BDBM352429 N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-c]pyridin-7-yl)-2-azabicyclo[2.2.1]heptan-7-yl)-2-chloro-4-(3-methyl-1H-1,2,4-triazol-1-yl)benzamide ::US9808445, 7.1::US9808445, 7.2

SMILES: Cc1ncn(n1)-c1ccc(C(=O)N[C@@H]2[C@H]3CC[C@@H]2N(C3)c2ncc(Cl)c3c(N)noc23)c(Cl)c1

InChI Key: InChIKey=KWAYYBDVPSPGPN-SDDDUWNISA-N

Data: 2 IC50

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 2 hits for monomerid = 352429   

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))	BDBM352429 (N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...) Show SMILES Cc1ncn(n1)-c1ccc(C(=O)N[C@@H]2[C@H]3CC[C@@H]2N(C3)c2ncc(Cl)c3c(N)noc23)c(Cl)c1 |TLB:20:18:16.15:13| Show InChI InChI=1S/C22H20Cl2N8O2/c1-10-27-9-32(29-10)12-3-4-13(14(23)6-12)22(33)28-18-11-2-5-16(18)31(8-11)21-19-17(15(24)7-26-21)20(25)30-34-19/h3-4,6-7,9,11,16,18H,2,5,8H2,1H3,(H2,25,30)(H,28,33)/t11-,16-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Coagulation factor IX (Homo sapiens (Human))	BDBM352429 (N-((1S*,4S*,7R*)-2-(3-Amino-4-chloroisoxazolo[5,4-...) Show SMILES Cc1ncn(n1)-c1ccc(C(=O)N[C@@H]2[C@H]3CC[C@@H]2N(C3)c2ncc(Cl)c3c(N)noc23)c(Cl)c1 |TLB:20:18:16.15:13| Show InChI InChI=1S/C22H20Cl2N8O2/c1-10-27-9-32(29-10)12-3-4-13(14(23)6-12)22(33)28-18-11-2-5-16(18)31(8-11)21-19-17(15(24)7-26-21)20(25)30-34-19/h3-4,6-7,9,11,16,18H,2,5,8H2,1H3,(H2,25,30)(H,28,33)/t11-,16-,18+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp.; Mochida Pharmaceutical Co., Ltd. US Patent					Assay Description Inhibitory activity against factor IXa was tested using the substrate SPECTROFLUOR FIXa (american diagnostica inc.; 500 West Avenue, Stamford, Conn. ...				US Patent US9808445 (2017) BindingDB Entry DOI: 10.7270/Q28G8NV1
					More data for this Ligand-Target Pair				3D Structure (crystal)