BDBM226018 GTC000003A

SMILES: C[C@H](N1CC[C@H](N(CC#N)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1

InChI Key: InChIKey=MMFJBPKSIQNYKR-KKSFZXQISA-N

Data: 2 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 2 hits for monomerid = 226018   

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))	BDBM226018 (GTC000003A) Show SMILES C[C@H](N1CC[C@H](N(CC#N)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 Show InChI InChI=1S/C23H25ClN4O5S/c1-16(22(29)26-10-12-33-13-11-26)27-8-6-21(23(27)30)28(9-7-25)34(31,32)20-5-3-17-14-19(24)4-2-18(17)15-20/h2-5,14-16,21H,6,8-13H2,1H3/t16-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	6.53	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description D3R246				D3R 246: (2015) BindingDB Entry DOI: 10.7270/Q2BV7FGN
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM226018 (GTC000003A) Show SMILES C[C@H](N1CC[C@H](N(CC#N)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 Show InChI InChI=1S/C23H25ClN4O5S/c1-16(22(29)26-10-12-33-13-11-26)27-8-6-21(23(27)30)28(9-7-25)34(31,32)20-5-3-17-14-19(24)4-2-18(17)15-20/h2-5,14-16,21H,6,8-13H2,1H3/t16-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	n/a	n/a	22.5	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description D3R245				D3R 245: (2015) BindingDB Entry DOI: 10.7270/Q2GM865X
					More data for this Ligand-Target Pair