BDBM50328705 CHEMBL1270156::Tanogitran

SMILES: Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)[C@@](C)(NCC(O)=O)C(=O)N1CCCC1

InChI Key: InChIKey=MAOALPSHCIBFJZ-RUZDIDTESA-N

Data: 2 KI  1 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 3 hits for monomerid = 50328705   

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
Prothrombin (Homo sapiens (Human))	BDBM50328705 (CHEMBL1270156 | Tanogitran) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)[C@@](C)(NCC(O)=O)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C25H31N7O3/c1-25(29-15-22(33)34,24(35)32-11-3-4-12-32)17-7-10-20-19(13-17)30-21(31(20)2)14-28-18-8-5-16(6-9-18)23(26)27/h5-10,13,28-29H,3-4,11-12,14-15H2,1-2H3,(H3,26,27)(H,33,34)/t25-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of thrombin				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50328705 (CHEMBL1270156 | Tanogitran) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)[C@@](C)(NCC(O)=O)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C25H31N7O3/c1-25(29-15-22(33)34,24(35)32-11-3-4-12-32)17-7-10-20-19(13-17)30-21(31(20)2)14-28-18-8-5-16(6-9-18)23(26)27/h5-10,13,28-29H,3-4,11-12,14-15H2,1-2H3,(H3,26,27)(H,33,34)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description Inhibition of factor 10a				J Med Chem 53: 6243-74 (2010) Article DOI: 10.1021/jm100146h BindingDB Entry DOI: 10.7270/Q2CR5VBB
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50328705 (CHEMBL1270156 | Tanogitran) Show SMILES Cn1c(CNc2ccc(cc2)C(N)=N)nc2cc(ccc12)[C@@](C)(NCC(O)=O)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C25H31N7O3/c1-25(29-15-22(33)34,24(35)32-11-3-4-12-32)17-7-10-20-19(13-17)30-21(31(20)2)14-28-18-8-5-16(6-9-18)23(26)27/h5-10,13,28-29H,3-4,11-12,14-15H2,1-2H3,(H3,26,27)(H,33,34)/t25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis R&D Curated by ChEMBL					Assay Description Inhibition of factor-10a (unknown origin)				J Med Chem 56: 9441-56 (2014) Article DOI: 10.1021/jm4005835 BindingDB Entry DOI: 10.7270/Q20K2B0C
					More data for this Ligand-Target Pair