Compile Data Set for Download or QSAR

Found 24 hits of ic50 data for polymerid = 50001044   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50437999 (CHEMBL2409452) Show SMILES COC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C17H13N3O5/c1-10-4-3-5-11(8-10)16(21)19-14-7-6-12(20(23)24)9-13(14)15(18-19)17(22)25-2/h3-9H,1-2H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human pancreatic chymotrypsin using Suc-Ala-Ala-Pro-7-amino-4-methylcoumarin as substrate by fluorescence microplate reader analysis				J Med Chem 56: 6259-72 (2013) Article DOI: 10.1021/jm400742j BindingDB Entry DOI: 10.7270/Q2MC91FN
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50437997 (CHEMBL2409457) Show SMILES CCOC(=O)c1nn(C(=O)c2cccc(OC)c2)c2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C18H15N3O6/c1-3-27-18(23)16-14-10-12(21(24)25)7-8-15(14)20(19-16)17(22)11-5-4-6-13(9-11)26-2/h4-10H,3H2,1-2H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human pancreatic chymotrypsin using Suc-Ala-Ala-Pro-7-amino-4-methylcoumarin as substrate by fluorescence microplate reader analysis				J Med Chem 56: 6259-72 (2013) Article DOI: 10.1021/jm400742j BindingDB Entry DOI: 10.7270/Q2MC91FN
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50438000 (CHEMBL2409451) Show SMILES COC(=O)c1nn(C(=O)c2ccccc2)c2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C16H11N3O5/c1-24-16(21)14-12-9-11(19(22)23)7-8-13(12)18(17-14)15(20)10-5-3-2-4-6-10/h2-9H,1H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human pancreatic chymotrypsin using Suc-Ala-Ala-Pro-7-amino-4-methylcoumarin as substrate by fluorescence microplate reader analysis				J Med Chem 56: 6259-72 (2013) Article DOI: 10.1021/jm400742j BindingDB Entry DOI: 10.7270/Q2MC91FN
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50437992 (CHEMBL2409445) Show SMILES COC(=O)c1nn(C(=O)c2cccc(C)c2)c2cc(ccc12)[N+]([O-])=O Show InChI InChI=1S/C17H13N3O5/c1-10-4-3-5-11(8-10)16(21)19-14-9-12(20(23)24)6-7-13(14)15(18-19)17(22)25-2/h3-9H,1-2H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human pancreatic chymotrypsin using Suc-Ala-Ala-Pro-7-amino-4-methylcoumarin as substrate by fluorescence microplate reader analysis				J Med Chem 56: 6259-72 (2013) Article DOI: 10.1021/jm400742j BindingDB Entry DOI: 10.7270/Q2MC91FN
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50437998 (CHEMBL2409456) Show SMILES CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C18H15N3O5/c1-3-26-18(23)16-14-10-13(21(24)25)7-8-15(14)20(19-16)17(22)12-6-4-5-11(2)9-12/h4-10H,3H2,1-2H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human pancreatic chymotrypsin using Suc-Ala-Ala-Pro-7-amino-4-methylcoumarin as substrate by fluorescence microplate reader analysis				J Med Chem 56: 6259-72 (2013) Article DOI: 10.1021/jm400742j BindingDB Entry DOI: 10.7270/Q2MC91FN
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50437996 (CHEMBL2409458) Show SMILES CCOC(=O)c1nn(C(=O)c2ccsc2)c2ccc(cc12)[N+]([O-])=O Show InChI InChI=1S/C15H11N3O5S/c1-2-23-15(20)13-11-7-10(18(21)22)3-4-12(11)17(16-13)14(19)9-5-6-24-8-9/h3-8H,2H2,1H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human pancreatic chymotrypsin using Suc-Ala-Ala-Pro-7-amino-4-methylcoumarin as substrate by fluorescence microplate reader analysis				J Med Chem 56: 6259-72 (2013) Article DOI: 10.1021/jm400742j BindingDB Entry DOI: 10.7270/Q2MC91FN
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50437991 (CHEMBL2409450) Show SMILES Cc1cccc(c1)C(=O)n1nc(C#N)c2ccccc12 Show InChI InChI=1S/C16H11N3O/c1-11-5-4-6-12(9-11)16(20)19-15-8-3-2-7-13(15)14(10-17)18-19/h2-9H,1H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human pancreatic chymotrypsin using Suc-Ala-Ala-Pro-7-amino-4-methylcoumarin as substrate by fluorescence microplate reader analysis				J Med Chem 56: 6259-72 (2013) Article DOI: 10.1021/jm400742j BindingDB Entry DOI: 10.7270/Q2MC91FN
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50437994 (CHEMBL2409571) Show SMILES CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC(=O)CC)cc12 Show InChI InChI=1S/C21H21N3O4/c1-4-18(25)22-15-9-10-17-16(12-15)19(21(27)28-5-2)23-24(17)20(26)14-8-6-7-13(3)11-14/h6-12H,4-5H2,1-3H3,(H,22,25)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human pancreatic chymotrypsin using Suc-Ala-Ala-Pro-7-amino-4-methylcoumarin as substrate by fluorescence microplate reader analysis				J Med Chem 56: 6259-72 (2013) Article DOI: 10.1021/jm400742j BindingDB Entry DOI: 10.7270/Q2MC91FN
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50437995 (CHEMBL2409570) Show SMILES CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC(C)=O)cc12 Show InChI InChI=1S/C20H19N3O4/c1-4-27-20(26)18-16-11-15(21-13(3)24)8-9-17(16)23(22-18)19(25)14-7-5-6-12(2)10-14/h5-11H,4H2,1-3H3,(H,21,24)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human pancreatic chymotrypsin using Suc-Ala-Ala-Pro-7-amino-4-methylcoumarin as substrate by fluorescence microplate reader analysis				J Med Chem 56: 6259-72 (2013) Article DOI: 10.1021/jm400742j BindingDB Entry DOI: 10.7270/Q2MC91FN
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50437993 (CHEMBL2409575) Show SMILES CCOC(=O)c1nn(C(=O)c2cccc(C)c2)c2ccc(NC(=O)C3CC3)cc12 Show InChI InChI=1S/C22H21N3O4/c1-3-29-22(28)19-17-12-16(23-20(26)14-7-8-14)9-10-18(17)25(24-19)21(27)15-6-4-5-13(2)11-15/h4-6,9-12,14H,3,7-8H2,1-2H3,(H,23,26)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	370	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of human pancreatic chymotrypsin using Suc-Ala-Ala-Pro-7-amino-4-methylcoumarin as substrate by fluorescence microplate reader analysis				J Med Chem 56: 6259-72 (2013) Article DOI: 10.1021/jm400742j BindingDB Entry DOI: 10.7270/Q2MC91FN
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM2581 (3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^...) Show SMILES O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21 Show InChI InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against Chymotrypsinogen from Thermus flavus				J Med Chem 46: 1478-83 (2003) Article DOI: 10.1021/jm020427b BindingDB Entry DOI: 10.7270/Q2R78FZT
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50111589 (2-[(3,5-diiodo-4-oxidophenyl)(3,5-diiodo-4-oxocycl...) Show SMILES [#8-]-[#6](=O)-c1ccccc1\[#6](=[#6]-1\[#6]=[#6](I)-[#6](=O)-[#6](I)=[#6]-1)-c1cc(I)c(-[#8-])c(I)c1 |c:18,t:12| Show InChI InChI=1S/C20H10I4O4/c21-13-5-9(6-14(22)18(13)25)17(10-7-15(23)19(26)16(24)8-10)11-3-1-2-4-12(11)20(27)28/h1-8,25H,(H,27,28)/p-2	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against Chymotrypsinogen from Thermus flavus				J Med Chem 46: 1478-83 (2003) Article DOI: 10.1021/jm020427b BindingDB Entry DOI: 10.7270/Q2R78FZT
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50111604 (3-[(4-Phenoxy-phenylamino)-methylene]-3H-isobenzof...) Show SMILES Oc1oc(\C=N\c2ccc(Oc3ccccc3)cc2)c2ccccc12 Show InChI InChI=1S/C21H15NO3/c23-21-19-9-5-4-8-18(19)20(25-21)14-22-15-10-12-17(13-11-15)24-16-6-2-1-3-7-16/h1-14,23H/b22-14+	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against Chymotrypsinogen from Thermus flavus				J Med Chem 46: 1478-83 (2003) Article DOI: 10.1021/jm020427b BindingDB Entry DOI: 10.7270/Q2R78FZT
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM3175 (3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against Chymotrypsinogen from Thermus flavus				J Med Chem 46: 1478-83 (2003) Article DOI: 10.1021/jm020427b BindingDB Entry DOI: 10.7270/Q2R78FZT
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50111585 (4-(4-Bromo-phenylazo)-phenol | 4-bromophenylazophe...) Show SMILES Oc1ccc(cc1)N=Nc1ccc(Br)cc1 |w:8.9| Show InChI InChI=1S/C12H9BrN2O/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(16)8-6-11/h1-8,16H	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against Chymotrypsinogen from Thermus flavus				J Med Chem 46: 1478-83 (2003) Article DOI: 10.1021/jm020427b BindingDB Entry DOI: 10.7270/Q2R78FZT
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50126829 ((E)-1-(6-(3-acetyl-2,4,6-trihydroxy-5-methylbenzyl...) Show SMILES CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c3C=CC(C)(C)Oc3c(C(=O)C=Cc3ccccc3)c2O)c1O |w:26.26,c:16| Show InChI InChI=1S/C30H28O8/c1-15-24(33)19(27(36)22(16(2)31)25(15)34)14-20-26(35)18-12-13-30(3,4)38-29(18)23(28(20)37)21(32)11-10-17-8-6-5-7-9-17/h5-13,33-37H,14H2,1-4H3	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against Chymotrypsinogen from Thermus flavus				J Med Chem 46: 1478-83 (2003) Article DOI: 10.1021/jm020427b BindingDB Entry DOI: 10.7270/Q2R78FZT
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50055218 (1-(2-naphthlmethyl) isatin-5-carboxamide | 1-Napht...) Show SMILES NC(=O)c1ccc2N(Cc3ccc4ccccc4c3)C(=O)C(=O)c2c1 Show InChI InChI=1S/C20H14N2O3/c21-19(24)15-7-8-17-16(10-15)18(23)20(25)22(17)11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H2,21,24)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of chymotrypsin				J Med Chem 49: 3440-3 (2006) Article DOI: 10.1021/jm0602357 BindingDB Entry DOI: 10.7270/Q2TD9WZX
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50310357 (CHEMBL599552 | indigo) Show SMILES O=C1C(Nc2ccccc12)=C1Nc2ccccc2C1=O |w:2.2| Show InChI InChI=1S/C16H10N2O2/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h1-8,17-18H	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against Chymotrypsinogen from Thermus flavus				J Med Chem 46: 1478-83 (2003) Article DOI: 10.1021/jm020427b BindingDB Entry DOI: 10.7270/Q2R78FZT
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50126827 (4-(1-Hydroxy-naphthalen-2-ylazo)-naphthalene-1-sul...) Show SMILES Oc1c(ccc2ccccc12)N=Nc1ccc(c2ccccc12)S([O-])(=O)=O |w:11.12| Show InChI InChI=1S/C20H14N2O4S/c23-20-14-6-2-1-5-13(14)9-10-18(20)22-21-17-11-12-19(27(24,25)26)16-8-4-3-7-15(16)17/h1-12,23H,(H,24,25,26)/p-1	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against Chymotrypsinogen from Thermus flavus				J Med Chem 46: 1478-83 (2003) Article DOI: 10.1021/jm020427b BindingDB Entry DOI: 10.7270/Q2R78FZT
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50111591 (4-[2-(2,4-Difluoro-phenylamino)-thiazol-4-yl]-benz...) Show SMILES Oc1ccc(cc1O)-c1csc(Nc2ccc(F)cc2F)n1 Show InChI InChI=1S/C15H10F2N2O2S/c16-9-2-3-11(10(17)6-9)18-15-19-12(7-22-15)8-1-4-13(20)14(21)5-8/h1-7,20-21H,(H,18,19)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against Chymotrypsinogen from Thermus flavus				J Med Chem 46: 1478-83 (2003) Article DOI: 10.1021/jm020427b BindingDB Entry DOI: 10.7270/Q2R78FZT
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM7460 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...) Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against Chymotrypsinogen from Thermus flavus				J Med Chem 46: 1478-83 (2003) Article DOI: 10.1021/jm020427b BindingDB Entry DOI: 10.7270/Q2R78FZT
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50023867 (Indirubin) Show SMILES Oc1[nH]c2ccccc2c1C1=Nc2ccccc2C1=O |t:12| Show InChI InChI=1S/C16H10N2O2/c19-15-10-6-2-4-8-12(10)17-14(15)13-9-5-1-3-7-11(9)18-16(13)20/h1-8,18,20H	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against Chymotrypsinogen from Thermus flavus				J Med Chem 46: 1478-83 (2003) Article DOI: 10.1021/jm020427b BindingDB Entry DOI: 10.7270/Q2R78FZT
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM50072147 ((2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)...) Show SMILES Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N Show InChI InChI=1S/C18H16N6S2/c19-9-11(17(23)25-15-7-3-1-5-13(15)21)12(10-20)18(24)26-16-8-4-2-6-14(16)22/h1-8,11-12,23-24H,21-22H2	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against Chymotrypsinogen from Thermus flavus				J Med Chem 46: 1478-83 (2003) Article DOI: 10.1021/jm020427b BindingDB Entry DOI: 10.7270/Q2R78FZT
					More data for this Ligand-Target Pair
Chymotrypsinogen B (Homo sapiens (Human))	BDBM2681 (3-{1-[3-(dimethylamino)propyl]-1H-indol-3-yl}-4-(1...) Show SMILES CN(C)CCCn1cc(C2=C(C(=O)NC2=O)c2cn(C)c3ccccc23)c2ccccc12 |t:9| Show InChI InChI=1S/C26H26N4O2/c1-28(2)13-8-14-30-16-20(18-10-5-7-12-22(18)30)24-23(25(31)27-26(24)32)19-15-29(3)21-11-6-4-9-17(19)21/h4-7,9-12,15-16H,8,13-14H2,1-3H3,(H,27,31,32)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against Chymotrypsinogen from Thermus flavus				J Med Chem 46: 1478-83 (2003) Article DOI: 10.1021/jm020427b BindingDB Entry DOI: 10.7270/Q2R78FZT
					More data for this Ligand-Target Pair