16)26)24(38)33-19-11-15(4-5-31-19)25(27,28)29/h2-7,10-11,18H,8-9,12H2,1H3,(H2,30,32)(H,31,33,38)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as s...				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50269556 (CHEMBL4075954) Show SMILES CC(C)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H25F4N7O3/c1-14(2)26(40)37-9-10-41-19(13-37)24-36-21(22-23(32)34-7-8-38(22)24)17-4-3-15(11-18(17)28)25(39)35-20-12-16(5-6-33-20)27(29,30)31/h3-8,11-12,14,19H,9-10,13H2,1-2H3,(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 Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as s...				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50269555 (CHEMBL4060757) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C1CCOCC1 |r| Show InChI InChI=1S/C28H27F4N7O3/c29-20-13-16(27(40)36-22-14-17(3-6-34-22)28(30,31)32)1-2-19(20)23-24-25(33)35-7-8-39(24)26(37-23)21-15-38(9-12-42-21)18-4-10-41-11-5-18/h1-3,6-8,13-14,18,21H,4-5,9-12,15H2,(H2,33,35)(H,34,36,40)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as s...				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50269569 (CHEMBL4059723) Show SMILES CC1(CCC1)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H27F4N7O3/c1-28(6-2-7-28)27(42)39-11-12-43-20(15-39)25-38-22(23-24(34)36-9-10-40(23)25)18-4-3-16(13-19(18)30)26(41)37-21-14-17(5-8-35-21)29(31,32)33/h3-5,8-10,13-14,20H,2,6-7,11-12,15H2,1H3,(H2,34,36)(H,35,37,41)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as s...				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50269558 (CHEMBL4077588) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C1CCOCC1 |r| Show InChI InChI=1S/C29H29F4N7O2/c30-22-14-17(28(41)37-23-15-19(5-8-35-23)29(31,32)33)3-4-21(22)24-25-26(34)36-9-11-40(25)27(38-24)18-2-1-10-39(16-18)20-6-12-42-13-7-20/h3-5,8-9,11,14-15,18,20H,1-2,6-7,10,12-13,16H2,(H2,34,36)(H,35,37,41)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as s...				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267878 (4-{8-amino-3-[(2R)-4-(3-methoxypropanoyl)morpholin...) Show SMILES CC1(COC1)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H26F3N7O4/c1-27(14-41-15-27)26(40)37-10-11-42-19(13-37)24-36-21(22-23(32)34-8-9-38(22)24)16-2-4-17(5-3-16)25(39)35-20-12-18(6-7-33-20)28(29,30)31/h2-9,12,19H,10-11,13-15H2,1H3,(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	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as s...				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50269563 (CHEMBL4104254) Show SMILES CC1(COC1)C(=O)N1CC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H26F3N7O3/c1-27(14-41-15-27)26(40)37-10-7-18(13-37)24-36-21(22-23(32)34-9-11-38(22)24)16-2-4-17(5-3-16)25(39)35-20-12-19(6-8-33-20)28(29,30)31/h2-6,8-9,11-12,18H,7,10,13-15H2,1H3,(H2,32,34)(H,33,35,39)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as s...				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50269561 (CHEMBL4097247) Show SMILES COCCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H26F3N7O4/c1-40-12-7-21(38)36-11-13-41-19(15-36)25-35-22(23-24(31)33-9-10-37(23)25)16-2-4-17(5-3-16)26(39)34-20-14-18(6-8-32-20)27(28,29)30/h2-6,8-10,14,19H,7,11-13,15H2,1H3,(H2,31,33)(H,32,34,39)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as s...				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50269560 (CHEMBL4078497) Show SMILES CC1(COC1)C(=O)N1CCC(CC1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 Show InChI InChI=1S/C29H28F3N7O3/c1-28(15-42-16-28)27(41)38-11-7-18(8-12-38)25-37-22(23-24(33)35-10-13-39(23)25)17-2-4-19(5-3-17)26(40)36-21-14-20(6-9-34-21)29(30,31)32/h2-6,9-10,13-14,18H,7-8,11-12,15-16H2,1H3,(H2,33,35)(H,34,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as s...				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50269557 (CHEMBL4069387) Show SMILES CC(C)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H27F4N7O2/c1-15(2)27(41)38-10-3-4-17(14-38)25-37-22(23-24(33)35-9-11-39(23)25)19-6-5-16(12-20(19)29)26(40)36-21-13-18(7-8-34-21)28(30,31)32/h5-9,11-13,15,17H,3-4,10,14H2,1-2H3,(H2,33,35)(H,34,36,40)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of BTK in human PBMC assessed as reduction in anti-IgM-induced MIP1beta				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50269554 (CHEMBL4096669) Show SMILES C[C@H]1CO[C@H](CN1C(=O)C1CC1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H25F4N7O3/c1-14-13-42-20(12-39(14)27(41)15-2-3-15)25-37-22(23-24(33)35-8-9-38(23)25)18-5-4-16(10-19(18)29)26(40)36-21-11-17(6-7-34-21)28(30,31)32/h4-11,14-15,20H,2-3,12-13H2,1H3,(H2,33,35)(H,34,36,40)/t14-,20+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of BTK in human PBMC assessed as reduction in anti-IgM-induced MIP1beta				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267958 (4-[8-amino-3-(1-ethyl-2-oxopiperidin-4-yl)imidazo[...) Show SMILES CC1(COC1)C(=O)N1CCCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C30H30F3N7O3/c1-29(16-43-17-29)28(42)39-12-3-2-4-20(15-39)26-38-23(24-25(34)36-11-13-40(24)26)18-5-7-19(8-6-18)27(41)37-22-14-21(9-10-35-22)30(31,32)33/h5-11,13-14,20H,2-4,12,15-17H2,1H3,(H2,34,36)(H,35,37,41)/t20-/m1/s1	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	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as s...				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50269568 (CHEMBL4086348) Show SMILES CC1(COC1)C(=O)N1CC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 Show InChI InChI=1S/C27H24F3N7O3/c1-26(13-40-14-26)25(39)36-11-17(12-36)23-35-20(21-22(31)33-8-9-37(21)23)15-2-4-16(5-3-15)24(38)34-19-10-18(6-7-32-19)27(28,29)30/h2-10,17H,11-14H2,1H3,(H2,31,33)(H,32,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as s...				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50269562 (CHEMBL4065907) Show SMILES CC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C25H21F4N7O3/c1-13(37)35-8-9-39-18(12-35)23-34-20(21-22(30)32-6-7-36(21)23)16-3-2-14(10-17(16)26)24(38)33-19-11-15(4-5-31-19)25(27,28)29/h2-7,10-11,18H,8-9,12H2,1H3,(H2,30,32)(H,31,33,38)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of BTK in human PBMC assessed as reduction in anti-IgM-induced MIP1beta				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267956 (4-(8-amino-3-{4-[(1-cyanocyclopropyl)carbonyl]-1,1...) Show SMILES COCCC(=O)N1CCSC(C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 Show InChI InChI=1S/C27H26F3N7O3S/c1-40-12-7-21(38)36-11-13-41-19(15-36)25-35-22(23-24(31)33-9-10-37(23)25)16-2-4-17(5-3-16)26(39)34-20-14-18(6-8-32-20)27(28,29)30/h2-6,8-10,14,19H,7,11-13,15H2,1H3,(H2,31,33)(H,32,34,39)	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	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as s...				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50269570 (CHEMBL4081661) Show SMILES CC1(CCC1)C(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C30H29F4N7O2/c1-29(8-3-9-29)28(43)40-12-2-4-18(16-40)26-39-23(24-25(35)37-11-13-41(24)26)20-6-5-17(14-21(20)31)27(42)38-22-15-19(7-10-36-22)30(32,33)34/h5-7,10-11,13-15,18H,2-4,8-9,12,16H2,1H3,(H2,35,37)(H,36,38,42)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of BTK in human PBMC assessed as reduction in anti-IgM-induced MIP1beta				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50269558 (CHEMBL4077588) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C1CCOCC1 |r| Show InChI InChI=1S/C29H29F4N7O2/c30-22-14-17(28(41)37-23-15-19(5-8-35-23)29(31,32)33)3-4-21(22)24-25-26(34)36-9-11-40(25)27(38-24)18-2-1-10-39(16-18)20-6-12-42-13-7-20/h3-5,8-9,11,14-15,18,20H,1-2,6-7,10,12-13,16H2,(H2,34,36)(H,35,37,41)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of LCK (unknown origin)				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267703 ((R)-4-(8-amino-5-deutero-3-(1-(3-methoxypropanoyl)...) Show SMILES CC1(COC1)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/C29H28F3N7O3/c1-28(15-42-16-28)27(41)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(40)36-21-13-20(8-9-34-21)29(30,31)32/h4-10,12-13,19H,2-3,11,14-16H2,1H3,(H2,33,35)(H,34,36,40)/t19-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of BTK in human PBMC assessed as reduction in anti-IgM-induced MIP1beta				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) Show SMILES COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H25F4N7O3/c1-41-14-21(39)37-9-2-3-16(13-37)25-36-22(23-24(32)34-8-10-38(23)25)18-5-4-15(11-19(18)28)26(40)35-20-12-17(6-7-33-20)27(29,30)31/h4-8,10-12,16H,2-3,9,13-14H2,1H3,(H2,32,34)(H,33,35,40)/t16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of BLK (unknown origin)				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) Show SMILES COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H25F4N7O3/c1-41-14-21(39)37-9-2-3-16(13-37)25-36-22(23-24(32)34-8-10-38(23)25)18-5-4-15(11-19(18)28)26(40)35-20-12-17(6-7-33-20)27(29,30)31/h4-8,10-12,16H,2-3,9,13-14H2,1H3,(H2,32,34)(H,33,35,40)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of LCK (unknown origin)				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267578 (4-(8-amino-3-((trans)-3-isobutyramidocyclohexyl) i...) Show SMILES CC1(COC1)C(=O)N[C@@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C30H30F3N7O3/c1-29(15-43-16-29)28(42)37-21-4-2-3-19(13-21)26-39-23(24-25(34)36-11-12-40(24)26)17-5-7-18(8-6-17)27(41)38-22-14-20(9-10-35-22)30(31,32)33/h5-12,14,19,21H,2-4,13,15-16H2,1H3,(H2,34,36)(H,37,42)(H,35,38,41)/t19-,21-/m1/s1	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant full-length His6-tagged BTK (unknown origin) expressed in baculovirus infected Sf9 cells using biotinylated A5 peptide as s...				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267873 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) Show SMILES CC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H23F4N7O2/c1-14(38)36-9-2-3-16(13-36)24-35-21(22-23(31)33-8-10-37(22)24)18-5-4-15(11-19(18)27)25(39)34-20-12-17(6-7-32-20)26(28,29)30/h4-8,10-12,16H,2-3,9,13H2,1H3,(H2,31,33)(H,32,34,39)/t16-/m1/s1	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	11	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of BTK in human PBMC assessed as reduction in anti-IgM-induced MIP1beta				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50269555 (CHEMBL4060757) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C1CCOCC1 |r| Show InChI InChI=1S/C28H27F4N7O3/c29-20-13-16(27(40)36-22-14-17(3-6-34-22)28(30,31)32)1-2-19(20)23-24-25(33)35-7-8-39(24)26(37-23)21-15-38(9-12-42-21)18-4-10-41-11-5-18/h1-3,6-8,13-14,18,21H,4-5,9-12,15H2,(H2,33,35)(H,34,36,40)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of BTK in human PBMC assessed as reduction in anti-IgM-induced MIP1beta				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) Show SMILES COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H25F4N7O3/c1-41-14-21(39)37-9-2-3-16(13-37)25-36-22(23-24(32)34-8-10-38(23)25)18-5-4-15(11-19(18)28)26(40)35-20-12-17(6-7-33-20)27(29,30)31/h4-8,10-12,16H,2-3,9,13-14H2,1H3,(H2,32,34)(H,33,35,40)/t16-/m1/s1	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of BTK in human PBMC assessed as reduction in anti-IgM-induced MIP1beta				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267935 (4-{8-amino-3-[(2R)-4-oxetan-3-ylmorpholin-2-yl]imi...) Show SMILES COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H23F4N7O4/c1-40-13-20(38)36-8-9-41-18(12-36)24-35-21(22-23(31)33-6-7-37(22)24)16-3-2-14(10-17(16)27)25(39)34-19-11-15(4-5-32-19)26(28,29)30/h2-7,10-11,18H,8-9,12-13H2,1H3,(H2,31,33)(H,32,34,39)/t18-/m1/s1	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of BTK in human PBMC assessed as reduction in anti-IgM-induced MIP1beta				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Srms (Homo sapiens (Human))	BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) Show SMILES COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H25F4N7O3/c1-41-14-21(39)37-9-2-3-16(13-37)25-36-22(23-24(32)34-8-10-38(23)25)18-5-4-15(11-19(18)28)26(40)35-20-12-17(6-7-33-20)27(29,30)31/h4-8,10-12,16H,2-3,9,13-14H2,1H3,(H2,32,34)(H,33,35,40)/t16-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of SRMS (unknown origin)				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Cytoplasmic tyrosine-protein kinase BMX (Homo sapiens (Human))	BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) Show SMILES COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H25F4N7O3/c1-41-14-21(39)37-9-2-3-16(13-37)25-36-22(23-24(32)34-8-10-38(23)25)18-5-4-15(11-19(18)28)26(40)35-20-12-17(6-7-33-20)27(29,30)31/h4-8,10-12,16H,2-3,9,13-14H2,1H3,(H2,32,34)(H,33,35,40)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of BMX (unknown origin)				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50269555 (CHEMBL4060757) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C1CCOCC1 |r| Show InChI InChI=1S/C28H27F4N7O3/c29-20-13-16(27(40)36-22-14-17(3-6-34-22)28(30,31)32)1-2-19(20)23-24-25(33)35-7-8-39(24)26(37-23)21-15-38(9-12-42-21)18-4-10-41-11-5-18/h1-3,6-8,13-14,18,21H,4-5,9-12,15H2,(H2,33,35)(H,34,36,40)/t21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of LCK (unknown origin)				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fgr (Homo sapiens (Human))	BDBM50269558 (CHEMBL4077588) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C1CCOCC1 |r| Show InChI InChI=1S/C29H29F4N7O2/c30-22-14-17(28(41)37-23-15-19(5-8-35-23)29(31,32)33)3-4-21(22)24-25-26(34)36-9-11-40(25)27(38-24)18-2-1-10-39(16-18)20-6-12-42-13-7-20/h3-5,8-9,11,14-15,18,20H,1-2,6-7,10,12-13,16H2,(H2,34,36)(H,35,37,41)/t18-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of FGR (unknown origin)				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50269556 (CHEMBL4075954) Show SMILES CC(C)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H25F4N7O3/c1-14(2)26(40)37-9-10-41-19(13-37)24-36-21(22-23(32)34-7-8-38(22)24)17-4-3-15(11-18(17)28)25(39)35-20-12-16(5-6-33-20)27(29,30)31/h3-8,11-12,14,19H,9-10,13H2,1-2H3,(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 Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of BTK in human PBMC assessed as reduction in anti-IgM-induced MIP1beta				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fgr (Homo sapiens (Human))	BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) Show SMILES COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H25F4N7O3/c1-41-14-21(39)37-9-2-3-16(13-37)25-36-22(23-24(32)34-8-10-38(23)25)18-5-4-15(11-19(18)28)26(40)35-20-12-17(6-7-33-20)27(29,30)31/h4-8,10-12,16H,2-3,9,13-14H2,1H3,(H2,32,34)(H,33,35,40)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of FGR (unknown origin)				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM267935 (4-{8-amino-3-[(2R)-4-oxetan-3-ylmorpholin-2-yl]imi...) Show SMILES COCC(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C26H23F4N7O4/c1-40-13-20(38)36-8-9-41-18(12-36)24-35-21(22-23(31)33-6-7-37(22)24)16-3-2-14(10-17(16)27)25(39)34-19-11-15(4-5-32-19)26(28,29)30/h2-7,10-11,18H,8-9,12-13H2,1H3,(H2,31,33)(H,32,34,39)/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of LCK (unknown origin)				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM50269558 (CHEMBL4077588) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C1CCOCC1 |r| Show InChI InChI=1S/C29H29F4N7O2/c30-22-14-17(28(41)37-23-15-19(5-8-35-23)29(31,32)33)3-4-21(22)24-25-26(34)36-9-11-40(25)27(38-24)18-2-1-10-39(16-18)20-6-12-42-13-7-20/h3-5,8-9,11,14-15,18,20H,1-2,6-7,10,12-13,16H2,(H2,34,36)(H,35,37,41)/t18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of BLK (unknown origin)				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Yes (Homo sapiens (Human))	BDBM50269558 (CHEMBL4077588) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C1CCOCC1 |r| Show InChI InChI=1S/C29H29F4N7O2/c30-22-14-17(28(41)37-23-15-19(5-8-35-23)29(31,32)33)3-4-21(22)24-25-26(34)36-9-11-40(25)27(38-24)18-2-1-10-39(16-18)20-6-12-42-13-7-20/h3-5,8-9,11,14-15,18,20H,1-2,6-7,10,12-13,16H2,(H2,34,36)(H,35,37,41)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of YES1 (unknown origin)				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50269569 (CHEMBL4059723) Show SMILES CC1(CCC1)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C29H27F4N7O3/c1-28(6-2-7-28)27(42)39-11-12-43-20(15-39)25-38-22(23-24(34)36-9-10-40(23)25)18-4-3-16(13-19(18)30)26(41)37-21-14-17(5-8-35-21)29(31,32)33/h3-5,8-10,13-14,20H,2,6-7,11-12,15H2,1H3,(H2,34,36)(H,35,37,41)/t20-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of BTK in human PBMC assessed as reduction in anti-IgM-induced MIP1beta				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Yes (Homo sapiens (Human))	BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) Show SMILES COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H25F4N7O3/c1-41-14-21(39)37-9-2-3-16(13-37)25-36-22(23-24(32)34-8-10-38(23)25)18-5-4-15(11-19(18)28)26(40)35-20-12-17(6-7-33-20)27(29,30)31/h4-8,10-12,16H,2-3,9,13-14H2,1H3,(H2,32,34)(H,33,35,40)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of YES1 (unknown origin)				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50269563 (CHEMBL4104254) Show SMILES CC1(COC1)C(=O)N1CC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H26F3N7O3/c1-27(14-41-15-27)26(40)37-10-7-18(13-37)24-36-21(22-23(32)34-9-11-38(22)24)16-2-4-17(5-3-16)25(39)35-20-12-19(6-8-33-20)28(29,30)31/h2-6,8-9,11-12,18H,7,10,13-15H2,1H3,(H2,32,34)(H,33,35,39)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of BTK in human PBMC assessed as reduction in anti-IgM-induced MIP1beta				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Fgr (Homo sapiens (Human))	BDBM50269555 (CHEMBL4060757) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C1CCOCC1 |r| Show InChI InChI=1S/C28H27F4N7O3/c29-20-13-16(27(40)36-22-14-17(3-6-34-22)28(30,31)32)1-2-19(20)23-24-25(33)35-7-8-39(24)26(37-23)21-15-38(9-12-42-21)18-4-10-41-11-5-18/h1-3,6-8,13-14,18,21H,4-5,9-12,15H2,(H2,33,35)(H,34,36,40)/t21-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of FGR (unknown origin)				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase TXK (Homo sapiens (Human))	BDBM267959 (4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbony...) Show SMILES COCC(=O)N1CCC[C@H](C1)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C27H25F4N7O3/c1-41-14-21(39)37-9-2-3-16(13-37)25-36-22(23-24(32)34-8-10-38(23)25)18-5-4-15(11-19(18)28)26(40)35-20-12-17(6-7-33-20)27(29,30)31/h4-8,10-12,16H,2-3,9,13-14H2,1H3,(H2,32,34)(H,33,35,40)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of TXK (unknown origin)				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM267878 (4-{8-amino-3-[(2R)-4-(3-methoxypropanoyl)morpholin...) Show SMILES CC1(COC1)C(=O)N1CCO[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12 |r| Show InChI InChI=1S/C28H26F3N7O4/c1-27(14-41-15-27)26(40)37-10-11-42-19(13-37)24-36-21(22-23(32)34-8-9-38(22)24)16-2-4-17(5-3-16)25(39)35-20-12-18(6-7-33-20)28(29,30)31/h2-9,12,19H,10-11,13-15H2,1H3,(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	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of BTK in human PBMC assessed as reduction in anti-IgM-induced MIP1beta				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Protein-tyrosine kinase 6 (Homo sapiens (Human))	BDBM50269558 (CHEMBL4077588) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C1CCOCC1 |r| Show InChI InChI=1S/C29H29F4N7O2/c30-22-14-17(28(41)37-23-15-19(5-8-35-23)29(31,32)33)3-4-21(22)24-25-26(34)36-9-11-40(25)27(38-24)18-2-1-10-39(16-18)20-6-12-42-13-7-20/h3-5,8-9,11,14-15,18,20H,1-2,6-7,10,12-13,16H2,(H2,34,36)(H,35,37,41)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of PTK6 (unknown origin)				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Srms (Homo sapiens (Human))	BDBM50269558 (CHEMBL4077588) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CCCN(C1)C1CCOCC1 |r| Show InChI InChI=1S/C29H29F4N7O2/c30-22-14-17(28(41)37-23-15-19(5-8-35-23)29(31,32)33)3-4-21(22)24-25-26(34)36-9-11-40(25)27(38-24)18-2-1-10-39(16-18)20-6-12-42-13-7-20/h3-5,8-9,11,14-15,18,20H,1-2,6-7,10,12-13,16H2,(H2,34,36)(H,35,37,41)/t18-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of SRMS (unknown origin)				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Blk (Homo sapiens (Human))	BDBM50269555 (CHEMBL4060757) Show SMILES Nc1nccn2c(nc(-c3ccc(cc3F)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@H]1CN(CCO1)C1CCOCC1 |r| Show InChI InChI=1S/C28H27F4N7O3/c29-20-13-16(27(40)36-22-14-17(3-6-34-22)28(30,31)32)1-2-19(20)23-24-25(33)35-7-8-39(24)26(37-23)21-15-38(9-12-42-21)18-4-10-41-11-5-18/h1-3,6-8,13-14,18,21H,4-5,9-12,15H2,(H2,33,35)(H,34,36,40)/t21-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Department of Early Development and Discovery Sciences, MRL, Merck& Co., Inc., 126 East Lincoln Avenue, Rahway, NJ 07065, USA. Electronic address: sobhana.babu.boga@merck.com. Curated by ChEMBL					Assay Description Inhibition of BLK (unknown origin)				Bioorg Med Chem Lett 27: 3939-3943 (2017) Article DOI: 10.1016/j.bmcl.2017.03.040 BindingDB Entry DOI: 10.7270/Q2959M2W
					More data for this Ligand-Target Pair

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