Compile Data Set for Download or QSAR
(2D       Computed 3D by Vconf -m prep )

Data curated solely by BindingDB

Found 34 hits of affinity data for UniProtKB/TrEMBL: P03951

Target (Institution)	Ligand	Target Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	pH	Temp °C
Factor XIa (fXIa) Homo sapiens (human)	BIBR1109 (4-[({1-methyl-5-[(2-methyl-1H-1,3-benzodiazol-1-yl...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	B.MOAD CSLS DrugBank MMDB PC cid PC sid PDB	PubMed	4100	-31.98	n/a	n/a	n/a	8	37
Boehringer Ingelheim Pharma KG					Structure. 9: 29-37 (2001)
Factor XIa (fXIa) Homo sapiens (human)	BIBM1015 (4-[({1-methyl-5-[1-(pyrrolidin-1-ylcarbonyl)cyclop...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	8200	-30.19	n/a	n/a	n/a	8	37
Boehringer Ingelheim Pharma KG					Structure. 9: 29-37 (2001)
Factor XIa (fXIa) Homo sapiens (human)	BIBT0871 (ethyl 2-{[(E)-{[1-(2-{[(4-carbamimidoylphenyl)amin...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	B.MOAD CSLS DrugBank MMDB PC cid PC sid PDB	PubMed	9000	-29.95	n/a	n/a	n/a	8	37
Boehringer Ingelheim Pharma KG					Structure. 9: 29-37 (2001)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 32 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	6.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 33 ((2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}am...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	7.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 34 ((2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}am...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	8.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 28 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	10.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 22 ((2S)-2-({[1-(4-bromophenyl)ethyl]carbamoyl}amino)-...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	10.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 37 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	12.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 30 ((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	28.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 35 ((2S)-2-[(2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carb...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	29.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 36 ((2S)-2-({[(1R)-1-(4-bromophenyl)ethyl]carbamoyl}am...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid PDB	PDB PubMed	n/a	n/a	30.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 23 ((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	45.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 15 ((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	63.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 16 ((2S,3R)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thi...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	76.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 7 ((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	93.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 24 ((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	114.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 29 ((2S)-2-[(2S)-2-({[(1S)-1-(4-bromophenyl)ethyl]carb...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	132.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 25 ((2S)-2-[(benzylcarbamoyl)amino]-N-[(1S)-1-{[(2S)-5...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	136.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 8 ((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	160.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 17 ((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	200.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 9 (ethyl 2-({[(1S)-1-{[(1S)-1-{[(2S)-5-carbamimidamid...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	258.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 18 ((2S)-N-[(S)-{[(2S)-5-carbamimidamido-1-oxo-1-(1,3-...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	340.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 26 (benzyl N-[(1S)-1-{[(1S)-1-{[(2S)-5-carbamimidamido...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	356.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 10 (ethyl 2-({[(1S)-1-{[(1S)-1-{[(2S)-5-carbamimidamid...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	403.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 31 ((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	533.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 19 ((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	710.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 20 ((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	920.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 11 ((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	1920.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 12 ((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	2200.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 14 ((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	2300.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 13 ((2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazo...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	PC cid PC sid	PubMed	n/a	n/a	2600.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 21 ((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	9200.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)
Factor XIa (fXIa) Homo sapiens (human)	alpha-ketothiazole analogue 27 ((2S)-N-[(1S)-1-{[(2S)-5-carbamimidamido-1-oxo-1-(1...)	B.MOAD DrugBank GoogleScholar KEGG MMDB PDB UniProtKB/SwissProt UniProtKB/TrEMBL	CSLS PC cid PC sid	PubMed	n/a	n/a	26000.0	n/a	n/a	7.4	30
Daiichi Asubio Medical Research Laboratories LLC (DAIAMED)					J Med Chem. 49: 7781-91 (2006)

• Reorder this table by ec50
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• Change energy unit to:  kcal/mole