BDBM50069157 CHEMBL2373401::N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-pentyl]-2-(3,5-dibenzyl-[1,2,4]triazol-1-yl)-acetamide

SMILES: [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(Cc2ccccc2)nc1Cc1ccccc1

InChI Key: InChIKey=OFGYDRFDYOFDAH-KAGPHYKASA-N

Data: 3 KI

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 = 50069157   

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))	BDBM50069157 (CHEMBL2373401 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(Cc2ccccc2)nc1Cc1ccccc1 Show InChI InChI=1S/C33H44BN5O3/c1-32(2)25-20-26(32)33(3)27(21-25)41-34(42-33)28(16-10-11-17-35)36-31(40)22-39-30(19-24-14-8-5-9-15-24)37-29(38-39)18-23-12-6-4-7-13-23/h4-9,12-15,25-28H,10-11,16-22,35H2,1-3H3,(H,36,40)/t25-,26-,27+,28-,33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition against human thrombin				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Coagulation factor VII (Homo sapiens (Human))	BDBM50069157 (CHEMBL2373401 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(Cc2ccccc2)nc1Cc1ccccc1 Show InChI InChI=1S/C33H44BN5O3/c1-32(2)25-20-26(32)33(3)27(21-25)41-34(42-33)28(16-10-11-17-35)36-31(40)22-39-30(19-24-14-8-5-9-15-24)37-29(38-39)18-23-12-6-4-7-13-23/h4-9,12-15,25-28H,10-11,16-22,35H2,1-3H3,(H,36,40)/t25-,26-,27+,28-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition against human Coagulation factor VII				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50069157 (CHEMBL2373401 | N-[(R)-5-Amino-1-((1S,2S,6R,8S)-2,...) Show SMILES [H][C@@]12C[C@@]([H])(C1(C)C)[C@]1(C)OB(O[C@]1([H])C2)[C@H](CCCCN)NC(=O)Cn1nc(Cc2ccccc2)nc1Cc1ccccc1 Show InChI InChI=1S/C33H44BN5O3/c1-32(2)25-20-26(32)33(3)27(21-25)41-34(42-33)28(16-10-11-17-35)36-31(40)22-39-30(19-24-14-8-5-9-15-24)37-29(38-39)18-23-12-6-4-7-13-23/h4-9,12-15,25-28H,10-11,16-22,35H2,1-3H3,(H,36,40)/t25-,26-,27+,28-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition against human coagulation factor Xa				Bioorg Med Chem Lett 8: 775-80 (1999) BindingDB Entry DOI: 10.7270/Q2P84B1P
					More data for this Ligand-Target Pair