BDBM50307275 CHEMBL601231::{4-[2-(2-Carbamimidoyl-benzo[b]thiophen-4-yloxy)-2-phenylethoxycarbonylamino]-3,5-dimethyl-pyrazol-1-yl}-acetic acid ethyl ester

SMILES: COC(=O)Cn1nc(C)c(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)c1C

InChI Key: InChIKey=BHABIMFLZUWIMZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50307275   

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
Coagulation factor IX (Homo sapiens (Human))	BDBM50307275 (CHEMBL601231 | {4-[2-(2-Carbamimidoyl-benzo[b]thio...) Show SMILES COC(=O)Cn1nc(C)c(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)c1C Show InChI InChI=1S/C26H27N5O5S/c1-15-24(16(2)31(30-15)13-23(32)34-3)29-26(33)35-14-20(17-8-5-4-6-9-17)36-19-10-7-11-21-18(19)12-22(37-21)25(27)28/h4-12,20H,13-14H2,1-3H3,(H3,27,28)(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trigen Ltd. Curated by ChEMBL					Assay Description Inhibition of human recombinant factor 9a by amidolytic assay				J Med Chem 53: 1473-82 (2010) Article DOI: 10.1021/jm901476x BindingDB Entry DOI: 10.7270/Q2P84C0N
					More data for this Ligand-Target Pair
Urokinase-type plasminogen activator (Homo sapiens (Human))	BDBM50307275 (CHEMBL601231 | {4-[2-(2-Carbamimidoyl-benzo[b]thio...) Show SMILES COC(=O)Cn1nc(C)c(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)c1C Show InChI InChI=1S/C26H27N5O5S/c1-15-24(16(2)31(30-15)13-23(32)34-3)29-26(33)35-14-20(17-8-5-4-6-9-17)36-19-10-7-11-21-18(19)12-22(37-21)25(27)28/h4-12,20H,13-14H2,1-3H3,(H3,27,28)(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trigen Ltd. Curated by ChEMBL					Assay Description Inhibition of uPA				J Med Chem 53: 1473-82 (2010) Article DOI: 10.1021/jm901476x BindingDB Entry DOI: 10.7270/Q2P84C0N
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50307275 (CHEMBL601231 | {4-[2-(2-Carbamimidoyl-benzo[b]thio...) Show SMILES COC(=O)Cn1nc(C)c(NC(=O)OCC(Oc2cccc3sc(cc23)C(N)=N)c2ccccc2)c1C Show InChI InChI=1S/C26H27N5O5S/c1-15-24(16(2)31(30-15)13-23(32)34-3)29-26(33)35-14-20(17-8-5-4-6-9-17)36-19-10-7-11-21-18(19)12-22(37-21)25(27)28/h4-12,20H,13-14H2,1-3H3,(H3,27,28)(H,29,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Trigen Ltd. Curated by ChEMBL					Assay Description Inhibition of factor 10a by amidolytic assay				J Med Chem 53: 1473-82 (2010) Article DOI: 10.1021/jm901476x BindingDB Entry DOI: 10.7270/Q2P84C0N
					More data for this Ligand-Target Pair