BDBM50147058 4-[4-(5-Cyclobutylmethoxy-1-phenyl-1H-pyrazol-4-yl)-thiazol-2-yl]-5-methylsulfanyl-thiophene-2-carboxamidine::CHEMBL102835

SMILES: CSc1sc(cc1-c1nc(cs1)-c1cnn(c1OCC1CCC1)-c1ccccc1)C(N)=N

InChI Key: InChIKey=YIMJJUVMUFRTSH-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50147058   

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))	BDBM50147058 (4-[4-(5-Cyclobutylmethoxy-1-phenyl-1H-pyrazol-4-yl...) Show SMILES CSc1sc(cc1-c1nc(cs1)-c1cnn(c1OCC1CCC1)-c1ccccc1)C(N)=N Show InChI InChI=1S/C23H23N5OS3/c1-30-23-16(10-19(32-23)20(24)25)21-27-18(13-31-21)17-11-26-28(15-8-3-2-4-9-15)22(17)29-12-14-6-5-7-14/h2-4,8-11,13-14H,5-7,12H2,1H3,(H3,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	530	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