Compile Data Set for Download or QSAR

Found 1290 hits with Last Name = 'morley' and Initial = 'a'   

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
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM448544 (N-(2-(4-(furan-2-ylmethyl)piperazin-1-yl)-5- (trif...) Show SMILES FC(F)(F)c1ccc(N2CCN(Cc3ccco3)CC2)c(NC(=O)c2ccc(o2)-c2ccncc2)c1 Show InChI InChI=1S/C26H23F3N4O3/c27-26(28,29)19-3-4-22(33-13-11-32(12-14-33)17-20-2-1-15-35-20)21(16-19)31-25(34)24-6-5-23(36-24)18-7-9-30-10-8-18/h1-10,15-16H,11-14,17H2,(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.370	n/a	n/a	n/a	n/a	n/a	n/a
Exonate Limited US Patent					Assay Description Screening of a series of molecules identified compounds (Compounds 5, 8, 16 to 18 and 43 of Table 3) that had improved potency against SRPK1 against ...				US Patent US10696661 (2020) BindingDB Entry DOI: 10.7270/Q23B635R
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM448683 (N-(2-(4-(thiazol-5-ylmethyl)piperazin-1-yl)-5- (tr...) Show SMILES FC(F)(F)c1ccc(N2CCN(Cc3cncs3)CC2)c(NC(=O)c2ccccn2)c1 Show InChI InChI=1S/C21H20F3N5OS/c22-21(23,24)15-4-5-19(18(11-15)27-20(30)17-3-1-2-6-26-17)29-9-7-28(8-10-29)13-16-12-25-14-31-16/h1-6,11-12,14H,7-10,13H2,(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Exonate Limited US Patent					Assay Description Screening of a series of molecules identified compounds (Compounds 5, 8, 16 to 18 and 43 of Table 3) that had improved potency against SRPK1 against ...				US Patent US10696661 (2020) BindingDB Entry DOI: 10.7270/Q23B635R
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM448727 (5-(tetrahydro-2H-pyran-4-yl)-N-(2-(4-(thiazol-5- y...) Show SMILES FC(F)(F)c1ccc(N2CCN(Cc3cncs3)CC2)c(NC(=O)c2ccc(o2)C2CCOCC2)c1 Show InChI InChI=1S/C25H27F3N4O3S/c26-25(27,28)18-1-2-21(32-9-7-31(8-10-32)15-19-14-29-16-36-19)20(13-18)30-24(33)23-4-3-22(35-23)17-5-11-34-12-6-17/h1-4,13-14,16-17H,5-12,15H2,(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Exonate Limited US Patent					Assay Description Screening of a series of molecules identified compounds (Compounds 5, 8, 16 to 18 and 43 of Table 3) that had improved potency against SRPK1 against ...				US Patent US10696661 (2020) BindingDB Entry DOI: 10.7270/Q23B635R
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM448695 (N-(2-(4-(furan-3-ylmethyl)piperazin-1-yl)-5- (trif...) Show SMILES FC(F)(F)c1ccc(N2CCN(Cc3ccoc3)CC2)c(NC(=O)c2ccc(o2)C2CCOCC2)c1 Show InChI InChI=1S/C26H28F3N3O4/c27-26(28,29)20-1-2-22(32-10-8-31(9-11-32)16-18-5-12-35-17-18)21(15-20)30-25(33)24-4-3-23(36-24)19-6-13-34-14-7-19/h1-5,12,15,17,19H,6-11,13-14,16H2,(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Exonate Limited US Patent					Assay Description Screening of a series of molecules identified compounds (Compounds 5, 8, 16 to 18 and 43 of Table 3) that had improved potency against SRPK1 against ...				US Patent US10696661 (2020) BindingDB Entry DOI: 10.7270/Q23B635R
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM448663 (N-(2-(4-(oxazol-5-ylmethyl)piperazin-1-yl)-5- (tri...) Show SMILES FC(F)(F)c1ccc(N2CCN(Cc3cnco3)CC2)c(NC(=O)c2ccc(o2)-c2ccncc2)c1 Show InChI InChI=1S/C25H22F3N5O3/c26-25(27,28)18-1-2-21(33-11-9-32(10-12-33)15-19-14-30-16-35-19)20(13-18)31-24(34)23-4-3-22(36-23)17-5-7-29-8-6-17/h1-8,13-14,16H,9-12,15H2,(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.760	n/a	n/a	n/a	n/a	n/a	n/a
Exonate Limited US Patent					Assay Description Screening of a series of molecules identified compounds (Compounds 5, 8, 16 to 18 and 43 of Table 3) that had improved potency against SRPK1 against ...				US Patent US10696661 (2020) BindingDB Entry DOI: 10.7270/Q23B635R
					More data for this Ligand-Target Pair
Cathepsin K (Canis familiaris)	BDBM50395256 (CHEMBL2163587) Show SMILES COc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H28N4O3/c1-31-20-8-4-7-15-18-13-28(12-9-19(18)26-21(15)20)23(30)17-6-3-2-5-16(17)22(29)27-24(14-25)10-11-24/h4,7-8,16-17,26H,2-3,5-6,9-13H2,1H3,(H,27,29)/t16-,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of dog recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395254 (CHEMBL2164682) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3ccccc3c2C1 |r| Show InChI InChI=1S/C23H26N4O2/c24-14-23(10-11-23)26-21(28)16-6-1-2-7-17(16)22(29)27-12-9-20-18(13-27)15-5-3-4-8-19(15)25-20/h3-5,8,16-17,25H,1-2,6-7,9-13H2,(H,26,28)/t16-,17-/m1/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395235 (CHEMBL2164670) Show SMILES COc1ccccc1C(NC(=O)[C@@H]1CCCC[C@H]1C(=O)N1CCN(Cc2ccc(F)cc2)CC1)C#N |r| Show InChI InChI=1S/C28H33FN4O3/c1-36-26-9-5-4-8-24(26)25(18-30)31-27(34)22-6-2-3-7-23(22)28(35)33-16-14-32(15-17-33)19-20-10-12-21(29)13-11-20/h4-5,8-13,22-23,25H,2-3,6-7,14-17,19H2,1H3,(H,31,34)/t22-,23-,25?/m1/s1	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395236 (CHEMBL2163360) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3ncccc3c2C1 |r| Show InChI InChI=1S/C22H25N5O2/c23-13-22(8-9-22)26-20(28)15-4-1-2-5-16(15)21(29)27-11-7-18-17(12-27)14-6-3-10-24-19(14)25-18/h3,6,10,15-16H,1-2,4-5,7-9,11-12H2,(H,24,25)(H,26,28)/t15-,16-/m1/s1	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM448673 (N-(5-chloro-2-(4-(furan-2-ylmethyl)piperazin-1-yl)...) Show SMILES Clc1ccc(N2CCN(Cc3ccco3)CC2)c(NC(=O)c2ccc(o2)-c2ccncc2)c1 Show InChI InChI=1S/C25H23ClN4O3/c26-19-3-4-22(30-13-11-29(12-14-30)17-20-2-1-15-32-20)21(16-19)28-25(31)24-6-5-23(33-24)18-7-9-27-10-8-18/h1-10,15-16H,11-14,17H2,(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Exonate Limited US Patent					Assay Description Screening of a series of molecules identified compounds (Compounds 5, 8, 16 to 18 and 43 of Table 3) that had improved potency against SRPK1 against ...				US Patent US10696661 (2020) BindingDB Entry DOI: 10.7270/Q23B635R
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50414644 (CHEMBL555122) Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnc(CCN)o1)C(=O)NCC#N)C(C)(C)C Show InChI InChI=1S/C24H30N8O3/c1-24(2,3)19-14-18(32(4)31-19)22(34)28-17(21(33)27-11-10-26)13-15-6-5-7-16(12-15)23-30-29-20(35-23)8-9-25/h5-7,12,14,17H,8-9,11,13,25H2,1-4H3,(H,27,33)(H,28,34)	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	1.26	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin L assessed as inhibition of fluorogenic substrate cleavage				Bioorg Med Chem Lett 19: 4622-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.090 BindingDB Entry DOI: 10.7270/Q2N017S3
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM448662 (N-(2-(4-(oxazol-4-ylmethyl)piperazin-1-yl)-5- (tri...) Show SMILES FC(F)(F)c1ccc(N2CCN(Cc3cocn3)CC2)c(NC(=O)c2ccc(o2)-c2ccncc2)c1 Show InChI InChI=1S/C25H22F3N5O3/c26-25(27,28)18-1-2-21(33-11-9-32(10-12-33)14-19-15-35-16-30-19)20(13-18)31-24(34)23-4-3-22(36-23)17-5-7-29-8-6-17/h1-8,13,15-16H,9-12,14H2,(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Exonate Limited US Patent					Assay Description Screening of a series of molecules identified compounds (Compounds 5, 8, 16 to 18 and 43 of Table 3) that had improved potency against SRPK1 against ...				US Patent US10696661 (2020) BindingDB Entry DOI: 10.7270/Q23B635R
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM448675 (N-(2-(4-(furan-2-ylmethyl)piperazin-1-yl)-5- (trif...) Show SMILES FC(F)(F)c1ccc(N2CCN(Cc3ccco3)CC2)c(NC(=O)c2ccccn2)c1 Show InChI InChI=1S/C22H21F3N4O2/c23-22(24,25)16-6-7-20(19(14-16)27-21(30)18-5-1-2-8-26-18)29-11-9-28(10-12-29)15-17-4-3-13-31-17/h1-8,13-14H,9-12,15H2,(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Exonate Limited US Patent					Assay Description Screening of a series of molecules identified compounds (Compounds 5, 8, 16 to 18 and 43 of Table 3) that had improved potency against SRPK1 against ...				US Patent US10696661 (2020) BindingDB Entry DOI: 10.7270/Q23B635R
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM448664 (5-(tetrahydro-2H-pyran-4-yl)-N-(2-(4-(thiazol-4- y...) Show SMILES FC(F)(F)c1ccc(N2CCN(Cc3cscn3)CC2)c(NC(=O)c2ccc(o2)C2CCOCC2)c1 Show InChI InChI=1S/C25H27F3N4O3S/c26-25(27,28)18-1-2-21(32-9-7-31(8-10-32)14-19-15-36-16-29-19)20(13-18)30-24(33)23-4-3-22(35-23)17-5-11-34-12-6-17/h1-4,13,15-17H,5-12,14H2,(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Exonate Limited US Patent					Assay Description Screening of a series of molecules identified compounds (Compounds 5, 8, 16 to 18 and 43 of Table 3) that had improved potency against SRPK1 against ...				US Patent US10696661 (2020) BindingDB Entry DOI: 10.7270/Q23B635R
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM448697 (N-(2-(4-(furan-3-ylmethyl)piperazin-1-yl)-5- (trif...) Show SMILES Cc1ccc(o1)C(=O)Nc1cc(ccc1N1CCN(Cc2ccoc2)CC1)C(F)(F)F Show InChI InChI=1S/C22H22F3N3O3/c1-15-2-5-20(31-15)21(29)26-18-12-17(22(23,24)25)3-4-19(18)28-9-7-27(8-10-28)13-16-6-11-30-14-16/h2-6,11-12,14H,7-10,13H2,1H3,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Exonate Limited US Patent					Assay Description Screening of a series of molecules identified compounds (Compounds 5, 8, 16 to 18 and 43 of Table 3) that had improved potency against SRPK1 against ...				US Patent US10696661 (2020) BindingDB Entry DOI: 10.7270/Q23B635R
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM448726 (N-(2-(4-(isoxazol-5-ylmethyl)piperazin-1-yl)-5-(tr...) Show SMILES FC(F)(F)c1ccc(N2CCN(Cc3ccno3)CC2)c(NC(=O)c2ccc(o2)-c2ccncc2)c1 Show InChI InChI=1S/C25H22F3N5O3/c26-25(27,28)18-1-2-21(33-13-11-32(12-14-33)16-19-7-10-30-36-19)20(15-18)31-24(34)23-4-3-22(35-23)17-5-8-29-9-6-17/h1-10,15H,11-14,16H2,(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Exonate Limited US Patent					Assay Description Screening of a series of molecules identified compounds (Compounds 5, 8, 16 to 18 and 43 of Table 3) that had improved potency against SRPK1 against ...				US Patent US10696661 (2020) BindingDB Entry DOI: 10.7270/Q23B635R
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM50414641 (CHEMBL554065) Show SMILES COCc1nnc(o1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1 Show InChI InChI=1S/C24H29N7O4/c1-24(2,3)19-13-18(31(4)30-19)22(33)27-17(21(32)26-10-9-25)12-15-7-6-8-16(11-15)23-29-28-20(35-23)14-34-5/h6-8,11,13,17H,10,12,14H2,1-5H3,(H,26,32)(H,27,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin L2 assessed as inhibition of fluorogenic substrate cleavage				Bioorg Med Chem Lett 19: 4622-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.090 BindingDB Entry DOI: 10.7270/Q2N017S3
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50414643 (CHEMBL557455) Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nnc(CN)o1)C(=O)NCC#N)C(C)(C)C Show InChI InChI=1S/C23H28N8O3/c1-23(2,3)18-12-17(31(4)30-18)21(33)27-16(20(32)26-9-8-24)11-14-6-5-7-15(10-14)22-29-28-19(13-25)34-22/h5-7,10,12,16H,9,11,13,25H2,1-4H3,(H,26,32)(H,27,33)	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	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin L assessed as inhibition of fluorogenic substrate cleavage				Bioorg Med Chem Lett 19: 4622-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.090 BindingDB Entry DOI: 10.7270/Q2N017S3
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395238 (CHEMBL2163589) Show SMILES FC(F)(F)Oc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H25F3N4O3/c25-24(26,27)34-19-7-3-6-14-17-12-31(11-8-18(17)29-20(14)19)22(33)16-5-2-1-4-15(16)21(32)30-23(13-28)9-10-23/h3,6-7,15-16,29H,1-2,4-5,8-12H2,(H,30,32)/t15-,16-/m1/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395228 (CHEMBL2164674) Show SMILES O=C(NCC#N)[C@@H]1CCCC[C@H]1C(=O)N1CCc2ccccc2C1 |r| Show InChI InChI=1S/C19H23N3O2/c20-10-11-21-18(23)16-7-3-4-8-17(16)19(24)22-12-9-14-5-1-2-6-15(14)13-22/h1-2,5-6,16-17H,3-4,7-9,11-13H2,(H,21,23)/t16-,17-/m1/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50249413 (5-amino-4-(bicyclo[2.2.1]heptan-2-ylamino)-6-morph...) Show SMILES Nc1c(NC2CC3CCC2C3)nc(nc1N1CCOCC1)C#N |THB:3:4:10:8.7| Show InChI InChI=1S/C16H22N6O/c17-9-13-20-15(19-12-8-10-1-2-11(12)7-10)14(18)16(21-13)22-3-5-23-6-4-22/h10-12H,1-8,18H2,(H,19,20,21)	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	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin K (unknown origin)				Bioorg Med Chem Lett 19: 1658-61 (2009) Article DOI: 10.1016/j.bmcl.2009.01.110 BindingDB Entry DOI: 10.7270/Q2571BWR
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395241 (CHEMBL2163585) Show SMILES O=C(NC1(CC1)C#N)[C@@H]1CCCC[C@H]1C(=O)N1CCc2[nH]c3c(cccc3c2C1)C#N |r| Show InChI InChI=1S/C24H25N5O2/c25-12-15-4-3-7-16-19-13-29(11-8-20(19)27-21(15)16)23(31)18-6-2-1-5-17(18)22(30)28-24(14-26)9-10-24/h3-4,7,17-18,27H,1-2,5-6,8-11,13H2,(H,28,30)/t17-,18-/m1/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395244 (CHEMBL2163582) Show SMILES Clc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H25ClN4O2/c24-18-7-3-6-14-17-12-28(11-8-19(17)26-20(14)18)22(30)16-5-2-1-4-15(16)21(29)27-23(13-25)9-10-23/h3,6-7,15-16,26H,1-2,4-5,8-12H2,(H,27,29)/t15-,16-/m1/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50414636 (CHEMBL559880) Show SMILES O=C(NCC#N)C(Cc1cccc(c1)-c1nncs1)NC(=O)c1ccccc1 Show InChI InChI=1S/C20H17N5O2S/c21-9-10-22-19(27)17(24-18(26)15-6-2-1-3-7-15)12-14-5-4-8-16(11-14)20-25-23-13-28-20/h1-8,11,13,17H,10,12H2,(H,22,27)(H,24,26)	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	2.51	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin S assessed as inhibition of fluorogenic substrate cleavage				Bioorg Med Chem Lett 19: 4622-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.090 BindingDB Entry DOI: 10.7270/Q2N017S3
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM448715 (N-(2-(4-(isoxazol-5-ylmethyl)piperazin-1-yl)-5-(tr...) Show SMILES FC(F)(F)c1ccc(N2CCN(Cc3ccno3)CC2)c(NC(=O)c2ccccn2)c1 Show InChI InChI=1S/C21H20F3N5O2/c22-21(23,24)15-4-5-19(18(13-15)27-20(30)17-3-1-2-7-25-17)29-11-9-28(10-12-29)14-16-6-8-26-31-16/h1-8,13H,9-12,14H2,(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Exonate Limited US Patent					Assay Description Screening of a series of molecules identified compounds (Compounds 5, 8, 16 to 18 and 43 of Table 3) that had improved potency against SRPK1 against ...				US Patent US10696661 (2020) BindingDB Entry DOI: 10.7270/Q23B635R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395243 (CHEMBL2163583) Show SMILES Cc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H28N4O2/c1-15-5-4-8-16-19-13-28(12-9-20(19)26-21(15)16)23(30)18-7-3-2-6-17(18)22(29)27-24(14-25)10-11-24/h4-5,8,17-18,26H,2-3,6-7,9-13H2,1H3,(H,27,29)/t17-,18-/m1/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397138 (CHEMBL2172003) Show SMILES COc1cc(ccc1C1CC1)N1CCN([C@H](C)C1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C27H36N4O3/c1-18-16-30(20-9-10-21(19-7-8-19)24(15-20)34-2)13-14-31(18)26(33)23-6-4-3-5-22(23)25(32)29-27(17-28)11-12-27/h9-10,15,18-19,22-23H,3-8,11-14,16H2,1-2H3,(H,29,32)/t18-,22-,23-/m1/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395251 (CHEMBL2164686) Show SMILES Cn1c2CCN(Cc2c2c(F)c(F)ccc12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H26F2N4O2/c1-29-18-8-11-30(12-16(18)20-19(29)7-6-17(25)21(20)26)23(32)15-5-3-2-4-14(15)22(31)28-24(13-27)9-10-24/h6-7,14-15H,2-5,8-12H2,1H3,(H,28,31)/t14-,15-/m1/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395250 (CHEMBL2164687) Show SMILES Clc1ccc2[nH]c3CCN(Cc3c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H25ClN4O2/c24-14-5-6-19-17(11-14)18-12-28(10-7-20(18)26-19)22(30)16-4-2-1-3-15(16)21(29)27-23(13-25)8-9-23/h5-6,11,15-16,26H,1-4,7-10,12H2,(H,27,29)/t15-,16-/m1/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395234 (CHEMBL2164669) Show SMILES Fc1ccc(cc1)N1CCN(CC1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC(C#N)c1ccccc1 |r| Show InChI InChI=1S/C26H29FN4O2/c27-20-10-12-21(13-11-20)30-14-16-31(17-15-30)26(33)23-9-5-4-8-22(23)25(32)29-24(18-28)19-6-2-1-3-7-19/h1-3,6-7,10-13,22-24H,4-5,8-9,14-17H2,(H,29,32)/t22-,23-,24?/m1/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin L2 (Homo sapiens (Human))	BDBM50414640 (CHEMBL562844) Show SMILES Cc1nnc(s1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1 Show InChI InChI=1S/C23H27N7O2S/c1-14-27-28-22(33-14)16-8-6-7-15(11-16)12-17(20(31)25-10-9-24)26-21(32)18-13-19(23(2,3)4)29-30(18)5/h6-8,11,13,17H,10,12H2,1-5H3,(H,25,31)(H,26,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin L2 assessed as inhibition of fluorogenic substrate cleavage				Bioorg Med Chem Lett 19: 4622-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.090 BindingDB Entry DOI: 10.7270/Q2N017S3
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM448647 (N-(2-(4-((1H-pyrazol-3-yl)methyl)piperazin-1-yl)-5...) Show SMILES FC(F)(F)c1ccc(N2CCN(Cc3cc[nH]n3)CC2)c(NC(=O)c2ccc(o2)C2CCOCC2)c1 Show InChI InChI=1S/C25H28F3N5O3/c26-25(27,28)18-1-2-21(33-11-9-32(10-12-33)16-19-5-8-29-31-19)20(15-18)30-24(34)23-4-3-22(36-23)17-6-13-35-14-7-17/h1-5,8,15,17H,6-7,9-14,16H2,(H,29,31)(H,30,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Exonate Limited US Patent					Assay Description Screening of a series of molecules identified compounds (Compounds 5, 8, 16 to 18 and 43 of Table 3) that had improved potency against SRPK1 against ...				US Patent US10696661 (2020) BindingDB Entry DOI: 10.7270/Q23B635R
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM448696 (N-(2-(4-((5-methylfuran-2-yl)methyl)piperazin-1-yl...) Show SMILES Cc1ccc(CN2CCN(CC2)c2ccc(cc2NC(=O)c2ccc(o2)C2CCOCC2)C(F)(F)F)o1 Show InChI InChI=1S/C27H30F3N3O4/c1-18-2-4-21(36-18)17-32-10-12-33(13-11-32)23-5-3-20(27(28,29)30)16-22(23)31-26(34)25-7-6-24(37-25)19-8-14-35-15-9-19/h2-7,16,19H,8-15,17H2,1H3,(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Exonate Limited US Patent					Assay Description Screening of a series of molecules identified compounds (Compounds 5, 8, 16 to 18 and 43 of Table 3) that had improved potency against SRPK1 against ...				US Patent US10696661 (2020) BindingDB Entry DOI: 10.7270/Q23B635R
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50414641 (CHEMBL554065) Show SMILES COCc1nnc(o1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1 Show InChI InChI=1S/C24H29N7O4/c1-24(2,3)19-13-18(31(4)30-19)22(33)27-17(21(32)26-10-9-25)12-15-7-6-8-16(11-15)23-29-28-20(35-23)14-34-5/h6-8,11,13,17H,10,12,14H2,1-5H3,(H,26,32)(H,27,33)	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	3.98	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin L assessed as inhibition of fluorogenic substrate cleavage				Bioorg Med Chem Lett 19: 4622-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.090 BindingDB Entry DOI: 10.7270/Q2N017S3
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395242 (CHEMBL2163584) Show SMILES Brc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H25BrN4O2/c24-18-7-3-6-14-17-12-28(11-8-19(17)26-20(14)18)22(30)16-5-2-1-4-15(16)21(29)27-23(13-25)9-10-23/h3,6-7,15-16,26H,1-2,4-5,8-12H2,(H,27,29)/t15-,16-/m1/s1	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395239 (CHEMBL2163588) Show SMILES CSc1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H28N4O2S/c1-31-20-8-4-7-15-18-13-28(12-9-19(18)26-21(15)20)23(30)17-6-3-2-5-16(17)22(29)27-24(14-25)10-11-24/h4,7-8,16-17,26H,2-3,5-6,9-13H2,1H3,(H,27,29)/t16-,17-/m1/s1	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
fMet-Leu-Phe receptor (Homo sapiens (Human))	BDBM50419562 (CHEMBL1934424) Show SMILES CO[C@H]1CC[C@H](CC1)n1nc(C)c(C(=O)N[C@@H](C)C(C)(C)C)c1NS(=O)(=O)c1ccc(C)cc1 |r,wU:5.8,16.17,2.1,(31.27,-8.16,;32.01,-6.81,;31.21,-5.49,;29.67,-5.52,;28.87,-4.21,;29.61,-2.86,;31.15,-2.82,;31.95,-4.13,;29.13,-1.41,;27.66,-.94,;27.66,.6,;26.41,1.51,;29.12,1.08,;29.59,2.55,;31.1,2.88,;28.56,3.69,;29.03,5.16,;27.99,6.3,;30.53,5.48,;31.57,4.34,;31,6.95,;32.01,5.9,;30.03,-.15,;31.57,-.15,;32.33,1.2,;30.99,1.97,;32.33,2.74,;33.88,1.2,;34.64,-.13,;36.18,-.13,;36.95,1.2,;38.49,1.2,;36.18,2.53,;34.64,2.52,)| Show InChI InChI=1S/C25H38N4O4S/c1-16-8-14-21(15-9-16)34(31,32)28-23-22(24(30)26-18(3)25(4,5)6)17(2)27-29(23)19-10-12-20(33-7)13-11-19/h8-9,14-15,18-20,28H,10-13H2,1-7H3,(H,26,30)/t18-,19-,20+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
AstraZeneca Curated by ChEMBL					Assay Description Antagonist activity at human recombinant FPR1 in expressed in HEK293 cells assessed as inhibition of FMLP-stimulated intracellular calcium mobilisati...				Bioorg Med Chem Lett 22: 532-6 (2011) Article DOI: 10.1016/j.bmcl.2011.10.090 BindingDB Entry DOI: 10.7270/Q27P90NM
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395253 (CHEMBL2164684) Show SMILES Fc1ccc2c3CN(CCc3[nH]c2c1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C23H25FN4O2/c24-14-5-6-15-18-12-28(10-7-19(18)26-20(15)11-14)22(30)17-4-2-1-3-16(17)21(29)27-23(13-25)8-9-23/h5-6,11,16-17,26H,1-4,7-10,12H2,(H,27,29)/t16-,17-/m1/s1	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397142 (CHEMBL2172005) Show SMILES COc1ccc(cc1OC)N1CCN([C@H](C)C1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C25H34N4O4/c1-17-15-28(18-8-9-21(32-2)22(14-18)33-3)12-13-29(17)24(31)20-7-5-4-6-19(20)23(30)27-25(16-26)10-11-25/h8-9,14,17,19-20H,4-7,10-13,15H2,1-3H3,(H,27,30)/t17-,19-,20-/m1/s1	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM448661 (N-(2-(4-(oxazol-2-ylmethyl)piperazin-1-yl)-5- (tri...) Show SMILES FC(F)(F)c1ccc(N2CCN(Cc3ncco3)CC2)c(NC(=O)c2ccc(o2)-c2ccncc2)c1 Show InChI InChI=1S/C25H22F3N5O3/c26-25(27,28)18-1-2-20(33-12-10-32(11-13-33)16-23-30-9-14-35-23)19(15-18)31-24(34)22-4-3-21(36-22)17-5-7-29-8-6-17/h1-9,14-15H,10-13,16H2,(H,31,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Exonate Limited US Patent					Assay Description Screening of a series of molecules identified compounds (Compounds 5, 8, 16 to 18 and 43 of Table 3) that had improved potency against SRPK1 against ...				US Patent US10696661 (2020) BindingDB Entry DOI: 10.7270/Q23B635R
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19855 (Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...) Show SMILES CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N Show InChI InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair				3D Structure (docked)
Glycogen phosphorylase, liver form (Homo sapiens (Human))	BDBM50194411 ((S)-2,3-dichloro-N-(1-(dimethylamino)-1-oxo-3-phen...) Show SMILES CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2sc(Cl)c(Cl)c2[nH]1 Show InChI InChI=1S/C18H17Cl2N3O2S/c1-23(2)18(25)12(8-10-6-4-3-5-7-10)22-17(24)11-9-13-15(21-11)14(19)16(20)26-13/h3-7,9,12,21H,8H2,1-2H3,(H,22,24)/t12-/m0/s1	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	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human liver GPa by multienzyme coupled assay				Bioorg Med Chem Lett 16: 5567-71 (2006) Article DOI: 10.1016/j.bmcl.2006.08.047 BindingDB Entry DOI: 10.7270/Q2KW5FP3
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50397137 (CHEMBL2172002) Show SMILES COc1ccc(nc1OC)N1CCN([C@H](C)C1)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H33N5O4/c1-16-14-28(20-9-8-19(32-2)22(26-20)33-3)12-13-29(16)23(31)18-7-5-4-6-17(18)21(30)27-24(15-25)10-11-24/h8-9,16-18H,4-7,10-14H2,1-3H3,(H,27,30)/t16-,17-,18-/m1/s1	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	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant cathepsin-k using Z-Phe-Arg-AMC as substrate preincubated for 15 mins measured after 1 hr by QFRET assay				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM19855 (Balicatib | CHEMBL371064 | N-[1-(cyanomethylcarbam...) Show SMILES CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N Show InChI InChI=1S/C23H33N5O2/c1-2-14-27-15-17-28(18-16-27)20-8-6-19(7-9-20)21(29)26-23(10-4-3-5-11-23)22(30)25-13-12-24/h6-9H,2-5,10-11,13-18H2,1H3,(H,25,30)(H,26,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin-k				J Med Chem 55: 8827-37 (2012) Article DOI: 10.1021/jm301119s BindingDB Entry DOI: 10.7270/Q2HX1DS7
					More data for this Ligand-Target Pair				3D Structure (docked)
Endothelin-1 receptor (RAT)	BDBM50085853 (CHEMBL173251 | Sodium; [2-cyano-5-(pyridin-4-ylmet...) Show SMILES Cc1ccccc1C(Oc1cc(OCc2ccncc2)ccc1C#N)C([O-])=O Show InChI InChI=1S/C22H18N2O4/c1-15-4-2-3-5-19(15)21(22(25)26)28-20-12-18(7-6-17(20)13-23)27-14-16-8-10-24-11-9-16/h2-12,21H,14H2,1H3,(H,25,26)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description In vitro ability to antagonise the binding of [125I]-ET-1 to the rat aortic A10 cell membrane endothelin A receptor.				J Med Chem 43: 900-10 (2000) BindingDB Entry DOI: 10.7270/Q2154G73
					More data for this Ligand-Target Pair
Cathepsin K (Homo sapiens (Human))	BDBM50395240 (CHEMBL2163586) Show SMILES FC(F)(F)c1cccc2c3CN(CCc3[nH]c12)C(=O)[C@@H]1CCCC[C@H]1C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C24H25F3N4O2/c25-24(26,27)18-7-3-6-14-17-12-31(11-8-19(17)29-20(14)18)22(33)16-5-2-1-4-15(16)21(32)30-23(13-28)9-10-23/h3,6-7,15-16,29H,1-2,4-5,8-12H2,(H,30,32)/t15-,16-/m1/s1	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	5	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CatK assessed as suppression of enzyme-mediated Z-Phe-Arg-AMC cleavage incubated for 1 hrs by QFRET assay				J Med Chem 55: 6363-74 (2012) Article DOI: 10.1021/jm3007257 BindingDB Entry DOI: 10.7270/Q2833T5F
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50414638 (CHEMBL549378) Show SMILES Cn1nc(cc1C(=O)NC(Cc1cccc(c1)-c1nncs1)C(=O)NCC#N)C(C)(C)C Show InChI InChI=1S/C22H25N7O2S/c1-22(2,3)18-12-17(29(4)28-18)20(31)26-16(19(30)24-9-8-23)11-14-6-5-7-15(10-14)21-27-25-13-32-21/h5-7,10,12-13,16H,9,11H2,1-4H3,(H,24,30)(H,26,31)	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	5.01	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin L assessed as inhibition of fluorogenic substrate cleavage				Bioorg Med Chem Lett 19: 4622-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.090 BindingDB Entry DOI: 10.7270/Q2N017S3
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50414639 (CHEMBL550872) Show SMILES Cc1nnc(o1)-c1cccc(CC(NC(=O)c2cc(nn2C)C(C)(C)C)C(=O)NCC#N)c1 Show InChI InChI=1S/C23H27N7O3/c1-14-27-28-22(33-14)16-8-6-7-15(11-16)12-17(20(31)25-10-9-24)26-21(32)18-13-19(23(2,3)4)29-30(18)5/h6-8,11,13,17H,10,12H2,1-5H3,(H,25,31)(H,26,32)	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	5.01	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cathepsin L assessed as inhibition of fluorogenic substrate cleavage				Bioorg Med Chem Lett 19: 4622-5 (2009) Article DOI: 10.1016/j.bmcl.2009.06.090 BindingDB Entry DOI: 10.7270/Q2N017S3
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM448729 (N-(2-(4-(furan-3-ylmethyl)piperazin-1-yl)-5- (trif...) Show SMILES FC(F)(F)c1ccc(N2CCN(Cc3ccoc3)CC2)c(NC(=O)c2ccccn2)c1 Show InChI InChI=1S/C22H21F3N4O2/c23-22(24,25)17-4-5-20(19(13-17)27-21(30)18-3-1-2-7-26-18)29-10-8-28(9-11-29)14-16-6-12-31-15-16/h1-7,12-13,15H,8-11,14H2,(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Exonate Limited US Patent					Assay Description Screening of a series of molecules identified compounds (Compounds 5, 8, 16 to 18 and 43 of Table 3) that had improved potency against SRPK1 against ...				US Patent US10696661 (2020) BindingDB Entry DOI: 10.7270/Q23B635R
					More data for this Ligand-Target Pair
SRSF protein kinase 1 (Homo sapiens (Human))	BDBM448717 (N-(2-(4-(isoxazol-5-ylmethyl)piperazin-1-yl)-5-(tr...) Show SMILES FC(F)(F)c1ccc(N2CCN(Cc3ccno3)CC2)c(NC(=O)c2ccc(o2)C2CCOCC2)c1 Show InChI InChI=1S/C25H27F3N4O4/c26-25(27,28)18-1-2-21(32-11-9-31(10-12-32)16-19-5-8-29-36-19)20(15-18)30-24(33)23-4-3-22(35-23)17-6-13-34-14-7-17/h1-5,8,15,17H,6-7,9-14,16H2,(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Exonate Limited US Patent					Assay Description Screening of a series of molecules identified compounds (Compounds 5, 8, 16 to 18 and 43 of Table 3) that had improved potency against SRPK1 against ...				US Patent US10696661 (2020) BindingDB Entry DOI: 10.7270/Q23B635R
					More data for this Ligand-Target Pair

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