Compile Data Set for Download or QSAR

Found 18 hits of ic50 for monomerid = 50269555   

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))	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))	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 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))	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 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
Tyrosine-protein kinase Yes (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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 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 Srms (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	65	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
Receptor tyrosine-protein kinase erbB-4 (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 UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	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 ERBB4 (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
Proto-oncogene tyrosine-protein kinase Src (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	112	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 SRC (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
Protein-tyrosine kinase 6 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	113	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 FRK (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	132	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 FRK (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 Tec (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	191	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 TEC (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))	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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	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 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 Fyn (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	248	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 FYN (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))	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	282	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 Lyn (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	399	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 LYNB (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 CSK (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	665	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 CSK (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
Potassium voltage-gated channel subfamily H member 2 (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	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 human ERG by [35S]-MK499 displacement or iKr channel assay				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