BDBM50069161 CHEMBL2373344::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-(5-benzyl-3-benzyloxymethyl-[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(COCc2ccccc2)nc1Cc1ccccc1

InChI Key: InChIKey=KXVNPJHKDAQTEB-VTFYTQQRSA-N

Data: 4 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 4 hits for monomerid = 50069161   

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))	BDBM50069161 (CHEMBL2373344 | 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(COCc2ccccc2)nc1Cc1ccccc1 Show InChI InChI=1S/C34H46BN5O4/c1-33(2)26-19-27(33)34(3)28(20-26)43-35(44-34)29(16-10-11-17-36)37-32(41)21-40-31(18-24-12-6-4-7-13-24)38-30(39-40)23-42-22-25-14-8-5-9-15-25/h4-9,12-15,26-29H,10-11,16-23,36H2,1-3H3,(H,37,41)/t26-,27-,28+,29-,34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8.70	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
Prothrombin (Homo sapiens (Human))	BDBM50069161 (CHEMBL2373344 | 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(COCc2ccccc2)nc1Cc1ccccc1 Show InChI InChI=1S/C34H46BN5O4/c1-33(2)26-19-27(33)34(3)28(20-26)43-35(44-34)29(16-10-11-17-36)37-32(41)21-40-31(18-24-12-6-4-7-13-24)38-30(39-40)23-42-22-25-14-8-5-9-15-25/h4-9,12-15,26-29H,10-11,16-23,36H2,1-3H3,(H,37,41)/t26-,27-,28+,29-,34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.30E+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 Concentration of the compound necessary to double the time required for clot formation induced by the addition of 4 NIH u/mL(final concentration) bov...				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))	BDBM50069161 (CHEMBL2373344 | 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(COCc2ccccc2)nc1Cc1ccccc1 Show InChI InChI=1S/C34H46BN5O4/c1-33(2)26-19-27(33)34(3)28(20-26)43-35(44-34)29(16-10-11-17-36)37-32(41)21-40-31(18-24-12-6-4-7-13-24)38-30(39-40)23-42-22-25-14-8-5-9-15-25/h4-9,12-15,26-29H,10-11,16-23,36H2,1-3H3,(H,37,41)/t26-,27-,28+,29-,34-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+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))	BDBM50069161 (CHEMBL2373344 | 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(COCc2ccccc2)nc1Cc1ccccc1 Show InChI InChI=1S/C34H46BN5O4/c1-33(2)26-19-27(33)34(3)28(20-26)43-35(44-34)29(16-10-11-17-36)37-32(41)21-40-31(18-24-12-6-4-7-13-24)38-30(39-40)23-42-22-25-14-8-5-9-15-25/h4-9,12-15,26-29H,10-11,16-23,36H2,1-3H3,(H,37,41)/t26-,27-,28+,29-,34-/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	1.60E+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