BDBM50295599 (2S,4R)-4-(5-chlorothiophene-2-carboxamido)-N-(cyclopropylmethyl)-1-(2-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenylamino)-2-oxoethyl)pyrrolidine-2-carboxamide::(4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-N-(cyclopropylmethyl)-1-(2-{[2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-2-oxoethyl)-L-prolinamide::CHEMBL563458

SMILES: Fc1cc(ccc1NC(=O)CN1C[C@@H](C[C@H]1C(=O)NCC1CC1)NC(=O)c1ccc(Cl)s1)-n1ccccc1=O

InChI Key: InChIKey=LRFNMAKOTZSBFP-UTKZUKDTSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 = 50295599   

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 X (Homo sapiens (Human))	BDBM50295599 ((2S,4R)-4-(5-chlorothiophene-2-carboxamido)-N-(cyc...) Show SMILES Fc1cc(ccc1NC(=O)CN1C[C@@H](C[C@H]1C(=O)NCC1CC1)NC(=O)c1ccc(Cl)s1)-n1ccccc1=O |r| Show InChI InChI=1S/C27H27ClFN5O4S/c28-23-9-8-22(39-23)27(38)31-17-11-21(26(37)30-13-16-4-5-16)33(14-17)15-24(35)32-20-7-6-18(12-19(20)29)34-10-2-1-3-25(34)36/h1-3,6-10,12,16-17,21H,4-5,11,13-15H2,(H,30,37)(H,31,38)(H,32,35)/t17-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann - La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to factor 10a				Eur J Med Chem 44: 2787-95 (2009) Article DOI: 10.1016/j.ejmech.2008.12.025 BindingDB Entry DOI: 10.7270/Q2CV4HSP
					More data for this Ligand-Target Pair				3D Structure (crystal)