Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 5753   

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
Complement C1s subcomponent (Homo sapiens (Human))	BDBM93094 (2-Guanidino-4-methylguinazoline) Show SMILES Cc1nc(NC(N)=N)nc2ccccc12 Show InChI InChI=1S/C10H11N5/c1-6-7-4-2-3-5-8(7)14-10(13-6)15-9(11)12/h2-5H,1H3,(H4,11,12,13,14,15)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	7.65E+4	-23.5	n/a	n/a	n/a	n/a	n/a	8.05	25.5
Michigan State University					Assay Description All readings were made in a Hitachi-Coleman ultraviolet-visible 101 spectrophotometer.				Biochemistry 8: 4503-10 (1969) Article DOI: 10.1021/bi00839a042 BindingDB Entry DOI: 10.7270/Q22R3Q87
					More data for this Ligand-Target Pair
Complement C1s subcomponent (Homo sapiens (Human))	BDBM93100 (N-z-L-Tyr) Show SMILES Oc1ccc(CC(NC(=O)c2ccccc2)C([O-])=O)cc1 Show InChI InChI=1S/C16H15NO4/c18-13-8-6-11(7-9-13)10-14(16(20)21)17-15(19)12-4-2-1-3-5-12/h1-9,14,18H,10H2,(H,17,19)(H,20,21)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	3.70E+5	-19.6	n/a	n/a	n/a	n/a	n/a	8.05	25.5
Michigan State University					Assay Description All readings were made in a Hitachi-Coleman ultraviolet-visible 101 spectrophotometer.				Biochemistry 8: 4503-10 (1969) Article DOI: 10.1021/bi00839a042 BindingDB Entry DOI: 10.7270/Q22R3Q87
					More data for this Ligand-Target Pair
Complement C1s subcomponent (Homo sapiens (Human))	BDBM93095 (Alpha-Phenylguanidine) Show SMILES NC(=N)Nc1ccccc1 Show InChI InChI=1S/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	5.48E+5	-18.6	n/a	n/a	n/a	n/a	n/a	8.05	25.5
Michigan State University					Assay Description All readings were made in a Hitachi-Coleman ultraviolet-visible 101 spectrophotometer.				Biochemistry 8: 4503-10 (1969) Article DOI: 10.1021/bi00839a042 BindingDB Entry DOI: 10.7270/Q22R3Q87
					More data for this Ligand-Target Pair
Complement C1s subcomponent (Homo sapiens (Human))	BDBM772 (Benzamidine | CHEMBL79897 | [amino(phenyl)methylid...) Show SMILES NC(=[NH2+])c1ccccc1 Show InChI InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	6.03E+5	-18.4	n/a	n/a	n/a	n/a	n/a	8.05	25.5
Michigan State University					Assay Description All readings were made in a Hitachi-Coleman ultraviolet-visible 101 spectrophotometer.				Biochemistry 8: 4503-10 (1969) Article DOI: 10.1021/bi00839a042 BindingDB Entry DOI: 10.7270/Q22R3Q87
					More data for this Ligand-Target Pair
Complement C1s subcomponent (Homo sapiens (Human))	BDBM93101 (N-Chloroacetyl-L-tyrosine) Show SMILES Oc1ccc(CC(NC(=O)CCl)C([O-])=O)cc1 Show InChI InChI=1S/C11H12ClNO4/c12-6-10(15)13-9(11(16)17)5-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6H2,(H,13,15)(H,16,17)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.12E+6	-16.9	n/a	n/a	n/a	n/a	n/a	8.05	25.5
Michigan State University					Assay Description All readings were made in a Hitachi-Coleman ultraviolet-visible 101 spectrophotometer.				Biochemistry 8: 4503-10 (1969) Article DOI: 10.1021/bi00839a042 BindingDB Entry DOI: 10.7270/Q22R3Q87
					More data for this Ligand-Target Pair
Complement C1s subcomponent (Homo sapiens (Human))	BDBM93096 (2-Guanidinobenzimidazole) Show SMILES NC(=N)NC1=Nc2ccccc2NC1 |t:4| Show InChI InChI=1S/C9H11N5/c10-9(11)14-8-5-12-6-3-1-2-4-7(6)13-8/h1-4,12H,5H2,(H4,10,11,13,14)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.97E+6	-14.4	n/a	n/a	n/a	n/a	n/a	8.05	25.5
Michigan State University					Assay Description All readings were made in a Hitachi-Coleman ultraviolet-visible 101 spectrophotometer.				Biochemistry 8: 4503-10 (1969) Article DOI: 10.1021/bi00839a042 BindingDB Entry DOI: 10.7270/Q22R3Q87
					More data for this Ligand-Target Pair
Complement C1s subcomponent (Homo sapiens (Human))	BDBM93097 (Guanidinacetic) Show SMILES NC(=N)NCC([O-])=O Show InChI InChI=1S/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)/q+1/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	4.37E+6	-13.5	n/a	n/a	n/a	n/a	n/a	8.05	25.5
Michigan State University					Assay Description All readings were made in a Hitachi-Coleman ultraviolet-visible 101 spectrophotometer.				Biochemistry 8: 4503-10 (1969) Article DOI: 10.1021/bi00839a042 BindingDB Entry DOI: 10.7270/Q22R3Q87
					More data for this Ligand-Target Pair
Complement C1s subcomponent (Homo sapiens (Human))	BDBM93098 (2,2'-Dimethyl-1-guanidinopropane) Show SMILES CC(C)(C)CNC(N)=N Show InChI InChI=1S/C6H15N3/c1-6(2,3)4-9-5(7)8/h4H2,1-3H3,(H4,7,8,9)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.34E+7	-10.7	n/a	n/a	n/a	n/a	n/a	8.05	25.5
Michigan State University					Assay Description All readings were made in a Hitachi-Coleman ultraviolet-visible 101 spectrophotometer.				Biochemistry 8: 4503-10 (1969) Article DOI: 10.1021/bi00839a042 BindingDB Entry DOI: 10.7270/Q22R3Q87
					More data for this Ligand-Target Pair
Complement C1s subcomponent (Homo sapiens (Human))	BDBM86154 (Aminoguanidine | CAS_2146 | NSC_2146) Show SMILES [#7]\[#7]=[#6](\[#7])-[#7] Show InChI InChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid UniChem Patents	Article PubMed	1.81E+7	-9.96	n/a	n/a	n/a	n/a	n/a	8.05	25.5
Michigan State University					Assay Description All readings were made in a Hitachi-Coleman ultraviolet-visible 101 spectrophotometer.				Biochemistry 8: 4503-10 (1969) Article DOI: 10.1021/bi00839a042 BindingDB Entry DOI: 10.7270/Q22R3Q87
					More data for this Ligand-Target Pair
Complement C1s subcomponent (Homo sapiens (Human))	BDBM93099 (p-Nitrobenzamidine) Show SMILES NC(=N)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C7H7N3O2/c8-7(9)5-1-3-6(4-2-5)10(11)12/h1-4H,(H3,8,9)/q+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	9.25E+7	-5.91	n/a	n/a	n/a	n/a	n/a	8.05	25.5
Michigan State University					Assay Description All readings were made in a Hitachi-Coleman ultraviolet-visible 101 spectrophotometer.				Biochemistry 8: 4503-10 (1969) Article DOI: 10.1021/bi00839a042 BindingDB Entry DOI: 10.7270/Q22R3Q87
					More data for this Ligand-Target Pair