Compile Data Set for Download or QSAR

Found 257 hits with Last Name = 'miyake' and Initial = 't'   

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))	BDBM50459581 (CHEMBL4218481) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C32H35N7O4/c1-32(2,3)22-11-7-20(8-12-22)28(41)35-26-6-4-5-24(25(26)19-40)27-36-30(33)38-31(37-27)34-23-13-9-21(10-14-23)29(42)39-15-17-43-18-16-39/h4-14,40H,15-19H2,1-3H3,(H,35,41)(H3,33,34,36,37,38)	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	<0.300	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
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	0.330	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459578 (CHEMBL4204675) Show SMILES Cn1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N Show InChI InChI=1S/C28H23FN8O2/c1-36-13-18(11-19(36)12-30)32-28-34-25(33-27(31)35-28)20-3-2-4-23(21(20)14-38)37-8-7-16-9-17(15-5-6-15)10-22(29)24(16)26(37)39/h2-4,7-11,13,15,38H,5-6,14H2,1H3,(H3,31,32,33,34,35)	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	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459553 (CHEMBL4209441) Show SMILES Cn1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1 Show InChI InChI=1S/C26H23FN8O2/c1-34-12-17(11-29-34)30-26-32-23(31-25(28)33-26)18-3-2-4-21(19(18)13-36)35-8-7-15-9-16(14-5-6-14)10-20(27)22(15)24(35)37/h2-4,7-12,14,36H,5-6,13H2,1H3,(H3,28,30,31,32,33)	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	0.390	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459577 (CHEMBL4217816) Show SMILES Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc(n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C32H30FN7O3/c33-26-17-21(19-4-5-19)16-20-10-11-40(30(42)28(20)26)27-3-1-2-24(25(27)18-41)29-36-31(34)38-32(37-29)35-22-6-8-23(9-7-22)39-12-14-43-15-13-39/h1-3,6-11,16-17,19,41H,4-5,12-15,18H2,(H3,34,35,36,37,38)	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	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50272596 (CHEMBL4126450) Show SMILES Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)-c1nn[nH]n1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C23H24N6.ClH/c1-16(21-8-4-6-17-5-2-3-7-22(17)21)24-19-13-14-29(15-19)20-11-9-18(10-12-20)23-25-27-28-26-23;/h2-12,16,19,24H,13-15H2,1H3,(H,25,26,27,28);1H/t16-,19+;/m1./s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.470	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459580 (CHEMBL4211893) Show SMILES CC(C1CC1)n1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1 Show InChI InChI=1S/C30H29FN8O2/c1-16(17-5-6-17)39-14-21(13-33-39)34-30-36-27(35-29(32)37-30)22-3-2-4-25(23(22)15-40)38-10-9-19-11-20(18-7-8-18)12-24(31)26(19)28(38)41/h2-4,9-14,16-18,40H,5-8,15H2,1H3,(H3,32,34,35,36,37)	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	0.490	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459560 (CHEMBL4214343) Show SMILES Nc1nc(Nc2cn[nH]c2)nc(n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C25H21FN8O2/c26-19-9-15(13-4-5-13)8-14-6-7-34(23(36)21(14)19)20-3-1-2-17(18(20)12-35)22-31-24(27)33-25(32-22)30-16-10-28-29-11-16/h1-3,6-11,13,35H,4-5,12H2,(H,28,29)(H3,27,30,31,32,33)	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	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459573 (CHEMBL4208062) Show SMILES CC(C)n1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N Show InChI InChI=1S/C30H27FN8O2/c1-16(2)39-14-20(12-21(39)13-32)34-30-36-27(35-29(33)37-30)22-4-3-5-25(23(22)15-40)38-9-8-18-10-19(17-6-7-17)11-24(31)26(18)28(38)41/h3-5,8-12,14,16-17,40H,6-7,15H2,1-2H3,(H3,33,34,35,36,37)	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	0.530	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
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	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated activated human recombinant BTK using FITC-labeled Srctide peptide substrate by mobility shift ...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459579 (CHEMBL4212436) Show SMILES COCCOCCn1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N Show InChI InChI=1S/C32H31FN8O4/c1-44-11-12-45-10-9-40-17-22(15-23(40)16-34)36-32-38-29(37-31(35)39-32)24-3-2-4-27(25(24)18-42)41-8-7-20-13-21(19-5-6-19)14-26(33)28(20)30(41)43/h2-4,7-8,13-15,17,19,42H,5-6,9-12,18H2,1H3,(H3,35,36,37,38,39)	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	0.540	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459558 (CHEMBL4216862) Show SMILES Nc1nc(Nc2cnn(c2)C2CC2)nc(n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C28H25FN8O2/c29-22-11-17(15-4-5-15)10-16-8-9-36(26(39)24(16)22)23-3-1-2-20(21(23)14-38)25-33-27(30)35-28(34-25)32-18-12-31-37(13-18)19-6-7-19/h1-3,8-13,15,19,38H,4-7,14H2,(H3,30,32,33,34,35)	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	0.570	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459572 (CHEMBL4216339) Show SMILES CCn1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cc1C#N Show InChI InChI=1S/C29H25FN8O2/c1-2-37-14-19(12-20(37)13-31)33-29-35-26(34-28(32)36-29)21-4-3-5-24(22(21)15-39)38-9-8-17-10-18(16-6-7-16)11-23(30)25(17)27(38)40/h3-5,8-12,14,16,39H,2,6-7,15H2,1H3,(H3,32,33,34,35,36)	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	0.580	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459571 (CHEMBL4212860) Show SMILES CC1(C)Cc2cc3C(=O)N(CCn3c2C1)c1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C32H36N8O3/c1-32(2)17-20-16-26-29(42)40(11-10-39(26)27(20)18-32)25-5-3-4-23(24(25)19-41)28-35-30(33)37-31(36-28)34-21-6-8-22(9-7-21)38-12-14-43-15-13-38/h3-9,16,41H,10-15,17-19H2,1-2H3,(H3,33,34,35,36,37)	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	0.620	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459554 (CHEMBL4209148) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1nc(N)nc(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C32H35N7O3/c1-20-25(6-5-7-26(20)35-28(40)21-8-12-23(13-9-21)32(2,3)4)27-36-30(33)38-31(37-27)34-24-14-10-22(11-15-24)29(41)39-16-18-42-19-17-39/h5-15H,16-19H2,1-4H3,(H,35,40)(H3,33,34,36,37,38)	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	0.670	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459565 (CHEMBL4217003) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C31H35N7O3/c1-31(2,3)21-9-7-20(8-10-21)28(40)34-26-6-4-5-24(25(26)19-39)27-35-29(32)37-30(36-27)33-22-11-13-23(14-12-22)38-15-17-41-18-16-38/h4-14,39H,15-19H2,1-3H3,(H,34,40)(H3,32,33,35,36,37)	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	0.740	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459568 (CHEMBL4213416) Show SMILES Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc(n1)-c1cccc(NC(=O)c2cc3CCCCc3s2)c1CO Show InChI InChI=1S/C29H31N7O3S/c30-28-33-26(34-29(35-28)31-19-8-10-20(11-9-19)36-12-14-39-15-13-36)21-5-3-6-23(22(21)17-37)32-27(38)25-16-18-4-1-2-7-24(18)40-25/h3,5-6,8-11,16,37H,1-2,4,7,12-15,17H2,(H,32,38)(H3,30,31,33,34,35)	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	0.810	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459559 (CHEMBL4203192) Show SMILES Nc1nc(Nc2cc(C#N)n(c2)C2CC2)nc(n1)-c1cccc(c1CO)-n1ccc2cc(cc(F)c2c1=O)C1CC1 Show InChI InChI=1S/C30H25FN8O2/c31-24-11-18(16-4-5-16)10-17-8-9-38(28(41)26(17)24)25-3-1-2-22(23(25)15-40)27-35-29(33)37-30(36-27)34-19-12-21(13-32)39(14-19)20-6-7-20/h1-3,8-12,14,16,20,40H,4-7,15H2,(H3,33,34,35,36,37)	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	0.860	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50272602 (CHEMBL4126877) Show SMILES Cl.Cl.C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)NCCO)c1cccc2ccccc12 |r| Show InChI InChI=1S/C25H29N3O2.2ClH/c1-18(23-8-4-6-19-5-2-3-7-24(19)23)27-21-13-15-28(17-21)22-11-9-20(10-12-22)25(30)26-14-16-29;;/h2-12,18,21,27,29H,13-17H2,1H3,(H,26,30);2*1H/t18-,21+;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.910	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50223914 (6-((4-(4-fluorophenyl)piperazin-1-yl)methyl)-7-neo...) Show SMILES CC(C)(C)Cn1c(CN2CCN(CC2)c2ccc(F)cc2)cc2cnc(nc12)C#N Show InChI InChI=1S/C23H27FN6/c1-23(2,3)16-30-20(12-17-14-26-21(13-25)27-22(17)30)15-28-8-10-29(11-9-28)19-6-4-18(24)5-7-19/h4-7,12,14H,8-11,15-16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of cathepsin K by fluorescence assay				Bioorg Med Chem Lett 17: 6096-100 (2007) Article DOI: 10.1016/j.bmcl.2007.09.047 BindingDB Entry DOI: 10.7270/Q2G160K6
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50223939 (6-(4-methoxybenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]p...) Show SMILES COc1ccc(Cc2cc3cnc(nc3n2CC(C)(C)C)C#N)cc1 Show InChI InChI=1S/C20H22N4O/c1-20(2,3)13-24-16(9-14-5-7-17(25-4)8-6-14)10-15-12-22-18(11-21)23-19(15)24/h5-8,10,12H,9,13H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of cathepsin K by fluorescence assay				Bioorg Med Chem Lett 17: 6096-100 (2007) Article DOI: 10.1016/j.bmcl.2007.09.047 BindingDB Entry DOI: 10.7270/Q2G160K6
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50223921 (6-(4-(benzo[d][1,3]dioxol-5-yl)benzyl)-7-neopentyl...) Show SMILES CC(C)(C)Cn1c(Cc2ccc(cc2)-c2ccc3OCOc3c2)cc2cnc(nc12)C#N Show InChI InChI=1S/C26H24N4O2/c1-26(2,3)15-30-21(11-20-14-28-24(13-27)29-25(20)30)10-17-4-6-18(7-5-17)19-8-9-22-23(12-19)32-16-31-22/h4-9,11-12,14H,10,15-16H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of cathepsin K by fluorescence assay				Bioorg Med Chem Lett 17: 6096-100 (2007) Article DOI: 10.1016/j.bmcl.2007.09.047 BindingDB Entry DOI: 10.7270/Q2G160K6
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50223935 (CHEMBL399842 | N-(4-((2-cyano-7-neopentyl-7H-pyrro...) Show SMILES CC(C)(C)Cn1c(Cc2ccc(NS(=O)(=O)CC(F)(F)F)cc2)cc2cnc(nc12)C#N Show InChI InChI=1S/C21H22F3N5O2S/c1-20(2,3)12-29-17(9-15-11-26-18(10-25)27-19(15)29)8-14-4-6-16(7-5-14)28-32(30,31)13-21(22,23)24/h4-7,9,11,28H,8,12-13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of cathepsin K by fluorescence assay				Bioorg Med Chem Lett 17: 6096-100 (2007) Article DOI: 10.1016/j.bmcl.2007.09.047 BindingDB Entry DOI: 10.7270/Q2G160K6
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50223915 (6-benzyl-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2...) Show SMILES CC(C)(C)Cn1c(Cc2ccccc2)cc2cnc(nc12)C#N Show InChI InChI=1S/C19H20N4/c1-19(2,3)13-23-16(9-14-7-5-4-6-8-14)10-15-12-21-17(11-20)22-18(15)23/h4-8,10,12H,9,13H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of cathepsin K by fluorescence assay				Bioorg Med Chem Lett 17: 6096-100 (2007) Article DOI: 10.1016/j.bmcl.2007.09.047 BindingDB Entry DOI: 10.7270/Q2G160K6
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50272605 (CHEMBL4128542) Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCCN(C1)c1cccc(OC(F)(F)F)c1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C24H25F3N2O.2ClH/c1-17(22-13-4-8-18-7-2-3-12-23(18)22)28-19-9-6-14-29(16-19)20-10-5-11-21(15-20)30-24(25,26)27;;/h2-5,7-8,10-13,15,17,19,28H,6,9,14,16H2,1H3;2*1H/t17-,19-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50223925 (6-(4-((4-methylpiperazin-1-yl)methyl)benzyl)-7-cyc...) Show SMILES CN1CCN(Cc2ccc(Cc3cc4cnc(nc4n3C3CCCCC3)C#N)cc2)CC1 Show InChI InChI=1S/C26H32N6/c1-30-11-13-31(14-12-30)19-21-9-7-20(8-10-21)15-24-16-22-18-28-25(17-27)29-26(22)32(24)23-5-3-2-4-6-23/h7-10,16,18,23H,2-6,11-15,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of cathepsin K by fluorescence assay				Bioorg Med Chem Lett 17: 6096-100 (2007) Article DOI: 10.1016/j.bmcl.2007.09.047 BindingDB Entry DOI: 10.7270/Q2G160K6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459555 (CHEMBL4205586) Show SMILES CC(C)(C#N)c1cc(F)c2C(=O)N(CCc2c1)c1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C33H33FN8O3/c1-33(2,19-35)21-16-20-10-11-42(30(44)28(20)26(34)17-21)27-5-3-4-24(25(27)18-43)29-38-31(36)40-32(39-29)37-22-6-8-23(9-7-22)41-12-14-45-15-13-41/h3-9,16-17,43H,10-15,18H2,1-2H3,(H3,36,37,38,39,40)	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50223919 (7-(2,2-dimethylpropyl)-6-[(5-fluoro-2-oxospiro[ind...) Show SMILES CC(C)(C)Cn1c(CN2C(=O)C3(CCNCC3)c3cc(F)ccc23)cc2cnc(nc12)C#N Show InChI InChI=1S/C25H27FN6O/c1-24(2,3)15-32-18(10-16-13-29-21(12-27)30-22(16)32)14-31-20-5-4-17(26)11-19(20)25(23(31)33)6-8-28-9-7-25/h4-5,10-11,13,28H,6-9,14-15H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of cathepsin K by fluorescence assay				Bioorg Med Chem Lett 17: 6096-100 (2007) Article DOI: 10.1016/j.bmcl.2007.09.047 BindingDB Entry DOI: 10.7270/Q2G160K6
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50272606 (CHEMBL4125917) Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCCN(C1)c1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |r| Show InChI InChI=1S/C24H25F3N2.2ClH/c1-17(22-13-4-8-18-7-2-3-12-23(18)22)28-20-10-6-14-29(16-20)21-11-5-9-19(15-21)24(25,26)27;;/h2-5,7-9,11-13,15,17,20,28H,6,10,14,16H2,1H3;2*1H/t17-,20-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459575 (CHEMBL4204802) Show SMILES Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc(n1)-c1cccc(NC(=O)c2ccc(cc2)C2CC2)c1CO Show InChI InChI=1S/C30H31N7O3/c31-29-34-27(35-30(36-29)32-22-10-12-23(13-11-22)37-14-16-40-17-15-37)24-2-1-3-26(25(24)18-38)33-28(39)21-8-6-20(7-9-21)19-4-5-19/h1-3,6-13,19,38H,4-5,14-18H2,(H,33,39)(H3,31,32,34,35,36)	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	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459570 (CHEMBL4217295) Show SMILES Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc(n1)-c1cccc(N2CCc3cc(cc(F)c3C2=O)C2CC2)c1CO Show InChI InChI=1S/C32H32FN7O3/c33-26-17-21(19-4-5-19)16-20-10-11-40(30(42)28(20)26)27-3-1-2-24(25(27)18-41)29-36-31(34)38-32(37-29)35-22-6-8-23(9-7-22)39-12-14-43-15-13-39/h1-3,6-9,16-17,19,41H,4-5,10-15,18H2,(H3,34,35,36,37,38)	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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459580 (CHEMBL4211893) Show SMILES CC(C1CC1)n1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1 Show InChI InChI=1S/C30H29FN8O2/c1-16(17-5-6-17)39-14-21(13-33-39)34-30-36-27(35-29(32)37-30)22-3-2-4-25(23(22)15-40)38-10-9-19-11-20(18-7-8-18)12-24(31)26(19)28(38)41/h2-4,9-14,16-18,40H,5-8,15H2,1H3,(H3,32,34,35,36,37)	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	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated activated human recombinant BTK using FITC-labeled Srctide peptide substrate by mobility shift ...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50223910 (6-(4-chlorobenzyl)-7-cyclohexyl-7H-pyrrolo[2,3-d]p...) Show SMILES Clc1ccc(Cc2cc3cnc(nc3n2C2CCCCC2)C#N)cc1 Show InChI InChI=1S/C20H19ClN4/c21-16-8-6-14(7-9-16)10-18-11-15-13-23-19(12-22)24-20(15)25(18)17-4-2-1-3-5-17/h6-9,11,13,17H,1-5,10H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of cathepsin K by fluorescence assay				Bioorg Med Chem Lett 17: 6096-100 (2007) Article DOI: 10.1016/j.bmcl.2007.09.047 BindingDB Entry DOI: 10.7270/Q2G160K6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50452721 (CHEMBL4203409) Show SMILES Cc1c(NC(=O)c2ccc(cc2)C(C)(C)C)cccc1-c1ccnc(Nc2ccc(cc2)C(=O)N2CCOCC2)n1 Show InChI InChI=1S/C33H35N5O3/c1-22-27(6-5-7-28(22)36-30(39)23-8-12-25(13-9-23)33(2,3)4)29-16-17-34-32(37-29)35-26-14-10-24(11-15-26)31(40)38-18-20-41-21-19-38/h5-17H,18-21H2,1-4H3,(H,36,39)(H,34,35,37)	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	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459556 (CHEMBL4205287) Show SMILES CC(C)c1ccc(cc1)C(=O)Nc1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C30H33N7O3/c1-19(2)20-6-8-21(9-7-20)28(39)33-26-5-3-4-24(25(26)18-38)27-34-29(31)36-30(35-27)32-22-10-12-23(13-11-22)37-14-16-40-17-15-37/h3-13,19,38H,14-18H2,1-2H3,(H,33,39)(H3,31,32,34,35,36)	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	2.5	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50223911 (7-neopentyl-6-((pyridin-4-yloxy)methyl)-7H-pyrrolo...) Show SMILES CC(C)(C)Cn1c(COc2ccncc2)cc2cnc(nc12)C#N Show InChI InChI=1S/C18H19N5O/c1-18(2,3)12-23-14(11-24-15-4-6-20-7-5-15)8-13-10-21-16(9-19)22-17(13)23/h4-8,10H,11-12H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of cathepsin K by fluorescence assay				Bioorg Med Chem Lett 17: 6096-100 (2007) Article DOI: 10.1016/j.bmcl.2007.09.047 BindingDB Entry DOI: 10.7270/Q2G160K6
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50376511 (CHEMBL261511) Show SMILES CC(C)(C)CNc1nc(ncc1C#CCN1CCc2ccccc2C1)C#N Show InChI InChI=1S/C22H25N5/c1-22(2,3)16-25-21-18(14-24-20(13-23)26-21)9-6-11-27-12-10-17-7-4-5-8-19(17)15-27/h4-5,7-8,14H,10-12,15-16H2,1-3H3,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K by fluorescence assay				Bioorg Med Chem Lett 18: 2599-603 (2008) Article DOI: 10.1016/j.bmcl.2008.03.036 BindingDB Entry DOI: 10.7270/Q2HT2Q6P
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50223920 (6-(4-morpholinobenzyl)-7-cyclohexyl-7H-pyrrolo[2,3...) Show SMILES N#Cc1ncc2cc(Cc3ccc(cc3)N3CCOCC3)n(C3CCCCC3)c2n1 Show InChI InChI=1S/C24H27N5O/c25-16-23-26-17-19-15-22(29(24(19)27-23)21-4-2-1-3-5-21)14-18-6-8-20(9-7-18)28-10-12-30-13-11-28/h6-9,15,17,21H,1-5,10-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of cathepsin K by fluorescence assay				Bioorg Med Chem Lett 17: 6096-100 (2007) Article DOI: 10.1016/j.bmcl.2007.09.047 BindingDB Entry DOI: 10.7270/Q2G160K6
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50376500 (CHEMBL261700) Show SMILES CC(C)(C)CN(Cc1ccc(cc1)C#CCN1CCC(CC1)N1CCCCC1)c1ccnc(n1)C#N Show InChI InChI=1S/C30H40N6/c1-30(2,3)24-36(29-13-16-32-28(22-31)33-29)23-26-11-9-25(10-12-26)8-7-17-34-20-14-27(15-21-34)35-18-5-4-6-19-35/h9-13,16,27H,4-6,14-15,17-21,23-24H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K by fluorescence assay				Bioorg Med Chem Lett 18: 2599-603 (2008) Article DOI: 10.1016/j.bmcl.2008.03.036 BindingDB Entry DOI: 10.7270/Q2HT2Q6P
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50376507 (CHEMBL429147) Show SMILES CC(C)(C)CNc1nc(ncc1C#CCN1CCN(CC1)S(=O)(=O)CCCCl)C#N Show InChI InChI=1S/C20H29ClN6O2S/c1-20(2,3)16-24-19-17(15-23-18(14-22)25-19)6-4-8-26-9-11-27(12-10-26)30(28,29)13-5-7-21/h15H,5,7-13,16H2,1-3H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K by fluorescence assay				Bioorg Med Chem Lett 18: 2599-603 (2008) Article DOI: 10.1016/j.bmcl.2008.03.036 BindingDB Entry DOI: 10.7270/Q2HT2Q6P
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459552 (CHEMBL4208482) Show SMILES CC(C)(C)c1ccc2C(=O)N(Cc2c1)c1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C32H35N7O3/c1-32(2,3)21-7-12-24-20(17-21)18-39(29(24)41)27-6-4-5-25(26(27)19-40)28-35-30(33)37-31(36-28)34-22-8-10-23(11-9-22)38-13-15-42-16-14-38/h4-12,17,40H,13-16,18-19H2,1-3H3,(H3,33,34,35,36,37)	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	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50376503 (CHEMBL261516) Show SMILES CN1CCN(CC#Cc2ccc(CN(CC(C)(C)C)c3ccnc(n3)C#N)cc2)CC1 Show InChI InChI=1S/C25H32N6/c1-25(2,3)20-31(24-11-12-27-23(18-26)28-24)19-22-9-7-21(8-10-22)6-5-13-30-16-14-29(4)15-17-30/h7-12H,13-17,19-20H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin K by fluorescence assay				Bioorg Med Chem Lett 18: 2599-603 (2008) Article DOI: 10.1016/j.bmcl.2008.03.036 BindingDB Entry DOI: 10.7270/Q2HT2Q6P
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50223940 (6-((4,5-dichloro-1H-imidazol-1-yl)methyl)-7-neopen...) Show SMILES CC(C)(C)Cn1c(Cn2cnc(Cl)c2Cl)cc2cnc(nc12)C#N Show InChI InChI=1S/C16H16Cl2N6/c1-16(2,3)8-24-11(7-23-9-21-13(17)14(23)18)4-10-6-20-12(5-19)22-15(10)24/h4,6,9H,7-8H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of cathepsin K by fluorescence assay				Bioorg Med Chem Lett 17: 6096-100 (2007) Article DOI: 10.1016/j.bmcl.2007.09.047 BindingDB Entry DOI: 10.7270/Q2G160K6
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50223936 (6-((5,5-dimethyl-2,4-dioxooxazolidin-3-yl)methyl)-...) Show SMILES CC(C)(C)Cn1c(CN2C(=O)OC(C)(C)C2=O)cc2cnc(nc12)C#N Show InChI InChI=1S/C18H21N5O3/c1-17(2,3)10-23-12(6-11-8-20-13(7-19)21-14(11)23)9-22-15(24)18(4,5)26-16(22)25/h6,8H,9-10H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of cathepsin K by fluorescence assay				Bioorg Med Chem Lett 17: 6096-100 (2007) Article DOI: 10.1016/j.bmcl.2007.09.047 BindingDB Entry DOI: 10.7270/Q2G160K6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459567 (CHEMBL4215004) Show SMILES CC(C)(C)c1ccc(s1)C(=O)Nc1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C29H33N7O3S/c1-29(2,3)24-12-11-23(40-24)26(38)32-22-6-4-5-20(21(22)17-37)25-33-27(30)35-28(34-25)31-18-7-9-19(10-8-18)36-13-15-39-16-14-36/h4-12,37H,13-17H2,1-3H3,(H,32,38)(H3,30,31,33,34,35)	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459553 (CHEMBL4209441) Show SMILES Cn1cc(Nc2nc(N)nc(n2)-c2cccc(c2CO)-n2ccc3cc(cc(F)c3c2=O)C2CC2)cn1 Show InChI InChI=1S/C26H23FN8O2/c1-34-12-17(11-29-34)30-26-32-23(31-25(28)33-26)18-3-2-4-21(19(18)13-36)35-8-7-15-9-16(14-5-6-14)10-20(27)22(15)24(35)37/h2-4,7-12,14,36H,5-6,13H2,1H3,(H3,28,30,31,32,33)	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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated activated human recombinant BTK using FITC-labeled Srctide peptide substrate by mobility shift ...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459569 (CHEMBL4204140) Show SMILES Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc(n1)-c1cccc(N2CCc3cc(ccc3C2=O)C2CC2)c1CO Show InChI InChI=1S/C32H33N7O3/c33-31-35-29(36-32(37-31)34-23-7-9-24(10-8-23)38-14-16-42-17-15-38)26-2-1-3-28(27(26)19-40)39-13-12-22-18-21(20-4-5-20)6-11-25(22)30(39)41/h1-3,6-11,18,20,40H,4-5,12-17,19H2,(H3,33,34,35,36,37)	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	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459557 (CHEMBL4209020) Show SMILES Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc(n1)-c1cccc(c1CO)-n1ncc2cc(ccc2c1=O)C1CC1 Show InChI InChI=1S/C31H30N8O3/c32-30-35-28(36-31(37-30)34-22-7-9-23(10-8-22)38-12-14-42-15-13-38)25-2-1-3-27(26(25)18-40)39-29(41)24-11-6-20(19-4-5-19)16-21(24)17-33-39/h1-3,6-11,16-17,19,40H,4-5,12-15,18H2,(H3,32,34,35,36,37)	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	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair
Extracellular calcium-sensing receptor (Rattus norvegicus)	BDBM50272607 (CHEMBL4126057) Show SMILES Cl.Cl.C[C@@H](N[C@@H]1CCN(C1)c1cccc(OC(F)(F)F)c1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C23H23F3N2O.2ClH/c1-16(21-11-4-7-17-6-2-3-10-22(17)21)27-18-12-13-28(15-18)19-8-5-9-20(14-19)29-23(24,25)26;;/h2-11,14,16,18,27H,12-13,15H2,1H3;2*1H/t16-,18-;;/m1../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Agonist activity at CaSR in rat parathyroid cells assessed as inhibition of PTH (1 to 84 residues) production in presence of Cacl2 by ELISA				Bioorg Med Chem Lett 28: 2055-2060 (2018) Article DOI: 10.1016/j.bmcl.2018.04.055 BindingDB Entry DOI: 10.7270/Q2DF6TP0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM50459576 (CHEMBL4209666) Show SMILES CN(C)c1ccc(cc1)C(=O)Nc1cccc(c1CO)-c1nc(N)nc(Nc2ccc(cc2)N2CCOCC2)n1 Show InChI InChI=1S/C29H32N8O3/c1-36(2)21-10-6-19(7-11-21)27(39)32-25-5-3-4-23(24(25)18-38)26-33-28(30)35-29(34-26)31-20-8-12-22(13-9-20)37-14-16-40-17-15-37/h3-13,38H,14-18H2,1-2H3,(H,32,39)(H3,30,31,33,34,35)	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	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Carna Biosciences, Inc. Curated by ChEMBL					Assay Description Inhibition of N-terminal DYKDDDDK tagged biotinylated unactivated human recombinant BTK using FITC-labeled Srctide peptide substrate by by mobility s...				J Med Chem 61: 8917-8933 (2018) Article DOI: 10.1021/acs.jmedchem.8b01147 BindingDB Entry DOI: 10.7270/Q2ZS305M
					More data for this Ligand-Target Pair

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