BDBM12567 2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]sulfonamido]acetic acid::GTC000002A::pyrrolidin-2-one-based inhibitor 26

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

InChI Key: InChIKey=UAYCGHBBLVJXTC-YWZLYKJASA-N

Data: 1 KI  2 IC50

PDB links: 1 PDB ID contains inhibitors having a similarity of 90% to 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 3 hits for monomerid = 12567   

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))	BDBM12567 (2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpho...) Show SMILES C[C@H](N1CC[C@H](N(CC(O)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C23H26ClN3O7S/c1-15(22(30)25-8-10-34-11-9-25)26-7-6-20(23(26)31)27(14-21(28)29)35(32,33)19-5-3-16-12-18(24)4-2-17(16)13-19/h2-5,12-13,15,20H,6-11,14H2,1H3,(H,28,29)/t15-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	-11.9	n/a	n/a	n/a	n/a	n/a	7.8	25
GlaxoSmithKline					Assay Description The inhibitory effect of test compound for human fXa was determined by using the chromogenic substrate. The hydrolysis rates of chromogenic substrate...				Bioorg Med Chem Lett 16: 3784-8 (2006) Article DOI: 10.1016/j.bmcl.2006.04.053 BindingDB Entry DOI: 10.7270/Q2416V9V
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM12567 (2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpho...) Show SMILES C[C@H](N1CC[C@H](N(CC(O)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C23H26ClN3O7S/c1-15(22(30)25-8-10-34-11-9-25)26-7-6-20(23(26)31)27(14-21(28)29)35(32,33)19-5-3-16-12-18(24)4-2-17(16)13-19/h2-5,12-13,15,20H,6-11,14H2,1H3,(H,28,29)/t15-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	D3R	n/a	n/a	4.36	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))	BDBM12567 (2-[(6-chloronaphthalene-2-)[(3S)-1-[(2S)-1-(morpho...) Show SMILES C[C@H](N1CC[C@H](N(CC(O)=O)S(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CCOCC1 |r| Show InChI InChI=1S/C23H26ClN3O7S/c1-15(22(30)25-8-10-34-11-9-25)26-7-6-20(23(26)31)27(14-21(28)29)35(32,33)19-5-3-16-12-18(24)4-2-17(16)13-19/h2-5,12-13,15,20H,6-11,14H2,1H3,(H,28,29)/t15-,20-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	D3R	n/a	n/a	14.3	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