BDBM50147046 5-Methylsulfanyl-4-[4-(5-propoxy-1-pyridin-2-yl-1H-pyrazol-4-yl)-thiazol-2-yl]-thiophene-2-carboxamidine::CHEMBL317917

SMILES: CCCOc1c(cnn1-c1ccccn1)-c1csc(n1)-c1cc(sc1SC)C(N)=N

InChI Key: InChIKey=QXVGJSQBMXLJEN-UHFFFAOYSA-N

Data: 5 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50147046   

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
Complement C1s (Homo sapiens (Human))	BDBM50147046 (5-Methylsulfanyl-4-[4-(5-propoxy-1-pyridin-2-yl-1H...) Show SMILES CCCOc1c(cnn1-c1ccccn1)-c1csc(n1)-c1cc(sc1SC)C(N)=N Show InChI InChI=1S/C20H20N6OS3/c1-3-8-27-19-13(10-24-26(19)16-6-4-5-7-23-16)14-11-29-18(25-14)12-9-15(17(21)22)30-20(12)28-2/h4-7,9-11H,3,8H2,1-2H3,(H3,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Inc Curated by ChEMBL					Assay Description In vitro binding affinity towards human Complement C1s subcomponent				Bioorg Med Chem Lett 14: 3043-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.034 BindingDB Entry DOI: 10.7270/Q2K35T33
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50147046 (5-Methylsulfanyl-4-[4-(5-propoxy-1-pyridin-2-yl-1H...) Show SMILES CCCOc1c(cnn1-c1ccccn1)-c1csc(n1)-c1cc(sc1SC)C(N)=N Show InChI InChI=1S/C20H20N6OS3/c1-3-8-27-19-13(10-24-26(19)16-6-4-5-7-23-16)14-11-29-18(25-14)12-9-15(17(21)22)30-20(12)28-2/h4-7,9-11H,3,8H2,1-2H3,(H3,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Inc Curated by ChEMBL					Assay Description In vitro binding affinity towards trypsin was determined				Bioorg Med Chem Lett 14: 3043-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.034 BindingDB Entry DOI: 10.7270/Q2K35T33
					More data for this Ligand-Target Pair
Plasmin (Rattus norvegicus)	BDBM50147046 (5-Methylsulfanyl-4-[4-(5-propoxy-1-pyridin-2-yl-1H...) Show SMILES CCCOc1c(cnn1-c1ccccn1)-c1csc(n1)-c1cc(sc1SC)C(N)=N Show InChI InChI=1S/C20H20N6OS3/c1-3-8-27-19-13(10-24-26(19)16-6-4-5-7-23-16)14-11-29-18(25-14)12-9-15(17(21)22)30-20(12)28-2/h4-7,9-11H,3,8H2,1-2H3,(H3,21,22)	MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Inc Curated by ChEMBL					Assay Description In vitro binding affinity towards plasmin was determined				Bioorg Med Chem Lett 14: 3043-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.034 BindingDB Entry DOI: 10.7270/Q2K35T33
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50147046 (5-Methylsulfanyl-4-[4-(5-propoxy-1-pyridin-2-yl-1H...) Show SMILES CCCOc1c(cnn1-c1ccccn1)-c1csc(n1)-c1cc(sc1SC)C(N)=N Show InChI InChI=1S/C20H20N6OS3/c1-3-8-27-19-13(10-24-26(19)16-6-4-5-7-23-16)14-11-29-18(25-14)12-9-15(17(21)22)30-20(12)28-2/h4-7,9-11H,3,8H2,1-2H3,(H3,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Inc Curated by ChEMBL					Assay Description In vitro binding affinity towards Coagulation factor X was determined				Bioorg Med Chem Lett 14: 3043-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.034 BindingDB Entry DOI: 10.7270/Q2K35T33
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50147046 (5-Methylsulfanyl-4-[4-(5-propoxy-1-pyridin-2-yl-1H...) Show SMILES CCCOc1c(cnn1-c1ccccn1)-c1csc(n1)-c1cc(sc1SC)C(N)=N Show InChI InChI=1S/C20H20N6OS3/c1-3-8-27-19-13(10-24-26(19)16-6-4-5-7-23-16)14-11-29-18(25-14)12-9-15(17(21)22)30-20(12)28-2/h4-7,9-11H,3,8H2,1-2H3,(H3,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Inc Curated by ChEMBL					Assay Description In vitro binding affinity towards thrombin was determined				Bioorg Med Chem Lett 14: 3043-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.034 BindingDB Entry DOI: 10.7270/Q2K35T33
					More data for this Ligand-Target Pair
Complement C1s (Homo sapiens (Human))	BDBM50147046 (5-Methylsulfanyl-4-[4-(5-propoxy-1-pyridin-2-yl-1H...) Show SMILES CCCOc1c(cnn1-c1ccccn1)-c1csc(n1)-c1cc(sc1SC)C(N)=N Show InChI InChI=1S/C20H20N6OS3/c1-3-8-27-19-13(10-24-26(19)16-6-4-5-7-23-16)14-11-29-18(25-14)12-9-15(17(21)22)30-20(12)28-2/h4-7,9-11H,3,8H2,1-2H3,(H3,21,22)	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	300	n/a	n/a	n/a	n/a	n/a	n/a
3-Dimensional Pharmaceuticals Inc Curated by ChEMBL					Assay Description Inhibitory activity of the compound against human Complement C1s subcomponent in erythrocyte hemolytic assay				Bioorg Med Chem Lett 14: 3043-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.034 BindingDB Entry DOI: 10.7270/Q2K35T33
					More data for this Ligand-Target Pair