Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50018721   

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
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50311245 ((S)-4-methyl-2-phenyl-N-(5-phenyl-1-(phenylsulfony...) Show SMILES Cc1nc(sc1C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H26N2O3S2/c1-21-26(34-28(29-21)23-13-7-3-8-14-23)27(31)30-24(18-17-22-11-5-2-6-12-22)19-20-35(32,33)25-15-9-4-10-16-25/h2-16,19-20,24H,17-18H2,1H3,(H,30,31)/b20-19+/t24-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50229129 (4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...) Show SMILES CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C=CS(=O)(=O)c1ccccc1 |r,w:31.34| Show InChI InChI=1S/C32H38N4O4S/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38)/t28-,30-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM31992 (Dipeptidyl nitrile inhibitor, 25) Show SMILES Cn1nc(cc1C(=O)N[C@@H](Cc1cccc(Cl)c1)C(=O)NCC#N)C(C)(C)C |r| Show InChI InChI=1S/C20H24ClN5O2/c1-20(2,3)17-12-16(26(4)25-17)19(28)24-15(18(27)23-9-8-22)11-13-6-5-7-14(21)10-13/h5-7,10,12,15H,9,11H2,1-4H3,(H,23,27)(H,24,28)/t15-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars		16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50554308 (CHEMBL4761511) Show SMILES CC(C)C[C@H](NC(=O)c1cc(nn1C)C(C)(C)C)C(=O)NC1(CC1)C#N |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50007619 (CHEMBL3233083) Show SMILES Ic1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C17H16IN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50554305 (CHEMBL4776795) Show SMILES Cn1nc(cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CC1)C#N)C(C)(C)C |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50554307 (CHEMBL4784502) Show SMILES CC(C)C[C@H](NC(=O)c1cc(nn1C)C(C)(C)C)C(=O)NCC#N |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50554304 (CHEMBL4752430) Show SMILES Cn1nc(cc1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N)C(C)(C)C |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007630 (CHEMBL3233095) Show SMILES Brc1c(OCC(=O)NCCc2nc3ccccc3[nH]2)ccc2ccccc12 Show InChI InChI=1S/C21H18BrN3O2/c22-21-15-6-2-1-5-14(15)9-10-18(21)27-13-20(26)23-12-11-19-24-16-7-3-4-8-17(16)25-19/h1-10H,11-13H2,(H,23,26)(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50554296 (CHEMBL4799785) Show SMILES Oc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)NCC#N)cc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		199	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50007620 (CHEMBL3233084) Show SMILES O=C(COc1ccccc1C#N)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C18H16N4O2/c19-11-13-5-1-4-8-16(13)24-12-18(23)20-10-9-17-21-14-6-2-3-7-15(14)22-17/h1-8H,9-10,12H2,(H,20,23)(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars		220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50611831 (CHEMBL5285296) Show SMILES Brc1ccnc(c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC#N |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50502835 (CHEMBL4463665) Show SMILES O=C(NC1(CC1)C#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C20H19N3O2/c21-14-20(11-12-20)23-19(25)17(13-15-7-3-1-4-8-15)22-18(24)16-9-5-2-6-10-16/h1-10,17H,11-13H2,(H,22,24)(H,23,25)/t17-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM31970 (Dipeptidyl nitrile inhibitor, 1) Show SMILES Clc1cccc(C[C@H](NC(=O)c2ccccc2)C(=O)NCC#N)c1 |r| Show InChI InChI=1S/C18H16ClN3O2/c19-15-8-4-5-13(11-15)12-16(18(24)21-10-9-20)22-17(23)14-6-2-1-3-7-14/h1-8,11,16H,10,12H2,(H,21,24)(H,22,23)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50007617 (CHEMBL3233081) Show SMILES Fc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C17H16FN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		360	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50611830 (CHEMBL5269694) Show SMILES O=C(NCC#N)[C@H](Cc1cc2ccccc2[nH]1)NC(=O)c1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		398	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM20119 ((2S)-N-(cyanomethyl)-3-phenyl-2-(phenylformamido)p...) Show SMILES O=C(NCC#N)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 |r| Show InChI InChI=1S/C18H17N3O2/c19-11-12-20-18(23)16(13-14-7-3-1-4-8-14)21-17(22)15-9-5-2-6-10-15/h1-10,16H,12-13H2,(H,20,23)(H,21,22)/t16-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	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 UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50322742 (CHEMBL1173694 | N-(2-(1H-benzo[d]imidazol-2-yl)eth...) Show SMILES Brc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C17H16BrN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cruzipain (Trypanosoma cruzi)	BDBM50126127 (CHEMBL3628943) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccn2nccc2n1)C1CCCC1 |r| Show InChI InChI=1S/C29H33F4N7O2/c1-3-4-9-22(23(41)17-42-28-26(32)20(30)14-21(31)27(28)33)40-16-24(37-38-40)29(2,18-7-5-6-8-18)34-15-19-11-13-39-25(36-19)10-12-35-39/h10-14,16,18,22,34H,3-9,15,17H2,1-2H3/t22?,29-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50611827 (CHEMBL5275445) Show SMILES CCOC(=O)\C=C/C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50463153 (CHEMBL4247075) Show SMILES CCOC(=O)\C=C\[C@H](O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C32H36N2O6/c1-2-39-30(36)21-20-29(35)27(19-18-24-12-6-3-7-13-24)33-31(37)28(22-25-14-8-4-9-15-25)34-32(38)40-23-26-16-10-5-11-17-26/h3-17,20-21,27-29,35H,2,18-19,22-23H2,1H3,(H,33,37)(H,34,38)/b21-20+/t27-,28-,29-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50463154 (CHEMBL4251480) Show SMILES CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C32H34N2O6/c1-2-39-30(36)21-20-29(35)27(19-18-24-12-6-3-7-13-24)33-31(37)28(22-25-14-8-4-9-15-25)34-32(38)40-23-26-16-10-5-11-17-26/h3-17,20-21,27-28H,2,18-19,22-23H2,1H3,(H,33,37)(H,34,38)/b21-20+/t27-,28-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50463143 (CHEMBL4245127) Show SMILES CCOC(=O)\C=C\C(=O)[C@H](CCc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C29H36N2O6/c1-4-36-27(33)18-17-26(32)24(16-15-22-11-7-5-8-12-22)30-28(34)25(19-21(2)3)31-29(35)37-20-23-13-9-6-10-14-23/h5-14,17-18,21,24-25H,4,15-16,19-20H2,1-3H3,(H,30,34)(H,31,35)/b18-17+/t24-,25-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	145	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007630 (CHEMBL3233095) Show SMILES Brc1c(OCC(=O)NCCc2nc3ccccc3[nH]2)ccc2ccccc12 Show InChI InChI=1S/C21H18BrN3O2/c22-21-15-6-2-1-5-14(15)9-10-18(21)27-13-20(26)23-12-11-19-24-16-7-3-4-8-17(16)25-19/h1-10H,11-13H2,(H,23,26)(H,24,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50306592 (3-(4-((S)-3-methyl-2-(quinolin-6-ylmethylamino)but...) Show SMILES CCCCC(C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(nn1)[C@@](C)(NCc1ccc2ncccc2c1)C(C)C |r| Show InChI InChI=1S/C30H33F4N5O2/c1-5-6-9-24(25(40)17-41-29-27(33)21(31)14-22(32)28(29)34)39-16-26(37-38-39)30(4,18(2)3)36-15-19-10-11-23-20(13-19)8-7-12-35-23/h7-8,10-14,16,18,24,36H,5-6,9,15,17H2,1-4H3/t24?,30-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50322742 (CHEMBL1173694 | N-(2-(1H-benzo[d]imidazol-2-yl)eth...) Show SMILES Brc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C17H16BrN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cruzipain (Trypanosoma cruzi)	BDBM50007623 (CHEMBL3233088) Show SMILES Brc1cccc(OCC(=O)NCCc2nc3ccccc3[nH]2)c1 Show InChI InChI=1S/C17H16BrN3O2/c18-12-4-3-5-13(10-12)23-11-17(22)19-9-8-16-20-14-6-1-2-7-15(14)21-16/h1-7,10H,8-9,11H2,(H,19,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007619 (CHEMBL3233083) Show SMILES Ic1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C17H16IN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50322743 (8-chloro-N-(3-morpholinopropyl)-5H-pyrimido[5,4-b]...) Show SMILES Clc1ccc2[nH]c3c(NCCCN4CCOCC4)ncnc3c2c1 Show InChI InChI=1S/C17H20ClN5O/c18-12-2-3-14-13(10-12)15-16(22-14)17(21-11-20-15)19-4-1-5-23-6-8-24-9-7-23/h2-3,10-11,22H,1,4-9H2,(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem		n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007624 (CHEMBL3233089) Show SMILES Brc1ccc(OCC(=O)NCCc2nc3ccccc3[nH]2)cc1 Show InChI InChI=1S/C17H16BrN3O2/c18-12-5-7-13(8-6-12)23-11-17(22)19-10-9-16-20-14-3-1-2-4-15(14)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007618 (CHEMBL3233082) Show SMILES Clc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C17H16ClN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007626 (CHEMBL3233091) Show SMILES O=C(COc1ccc2ccccc2c1)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C21H19N3O2/c25-21(14-26-17-10-9-15-5-1-2-6-16(15)13-17)22-12-11-20-23-18-7-3-4-8-19(18)24-20/h1-10,13H,11-12,14H2,(H,22,25)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007622 (CHEMBL1346687) Show SMILES Cc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C18H19N3O2/c1-13-6-2-5-9-16(13)23-12-18(22)19-11-10-17-20-14-7-3-4-8-15(14)21-17/h2-9H,10-12H2,1H3,(H,19,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007625 (CHEMBL3233090) Show SMILES O=C(COc1cccc2ccccc12)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C21H19N3O2/c25-21(14-26-19-11-5-7-15-6-1-2-8-16(15)19)22-13-12-20-23-17-9-3-4-10-18(17)24-20/h1-11H,12-14H2,(H,22,25)(H,23,24)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007617 (CHEMBL3233081) Show SMILES Fc1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C17H16FN3O2/c18-12-5-1-4-8-15(12)23-11-17(22)19-10-9-16-20-13-6-2-3-7-14(13)21-16/h1-8H,9-11H2,(H,19,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007634 (CHEMBL3233116) Show SMILES CC(=O)n1c(CCNC(=O)COc2ccc(Br)cc2)nc2ccccc12 Show InChI InChI=1S/C19H18BrN3O3/c1-13(24)23-17-5-3-2-4-16(17)22-18(23)10-11-21-19(25)12-26-15-8-6-14(20)7-9-15/h2-9H,10-12H2,1H3,(H,21,25)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50463153 (CHEMBL4247075) Show SMILES CCOC(=O)\C=C\[C@H](O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C32H36N2O6/c1-2-39-30(36)21-20-29(35)27(19-18-24-12-6-3-7-13-24)33-31(37)28(22-25-14-8-4-9-15-25)34-32(38)40-23-26-16-10-5-11-17-26/h3-17,20-21,27-29,35H,2,18-19,22-23H2,1H3,(H,33,37)(H,34,38)/b21-20+/t27-,28-,29-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007621 (CHEMBL3233085) Show SMILES [O-][N+](=O)c1ccccc1OCC(=O)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C17H16N4O4/c22-17(11-25-15-8-4-3-7-14(15)21(23)24)18-10-9-16-19-12-5-1-2-6-13(12)20-16/h1-8H,9-11H2,(H,18,22)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50233289 (CHEMBL1241726) Show SMILES Clc1ccc2c(NCCCN3CCOCC3)ccnc2c1 Show InChI InChI=1S/C16H20ClN3O/c17-13-2-3-14-15(4-6-19-16(14)12-13)18-5-1-7-20-8-10-21-11-9-20/h2-4,6,12H,1,5,7-11H2,(H,18,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50322743 (8-chloro-N-(3-morpholinopropyl)-5H-pyrimido[5,4-b]...) Show SMILES Clc1ccc2[nH]c3c(NCCCN4CCOCC4)ncnc3c2c1 Show InChI InChI=1S/C17H20ClN5O/c18-12-2-3-14-13(10-12)15-16(22-14)17(21-11-20-15)19-4-1-5-23-6-8-24-9-7-23/h2-3,10-11,22H,1,4-9H2,(H,19,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem		n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50463155 (CHEMBL4242650) Show SMILES CCOC(=O)\C=C\[C@@H](O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C32H36N2O6/c1-2-39-30(36)21-20-29(35)27(19-18-24-12-6-3-7-13-24)33-31(37)28(22-25-14-8-4-9-15-25)34-32(38)40-23-26-16-10-5-11-17-26/h3-17,20-21,27-29,35H,2,18-19,22-23H2,1H3,(H,33,37)(H,34,38)/b21-20+/t27-,28-,29+/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007633 (CHEMBL3233115) Show SMILES Clc1ccccc1OCC(=O)NCCc1nc2ccccc2n1CCC=C Show InChI InChI=1S/C21H22ClN3O2/c1-2-3-14-25-18-10-6-5-9-17(18)24-20(25)12-13-23-21(26)15-27-19-11-7-4-8-16(19)22/h2,4-11H,1,3,12-15H2,(H,23,26)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50233288 (CHEMBL460418) Show SMILES OCCCNc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C12H13ClN2O/c13-9-2-3-10-11(14-5-1-7-16)4-6-15-12(10)8-9/h2-4,6,8,16H,1,5,7H2,(H,14,15)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50233286 (CHEMBL528696 | TCMDC-125506) Show SMILES Clc1ccc2c(NCc3ccccc3)ccnc2c1 Show InChI InChI=1S/C16H13ClN2/c17-13-6-7-14-15(8-9-18-16(14)10-13)19-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars		n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50611828 (CHEMBL454439) Show SMILES CCCNc1ccnc2cc(Cl)ccc12 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50007632 (CHEMBL3233097) Show SMILES O=C(CSc1ccccc1)NCCc1nc2ccccc2[nH]1 Show InChI InChI=1S/C17H17N3OS/c21-17(12-22-13-6-2-1-3-7-13)18-11-10-16-19-14-8-4-5-9-15(14)20-16/h1-9H,10-12H2,(H,18,21)(H,19,20)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	3.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50120739 ((7-Chloro-quinolin-4-yl)-(2-morpholin-4-yl-ethyl)-...) Show SMILES Clc1ccc2c(NCCN3CCOCC3)ccnc2c1 Show InChI InChI=1S/C15H18ClN3O/c16-12-1-2-13-14(3-4-17-15(13)11-12)18-5-6-19-7-9-20-10-8-19/h1-4,11H,5-10H2,(H,17,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50611829 (CHEMBL4082855) Show SMILES Clc1ccc2c(NCC(=O)N3CCOCC3)ccnc2c1 Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50233287 (CHEMBL31000) Show SMILES OCCNc1ccnc2cc(Cl)ccc12 Show InChI InChI=1S/C11H11ClN2O/c12-8-1-2-9-10(14-5-6-15)3-4-13-11(9)7-8/h1-4,7,15H,5-6H2,(H,13,14)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	5.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 56 total )  |  Next  |  Last  >>

Jump to: