Compile Data Set for Download or QSAR

Found 406 hits with Last Name = 'bohacek' and Initial = 'r'   

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
Thermolysin (Bacillus thermoproteolyticus)	BDBM50006111 ((ZFPLA) 2-[2-(2-Benzyloxycarbonylamino-3-phenyl-pr...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)N(C(=O)OCc1ccccc1)P(O)(O)=O)C(=O)N[C@@H](C)C(O)=O Show InChI InChI=1S/C26H34N3O9P/c1-17(2)14-21(23(30)27-18(3)25(32)33)28-24(31)22(15-19-10-6-4-7-11-19)29(39(35,36)37)26(34)38-16-20-12-8-5-9-13-20/h4-13,17-18,21-22H,14-16H2,1-3H3,(H,27,30)(H,28,31)(H,32,33)(H2,35,36,37)/t18-,21-,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory constant against thermolysin.				J Med Chem 35: 1671-84 (1992) BindingDB Entry DOI: 10.7270/Q2DR2W3S
					More data for this Ligand-Target Pair
Rhizopuspepsin (Rhizopus microsporus var. chinensis)	BDBM50070005 (((3R,6R,15R)-15-Hydroxymethyl-3-isopropyl-2,5-diox...) Show SMILES CC(C)[C@H]1NC(=O)[C@@H](CCCCCCCC[C@H](CO)NC1=O)NC(=O)OC(C)(C)C Show InChI InChI=1S/C22H41N3O5/c1-15(2)18-20(28)23-16(14-26)12-10-8-6-7-9-11-13-17(19(27)25-18)24-21(29)30-22(3,4)5/h15-18,26H,6-14H2,1-5H3,(H,23,28)(H,24,29)(H,25,27)/t16-,17-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Compound was evaluated for potency towards nicotinic acetylcholine receptor in rat P2 brain membranes using [3H]-nicotine as a radioligand				Bioorg Med Chem Lett 8: 357-60 (1999) BindingDB Entry DOI: 10.7270/Q2N58KH1
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50006110 ((ZGPLA) 2-[2-(2-Benzyloxycarbonylamino-acetylamino...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)OCc1ccccc1)P(O)(O)=O)C(O)=O Show InChI InChI=1S/C22H34N3O9P/c1-14(2)10-17(20(27)24-18(21(28)29)11-15(3)4)23-19(26)12-25(35(31,32)33)22(30)34-13-16-8-6-5-7-9-16/h5-9,14-15,17-18H,10-13H2,1-4H3,(H,23,26)(H,24,27)(H,28,29)(H2,31,32,33)/t17-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory constant against thermolysin.				J Med Chem 35: 1671-84 (1992) BindingDB Entry DOI: 10.7270/Q2DR2W3S
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50251742 ((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro...) Show SMILES CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r| Show InChI InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	28	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory constant against thermolysin.				J Med Chem 35: 1671-84 (1992) BindingDB Entry DOI: 10.7270/Q2DR2W3S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Diphosphomevalonate decarboxylase (Homo sapiens (Human))	BDBM50287714 ((3R)-3-(fluoromethyl)-3-hydroxy-5-{[(phosphonatoox...) Show SMILES O[C@](CF)(CCOP([O-])(=O)OP([O-])([O-])=O)CC([O-])=O Show InChI InChI=1S/C6H13FO10P2/c7-4-6(10,3-5(8)9)1-2-16-19(14,15)17-18(11,12)13/h10H,1-4H2,(H,8,9)(H,14,15)(H2,11,12,13)/p-4/t6-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase				Bioorg Med Chem Lett 6: 2091-2096 (1996) Article DOI: 10.1016/0960-894X(96)00374-5 BindingDB Entry DOI: 10.7270/Q2930TPB
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50006117 ((CLT) 2-{1-[1-Carboxy-2-(1H-indol-3-yl)-ethylcarba...) Show SMILES CC(C)C[C@H](NC(CCCc1ccccc1)C(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C28H35N3O5/c1-18(2)15-24(30-23(27(33)34)14-8-11-19-9-4-3-5-10-19)26(32)31-25(28(35)36)16-20-17-29-22-13-7-6-12-21(20)22/h3-7,9-10,12-13,17-18,23-25,29-30H,8,11,14-16H2,1-2H3,(H,31,32)(H,33,34)(H,35,36)/t23?,24-,25-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory constant against thermolysin.				J Med Chem 35: 1671-84 (1992) BindingDB Entry DOI: 10.7270/Q2DR2W3S
					More data for this Ligand-Target Pair
Rhizopuspepsin (Rhizopus microsporus var. chinensis)	BDBM50070006 (((Z)-(3R,6R,15R)-15-Hydroxymethyl-3-isopropyl-2,5-...) Show SMILES CC(C)[C@H]1NC(=O)[C@@H](CCC\C=C/CCC[C@H](CO)NC1=O)NC(=O)OC(C)(C)C |c:11| Show InChI InChI=1S/C22H39N3O5/c1-15(2)18-20(28)23-16(14-26)12-10-8-6-7-9-11-13-17(19(27)25-18)24-21(29)30-22(3,4)5/h6-7,15-18,26H,8-14H2,1-5H3,(H,23,28)(H,24,29)(H,25,27)/b7-6-/t16-,17-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	336	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Wisconsin-Madison Curated by ChEMBL					Assay Description Compound was evaluated for inhibitory activity towards nicotinic acetylcholine receptor in rat P2 brain membranes using [3H]-nicotine as a radioligan...				Bioorg Med Chem Lett 8: 357-60 (1999) BindingDB Entry DOI: 10.7270/Q2N58KH1
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50006114 ((HONH-BAGN) N-(1-{[(4-Nitro-phenylcarbamoyl)-methy...) Show SMILES C[C@H](NC(=O)CC(=O)Cc1ccccc1)C(=O)NCC(=O)Nc1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C21H22N4O6/c1-14(23-19(27)12-18(26)11-15-5-3-2-4-6-15)21(29)22-13-20(28)24-16-7-9-17(10-8-16)25(30)31/h2-10,14H,11-13H2,1H3,(H,22,29)(H,23,27)(H,24,28)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory constant against thermolysin.				J Med Chem 35: 1671-84 (1992) BindingDB Entry DOI: 10.7270/Q2DR2W3S
					More data for this Ligand-Target Pair
Diphosphomevalonate decarboxylase (Homo sapiens (Human))	BDBM50287713 ([methyl(2-{[(phosphonatooxy)phosphinato]oxy}ethyl)...) Show SMILES CN(CCOP([O-])(=O)OP([O-])([O-])=O)CC([O-])=O Show InChI InChI=1S/C5H13NO9P2/c1-6(4-5(7)8)2-3-14-17(12,13)15-16(9,10)11/h2-4H2,1H3,(H,7,8)(H,12,13)(H2,9,10,11)/p-4	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase				Bioorg Med Chem Lett 6: 2091-2096 (1996) Article DOI: 10.1016/0960-894X(96)00374-5 BindingDB Entry DOI: 10.7270/Q2930TPB
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50006113 ((BAG)2-Benzyl-N-[1-(carbamoylmethyl-carbamoyl)-eth...) Show SMILES C[C@H](NC(=O)C(CS)Cc1ccccc1)C(=O)NCC(N)=O Show InChI InChI=1S/C15H21N3O3S/c1-10(14(20)17-8-13(16)19)18-15(21)12(9-22)7-11-5-3-2-4-6-11/h2-6,10,12,22H,7-9H2,1H3,(H2,16,19)(H,17,20)(H,18,21)/t10-,12?/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory constant against thermolysin.				J Med Chem 35: 1671-84 (1992) BindingDB Entry DOI: 10.7270/Q2DR2W3S
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM21641 (2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...) Show SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1 Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory constant against thermolysin.				J Med Chem 35: 1671-84 (1992) BindingDB Entry DOI: 10.7270/Q2DR2W3S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thermolysin (Bacillus thermoproteolyticus)	BDBM50006115 ((R)-RETRO-THIORPHAN | (RETRO)N-(1-Mercaptomethyl-2...) Show SMILES OC(=O)CC(=O)N[C@@H](CS)Cc1ccccc1 Show InChI InChI=1S/C12H15NO3S/c14-11(7-12(15)16)13-10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,14)(H,15,16)/t10-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory constant against thermolysin.				J Med Chem 35: 1671-84 (1992) BindingDB Entry DOI: 10.7270/Q2DR2W3S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thermolysin (Bacillus thermoproteolyticus)	BDBM50006116 ((ZGP(O)LL)Cbz-Glyp-(O)-L-Leu-L-Leu | CHEMBL48051) Show SMILES CC(C)C[C@H](NOC(=O)CN(C(=O)OCc1ccccc1)P(O)(O)=O)C(=O)N[C@@H](CC(C)C)C(O)=O Show InChI InChI=1S/C22H34N3O10P/c1-14(2)10-17(20(27)23-18(21(28)29)11-15(3)4)24-35-19(26)12-25(36(31,32)33)22(30)34-13-16-8-6-5-7-9-16/h5-9,14-15,17-18,24H,10-13H2,1-4H3,(H,23,27)(H,28,29)(H2,31,32,33)/t17-,18-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory constant against thermolysin.				J Med Chem 35: 1671-84 (1992) BindingDB Entry DOI: 10.7270/Q2DR2W3S
					More data for this Ligand-Target Pair
Thermolysin (Bacillus thermoproteolyticus)	BDBM50006112 (((S)-1-Carbamoyl-3-methyl-butyl)-phosphoramidic ac...) Show SMILES CC(C)C[C@H](NP(O)(O)=O)C(N)=O Show InChI InChI=1S/C6H15N2O4P/c1-4(2)3-5(6(7)9)8-13(10,11)12/h4-5H,3H2,1-2H3,(H2,7,9)(H3,8,10,11,12)/t5-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB PubMed	2.13E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory constant against thermolysin.				J Med Chem 35: 1671-84 (1992) BindingDB Entry DOI: 10.7270/Q2DR2W3S
					More data for this Ligand-Target Pair				3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50132351 (({4-[6-(2,6-Dichloro-phenyl)-8-(3-dimethylamino-pr...) Show SMILES CN(C)CCCn1c2nc(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(3.9,-7.22,;3.9,-5.68,;2.57,-4.91,;5.23,-4.91,;5.23,-3.37,;6.56,-2.59,;6.56,-1.05,;5.21,-.28,;3.88,-1.05,;2.55,-.29,;1.22,-1.06,;-.11,-.29,;-.11,1.25,;-1.44,2.01,;-2.78,1.23,;-2.77,-.31,;-1.44,-1.07,;-4.12,2,;-4.89,.67,;-3.35,3.34,;-5.45,2.77,;-5.45,4.31,;-6.99,4.32,;-5.86,5.8,;-4.12,5.09,;2.55,1.26,;3.88,2.03,;5.21,1.26,;6.54,2.03,;7.89,1.25,;9.22,2.02,;9.22,3.57,;7.89,4.33,;10.55,4.36,;11.88,3.57,;11.88,2.02,;10.55,1.25,;10.55,-.29,;7.89,-.28,;9.22,-1.05,)| Show InChI InChI=1S/C25H27Cl2N5O6P2/c1-31(2)11-4-12-32-23-16(13-19(24(32)33)22-20(26)5-3-6-21(22)27)14-28-25(30-23)29-17-7-9-18(10-8-17)39(34,35)15-40(36,37)38/h3,5-10,13-14H,4,11-12,15H2,1-2H3,(H,34,35)(H,28,29,30)(H2,36,37,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Src protein tryrosine kinase				Bioorg Med Chem Lett 13: 3071-4 (2003) BindingDB Entry DOI: 10.7270/Q21J995T
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50314074 (2,6,9-Trisubstitute purine, 6 (AP23464) | 3-(2-(2-...) Show SMILES CP(C)(=O)c1ccc(Nc2nc(nc3n(CCc4cccc(O)c4)cnc23)C2CCCC2)cc1 Show InChI InChI=1S/C26H30N5O2P/c1-34(2,33)22-12-10-20(11-13-22)28-25-23-26(30-24(29-25)19-7-3-4-8-19)31(17-27-23)15-14-18-6-5-9-21(32)16-18/h5-6,9-13,16-17,19,32H,3-4,7-8,14-15H2,1-2H3,(H,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	7.4	4
ARIAD Pharmaceuticals					Assay Description Inhibition of human Src kinase activity by ARIAD compounds were measured in a homogeneous time-resolved fluorescence resonance energy transfer (TR-FR...				Chem Biol Drug Des 67: 46-57 (2006) Article DOI: 10.1111/j.1747-0285.2005.00316.x BindingDB Entry DOI: 10.7270/Q2M61HRQ
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042828 (4-Hydroxy-1-(9-mercaptomethyl-10-oxo-azecane-2-car...) Show SMILES O[C@@H]1C[C@H](N(C1)C(=O)C1CCCCCCC(CS)C(=O)N1)C(O)=O Show InChI InChI=1S/C16H26N2O5S/c19-11-7-13(16(22)23)18(8-11)15(21)12-6-4-2-1-3-5-10(9-24)14(20)17-12/h10-13,19,24H,1-9H2,(H,17,20)(H,22,23)/t10?,11-,12?,13+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50056252 ((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...) Show SMILES OC(=O)[C@@H]1CCCCc2ccccc2C[C@H](CS)C(=O)N1 Show InChI InChI=1S/C16H21NO3S/c18-15-13(10-21)9-12-7-2-1-5-11(12)6-3-4-8-14(17-15)16(19)20/h1-2,5,7,13-14,21H,3-4,6,8-10H2,(H,17,18)(H,19,20)/t13-,14+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit neutral endopeptidase (NEP)				J Med Chem 40: 506-14 (1997) Article DOI: 10.1021/jm960583g BindingDB Entry DOI: 10.7270/Q2TM797S
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50056252 ((6S,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...) Show SMILES OC(=O)[C@@H]1CCCCc2ccccc2C[C@H](CS)C(=O)N1 Show InChI InChI=1S/C16H21NO3S/c18-15-13(10-21)9-12-7-2-1-5-11(12)6-3-4-8-14(17-15)16(19)20/h1-2,5,7,13-14,21H,3-4,6,8-10H2,(H,17,18)(H,19,20)/t13-,14+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				J Med Chem 40: 495-505 (1997) Article DOI: 10.1021/jm960582o BindingDB Entry DOI: 10.7270/Q2ZC81Z3
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50107639 (3-{2-[2-(4-Chloro-2-fluoro-benzoylamino)-3-m-tolyl...) Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccc(Cl)cc2F)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1 Show InChI InChI=1S/C28H25ClFN3O5/c1-17-4-2-5-18(10-17)12-25(33-26(34)23-9-8-21(29)13-24(23)30)27(35)32-22(14-31)16-38-15-19-6-3-7-20(11-19)28(36)37/h2-11,13,22,25H,12,15-16H2,1H3,(H,32,35)(H,33,34)(H,36,37)/t22-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.				J Med Chem 44: 4524-34 (2001) BindingDB Entry DOI: 10.7270/Q2GQ6X2J
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042835 (1-(9-Mercaptomethyl-10-oxo-azecane-2-carbonyl)-pyr...) Show SMILES OC(=O)[C@@H]1CCCN1C(=O)C1CCCCCCC(CS)C(=O)N1 Show InChI InChI=1S/C16H26N2O4S/c19-14-11(10-23)6-3-1-2-4-7-12(17-14)15(20)18-9-5-8-13(18)16(21)22/h11-13,23H,1-10H2,(H,17,19)(H,21,22)/t11?,12?,13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50132348 (({4-[6-(2,6-Dichloro-phenyl)-8-methyl-7-oxo-7,8-di...) Show SMILES Cn1c2nc(Nc3ccc(cc3)P(O)(=O)CP(O)(O)=O)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(3.94,-2.74,;3.93,-1.2,;2.6,-.43,;1.27,-1.2,;-.06,-.43,;-1.39,-1.21,;-2.73,-.45,;-2.73,1.1,;-4.06,1.86,;-5.41,1.09,;-5.38,-.47,;-4.05,-1.22,;-6.74,1.86,;-7.53,.53,;-5.97,3.19,;-8.09,2.61,;-9.4,1.82,;-10.19,3.17,;-10.91,1.42,;-9.02,.34,;-.07,1.11,;1.27,1.88,;2.6,1.11,;3.93,1.88,;5.26,1.11,;6.59,1.88,;6.59,3.42,;5.26,4.19,;7.92,4.19,;9.26,3.42,;9.26,1.88,;7.92,1.11,;7.92,-.43,;5.26,-.43,;6.6,-1.2,)| Show InChI InChI=1S/C21H18Cl2N4O6P2/c1-27-19-12(9-15(20(27)28)18-16(22)3-2-4-17(18)23)10-24-21(26-19)25-13-5-7-14(8-6-13)34(29,30)11-35(31,32)33/h2-10H,11H2,1H3,(H,29,30)(H,24,25,26)(H2,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Src protein tryrosine kinase				Bioorg Med Chem Lett 13: 3071-4 (2003) BindingDB Entry DOI: 10.7270/Q21J995T
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50056249 ((6S,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,...) Show SMILES OC(=O)[C@@H]1CCCCCc2ccccc2C[C@H](CS)C(=O)N1 Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-8-5-4-7-12(13)6-2-1-3-9-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15+/m1/s1	PDB 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
Novartis Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				J Med Chem 40: 495-505 (1997) Article DOI: 10.1021/jm960582o BindingDB Entry DOI: 10.7270/Q2ZC81Z3
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042827 (9-Mercaptomethyl-10-oxo-azecane-2-carboxylic acid ...) Show SMILES OC(=O)C1CCCCCCC(CS)C(=O)N1 Show InChI InChI=1S/C11H19NO3S/c13-10-8(7-16)5-3-1-2-4-6-9(12-10)11(14)15/h8-9,16H,1-7H2,(H,12,13)(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50056249 ((6S,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,...) Show SMILES OC(=O)[C@@H]1CCCCCc2ccccc2C[C@H](CS)C(=O)N1 Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-8-5-4-7-12(13)6-2-1-3-9-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15+/m1/s1	PDB 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
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit neutral endopeptidase (NEP)				J Med Chem 40: 506-14 (1997) Article DOI: 10.1021/jm960583g BindingDB Entry DOI: 10.7270/Q2TM797S
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042827 (9-Mercaptomethyl-10-oxo-azecane-2-carboxylic acid ...) Show SMILES OC(=O)C1CCCCCCC(CS)C(=O)N1 Show InChI InChI=1S/C11H19NO3S/c13-10-8(7-16)5-3-1-2-4-6-9(12-10)11(14)15/h8-9,16H,1-7H2,(H,12,13)(H,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50132322 (({2-[(2-{4-[4-Amino-5-(3-hydroxy-phenyl)-pyrrolo[2...) Show SMILES CN(CCOP(O)(=O)CP(O)(O)=O)CCc1ccc(cc1)-n1cc(-c2cccc(O)c2)c2c(N)ncnc12 Show InChI InChI=1S/C24H29N5O7P2/c1-28(11-12-36-38(34,35)16-37(31,32)33)10-9-17-5-7-19(8-6-17)29-14-21(18-3-2-4-20(30)13-18)22-23(25)26-15-27-24(22)29/h2-8,13-15,30H,9-12,16H2,1H3,(H,34,35)(H2,25,26,27)(H2,31,32,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description In vitro inhibition of Src protein tryrosine kinase using the Scintillation proximity kinase assay.				Bioorg Med Chem Lett 13: 3063-6 (2003) BindingDB Entry DOI: 10.7270/Q290235N
					More data for this Ligand-Target Pair
Angiotensin-converting enzyme (Homo sapiens (Human))	BDBM50056262 ((3S,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[10.3....) Show SMILES OC(=O)[C@@H]1CCCCCc2cccc(C[C@H](CS)C(=O)N1)c2 Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-7-4-6-12(9-13)5-2-1-3-8-15(18-16)17(20)21/h4,6-7,9,14-15,22H,1-3,5,8,10-11H2,(H,18,19)(H,20,21)/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	4	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit Angiotensin I converting enzyme (ACE)				J Med Chem 40: 506-14 (1997) Article DOI: 10.1021/jm960583g BindingDB Entry DOI: 10.7270/Q2TM797S
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50056251 ((6R,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,...) Show SMILES OC(=O)[C@@H]1CCCCCc2ccccc2C[C@@H](CS)C(=O)N1 Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-8-5-4-7-12(13)6-2-1-3-9-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15-/m0/s1	PDB 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 Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				J Med Chem 40: 495-505 (1997) Article DOI: 10.1021/jm960582o BindingDB Entry DOI: 10.7270/Q2ZC81Z3
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM27216 ((2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)...) Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1 Show InChI InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Cyclin-dependent kinase 2 (CDK2)				Bioorg Med Chem Lett 13: 3067-70 (2003) BindingDB Entry DOI: 10.7270/Q25B01V7
					More data for this Ligand-Target Pair				3D Structure (docked)
Neprilysin (Homo sapiens (Human))	BDBM50056259 ((3S,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[11.3....) Show SMILES OC(=O)[C@@H]1CCCCCCc2cccc(C[C@H](CS)C(=O)N1)c2 Show InChI InChI=1S/C18H25NO3S/c20-17-15(12-23)11-14-8-5-7-13(10-14)6-3-1-2-4-9-16(19-17)18(21)22/h5,7-8,10,15-16,23H,1-4,6,9,11-12H2,(H,19,20)(H,21,22)/t15-,16+/m1/s1	PDB 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
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit neutral endopeptidase (NEP)				J Med Chem 40: 506-14 (1997) Article DOI: 10.1021/jm960583g BindingDB Entry DOI: 10.7270/Q2TM797S
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50056251 ((6R,9S)-6-Mercaptomethyl-7-oxo-5,6,7,8,9,10,11,12,...) Show SMILES OC(=O)[C@@H]1CCCCCc2ccccc2C[C@@H](CS)C(=O)N1 Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-8-5-4-7-12(13)6-2-1-3-9-15(18-16)17(20)21/h4-5,7-8,14-15,22H,1-3,6,9-11H2,(H,18,19)(H,20,21)/t14-,15-/m0/s1	PDB 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
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit neutral endopeptidase (NEP)				J Med Chem 40: 506-14 (1997) Article DOI: 10.1021/jm960583g BindingDB Entry DOI: 10.7270/Q2TM797S
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM21641 (2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...) Show SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1 Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				J Med Chem 40: 495-505 (1997) Article DOI: 10.1021/jm960582o BindingDB Entry DOI: 10.7270/Q2ZC81Z3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin B (Homo sapiens (Human))	BDBM50107633 (3-[2-Cyano-2-(2-diphenylacetylamino-3-m-tolyl-prop...) Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1 Show InChI InChI=1S/C35H33N3O5/c1-24-10-8-11-25(18-24)20-31(38-34(40)32(27-13-4-2-5-14-27)28-15-6-3-7-16-28)33(39)37-30(21-36)23-43-22-26-12-9-17-29(19-26)35(41)42/h2-19,30-32H,20,22-23H2,1H3,(H,37,39)(H,38,40)(H,41,42)/t30-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.				J Med Chem 44: 4524-34 (2001) BindingDB Entry DOI: 10.7270/Q2GQ6X2J
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50107633 (3-[2-Cyano-2-(2-diphenylacetylamino-3-m-tolyl-prop...) Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1 Show InChI InChI=1S/C35H33N3O5/c1-24-10-8-11-25(18-24)20-31(38-34(40)32(27-13-4-2-5-14-27)28-15-6-3-7-16-28)33(39)37-30(21-36)23-43-22-26-12-9-17-29(19-26)35(41)42/h2-19,30-32H,20,22-23H2,1H3,(H,37,39)(H,38,40)(H,41,42)/t30-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.				J Med Chem 44: 4524-34 (2001) BindingDB Entry DOI: 10.7270/Q2GQ6X2J
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50107646 (3-[4-Cyano-4-(2-diphenylacetylamino-3-m-tolyl-prop...) Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](CC#Cc2cccc(c2)C(O)=O)C#N)c1 Show InChI InChI=1S/C36H31N3O4/c1-25-11-8-14-27(21-25)23-32(39-35(41)33(28-15-4-2-5-16-28)29-17-6-3-7-18-29)34(40)38-31(24-37)20-10-13-26-12-9-19-30(22-26)36(42)43/h2-9,11-12,14-19,21-22,31-33H,20,23H2,1H3,(H,38,40)(H,39,41)(H,42,43)/t31-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.				J Med Chem 44: 4524-34 (2001) BindingDB Entry DOI: 10.7270/Q2GQ6X2J
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50107623 (CHEMBL140756 | N-Cyanomethyl-2-diphenylacetylamino...) Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1 Show InChI InChI=1S/C26H25N3O2/c1-19-9-8-10-20(17-19)18-23(25(30)28-16-15-27)29-26(31)24(21-11-4-2-5-12-21)22-13-6-3-7-14-22/h2-14,17,23-24H,16,18H2,1H3,(H,28,30)(H,29,31)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Inhibitiory activity of the compound against recombinant human cathepsin L (cat L) expressed in baculovirus				J Med Chem 44: 4524-34 (2001) BindingDB Entry DOI: 10.7270/Q2GQ6X2J
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50107626 (3-{(R)-2-Cyano-2-[(S)-2-(2,4-difluoro-benzoylamino...) Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccc(F)cc2F)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1 Show InChI InChI=1S/C28H25F2N3O5/c1-17-4-2-5-18(10-17)12-25(33-26(34)23-9-8-21(29)13-24(23)30)27(35)32-22(14-31)16-38-15-19-6-3-7-20(11-19)28(36)37/h2-11,13,22,25H,12,15-16H2,1H3,(H,32,35)(H,33,34)(H,36,37)/t22-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.				J Med Chem 44: 4524-34 (2001) BindingDB Entry DOI: 10.7270/Q2GQ6X2J
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50056247 ((6R,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...) Show SMILES OC(=O)[C@@H]1CCCCc2ccccc2C[C@@H](CS)C(=O)N1 Show InChI InChI=1S/C16H21NO3S/c18-15-13(10-21)9-12-7-2-1-5-11(12)6-3-4-8-14(17-15)16(19)20/h1-2,5,7,13-14,21H,3-4,6,8-10H2,(H,17,18)(H,19,20)/t13-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Inhibition of neutral endopeptidase				J Med Chem 40: 495-505 (1997) Article DOI: 10.1021/jm960582o BindingDB Entry DOI: 10.7270/Q2ZC81Z3
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50056247 ((6R,9S)-6-Mercaptomethyl-7-oxo-6,7,8,9,10,11,12,13...) Show SMILES OC(=O)[C@@H]1CCCCc2ccccc2C[C@@H](CS)C(=O)N1 Show InChI InChI=1S/C16H21NO3S/c18-15-13(10-21)9-12-7-2-1-5-11(12)6-3-4-8-14(17-15)16(19)20/h1-2,5,7,13-14,21H,3-4,6,8-10H2,(H,17,18)(H,19,20)/t13-,14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit neutral endopeptidase (NEP)				J Med Chem 40: 506-14 (1997) Article DOI: 10.1021/jm960583g BindingDB Entry DOI: 10.7270/Q2TM797S
					More data for this Ligand-Target Pair
Neprilysin (Homo sapiens (Human))	BDBM50056262 ((3S,6S)-3-Mercaptomethyl-4-oxo-5-aza-bicyclo[10.3....) Show SMILES OC(=O)[C@@H]1CCCCCc2cccc(C[C@H](CS)C(=O)N1)c2 Show InChI InChI=1S/C17H23NO3S/c19-16-14(11-22)10-13-7-4-6-12(9-13)5-2-1-3-8-15(18-16)17(20)21/h4,6-7,9,14-15,22H,1-3,5,8,10-11H2,(H,18,19)(H,20,21)/t14-,15+/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibitory concentration required to inhibit neutral endopeptidase (NEP)				J Med Chem 40: 506-14 (1997) Article DOI: 10.1021/jm960583g BindingDB Entry DOI: 10.7270/Q2TM797S
					More data for this Ligand-Target Pair
Diphosphomevalonate decarboxylase (Homo sapiens (Human))	BDBM50287710 ((2S)-1-({[(phosphonatooxy)phosphinato]oxy}acetyl)p...) Show SMILES [O-]C(=O)[C@@H]1CCCN1C(=O)COP([O-])(=O)OP([O-])([O-])=O Show InChI InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)/p-4/t5-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase				Bioorg Med Chem Lett 6: 2091-2096 (1996) Article DOI: 10.1016/0960-894X(96)00374-5 BindingDB Entry DOI: 10.7270/Q2930TPB
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50107620 (3-[2-(2-Benzoylamino-3-m-tolyl-propionylamino)-2-c...) Show SMILES Cc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](COCc2cccc(c2)C(O)=O)C#N)c1 Show InChI InChI=1S/C28H27N3O5/c1-19-7-5-8-20(13-19)15-25(31-26(32)22-10-3-2-4-11-22)27(33)30-24(16-29)18-36-17-21-9-6-12-23(14-21)28(34)35/h2-14,24-25H,15,17-18H2,1H3,(H,30,33)(H,31,32)(H,34,35)/t24-,25+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.				J Med Chem 44: 4524-34 (2001) BindingDB Entry DOI: 10.7270/Q2GQ6X2J
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50107638 (CHEMBL336436 | N-(Benzyloxymethyl-cyano-methyl)-2-...) Show SMILES Cc1cccc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)N[C@@H](COCc2ccccc2)C#N)c1 Show InChI InChI=1S/C34H33N3O3/c1-25-12-11-15-27(20-25)21-31(33(38)36-30(22-35)24-40-23-26-13-5-2-6-14-26)37-34(39)32(28-16-7-3-8-17-28)29-18-9-4-10-19-29/h2-20,30-32H,21,23-24H2,1H3,(H,36,38)(H,37,39)/t30-,31+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	10.2	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.				J Med Chem 44: 4524-34 (2001) BindingDB Entry DOI: 10.7270/Q2GQ6X2J
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042832 (3-Hydroxy-2-[(9-mercaptomethyl-10-oxo-azecane-2-ca...) Show SMILES OC[C@@H](NC(=O)C1CCCCCCC(CS)C(=O)N1)C(O)=O Show InChI InChI=1S/C14H24N2O5S/c17-7-11(14(20)21)16-13(19)10-6-4-2-1-3-5-9(8-22)12(18)15-10/h9-11,17,22H,1-8H2,(H,15,18)(H,16,19)(H,20,21)/t9?,10?,11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM50107650 (CHEMBL138661 | N-Cyanomethyl-3-(3,5-dimethyl-pheny...) Show SMILES Cc1cc(C)cc(C[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C(=O)NCC#N)c1 Show InChI InChI=1S/C27H27N3O2/c1-19-15-20(2)17-21(16-19)18-24(26(31)29-14-13-28)30-27(32)25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,15-17,24-25H,14,18H2,1-2H3,(H,29,31)(H,30,32)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	11.9	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Inhibitiory activity against recombinant human cathepsin B (cat B) expressed in baculovirus.				J Med Chem 44: 4524-34 (2001) BindingDB Entry DOI: 10.7270/Q2GQ6X2J
					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50042831 (6-Amino-2-[(9-mercaptomethyl-10-oxo-azecane-2-carb...) Show SMILES NCCCC[C@@H](NC(=O)C1CCCCCCC(CS)C(=O)N1)C(O)=O Show InChI InChI=1S/C17H31N3O4S/c18-10-6-5-9-14(17(23)24)20-16(22)13-8-4-2-1-3-7-12(11-25)15(21)19-13/h12-14,25H,1-11,18H2,(H,19,21)(H,20,22)(H,23,24)/t12?,13?,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of NEP 24.11 from rat kidney				J Med Chem 36: 3821-8 (1994) BindingDB Entry DOI: 10.7270/Q2ZS2X5D
					More data for this Ligand-Target Pair
Diphosphomevalonate decarboxylase (Homo sapiens (Human))	BDBM50287715 ((2R)-1-({[(phosphonatooxy)phosphinato]oxy}acetyl)p...) Show SMILES [O-]C(=O)[C@H]1CCCN1C(=O)COP([O-])(=O)OP([O-])([O-])=O Show InChI InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)/p-4/t5-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against Mevalonate 5-pyrophosphate decarboxylase				Bioorg Med Chem Lett 6: 2091-2096 (1996) Article DOI: 10.1016/0960-894X(96)00374-5 BindingDB Entry DOI: 10.7270/Q2930TPB
					More data for this Ligand-Target Pair
Diphosphomevalonate decarboxylase (Homo sapiens (Human))	BDBM50287715 ((2R)-1-({[(phosphonatooxy)phosphinato]oxy}acetyl)p...) Show SMILES [O-]C(=O)[C@H]1CCCN1C(=O)COP([O-])(=O)OP([O-])([O-])=O Show InChI InChI=1S/C7H13NO10P2/c9-6(8-3-1-2-5(8)7(10)11)4-17-20(15,16)18-19(12,13)14/h5H,1-4H2,(H,10,11)(H,15,16)(H2,12,13,14)/p-4/t5-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for its inhibitory activity against MevPP decarboxylase				Bioorg Med Chem Lett 6: 2091-2096 (1996) Article DOI: 10.1016/0960-894X(96)00374-5 BindingDB Entry DOI: 10.7270/Q2930TPB
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM3071 (2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 38 | 2-ani...) Show SMILES Cn1c2nc(Nc3ccccc3)ncc2cc(-c2c(Cl)cccc2Cl)c1=O |(-2.82,-1.97,;-2.82,-.43,;-4.15,.34,;-5.48,-.43,;-6.82,.34,;-8.15,-.43,;-8.15,-1.97,;-6.81,-2.74,;-6.81,-4.28,;-8.14,-5.05,;-9.48,-4.29,;-9.48,-2.75,;-6.82,1.88,;-5.48,2.65,;-4.15,1.88,;-2.82,2.65,;-1.48,1.88,;-.15,2.65,;-.15,4.19,;-1.48,4.96,;1.18,4.96,;2.52,4.19,;2.52,2.65,;1.18,1.88,;1.18,.34,;-1.48,.34,;-.15,-.43,)| Show InChI InChI=1S/C20H14Cl2N4O/c1-26-18-12(11-23-20(25-18)24-13-6-3-2-4-7-13)10-14(19(26)27)17-15(21)8-5-9-16(17)22/h2-11H,1H3,(H,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
ARIAD Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of Src protein tryrosine kinase				Bioorg Med Chem Lett 13: 3071-4 (2003) BindingDB Entry DOI: 10.7270/Q21J995T
					More data for this Ligand-Target Pair

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