BDBM241441 US9409908, 177::US9409908, 178::US9409908, 73::US9951071, Example 73

SMILES: COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CC(C)C(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1

InChI Key: InChIKey=NPKCSHLGQLVUNO-ILPYMAIGSA-N

Data: 12 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 12 hits for monomerid = 241441   

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))	BDBM241441 (US9409908, 177 | US9409908, 178 | US9409908, 73 | ...) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CC(C)C(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:23| Show InChI InChI=1S/C32H31ClF2N4O4/c1-17-5-4-6-27(39-16-18(2)22(15-28(39)40)29-24(34)10-9-23(33)30(29)35)26-13-19(11-12-36-26)21-8-7-20(37-32(42)43-3)14-25(21)38-31(17)41/h7-15,17-18,27H,4-6,16H2,1-3H3,(H,37,42)(H,38,41)/t17-,18?,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM241441 (US9409908, 177 | US9409908, 178 | US9409908, 73 | ...) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CC(C)C(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:23| Show InChI InChI=1S/C32H31ClF2N4O4/c1-17-5-4-6-27(39-16-18(2)22(15-28(39)40)29-24(34)10-9-23(33)30(29)35)26-13-19(11-12-36-26)21-8-7-20(37-32(42)43-3)14-25(21)38-31(17)41/h7-15,17-18,27H,4-6,16H2,1-3H3,(H,37,42)(H,38,41)/t17-,18?,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				J Med Chem 51: 487-501 (2008) BindingDB Entry DOI: 10.7270/Q2R78HKQ
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241441 (US9409908, 177 | US9409908, 178 | US9409908, 73 | ...) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CC(C)C(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:23| Show InChI InChI=1S/C32H31ClF2N4O4/c1-17-5-4-6-27(39-16-18(2)22(15-28(39)40)29-24(34)10-9-23(33)30(29)35)26-13-19(11-12-36-26)21-8-7-20(37-32(42)43-3)14-25(21)38-31(17)41/h7-15,17-18,27H,4-6,16H2,1-3H3,(H,37,42)(H,38,41)/t17-,18?,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.880	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM241441 (US9409908, 177 | US9409908, 178 | US9409908, 73 | ...) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CC(C)C(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:23| Show InChI InChI=1S/C32H31ClF2N4O4/c1-17-5-4-6-27(39-16-18(2)22(15-28(39)40)29-24(34)10-9-23(33)30(29)35)26-13-19(11-12-36-26)21-8-7-20(37-32(42)43-3)14-25(21)38-31(17)41/h7-15,17-18,27H,4-6,16H2,1-3H3,(H,37,42)(H,38,41)/t17-,18?,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				J Med Chem 51: 487-501 (2008) BindingDB Entry DOI: 10.7270/Q2R78HKQ
					More data for this Ligand-Target Pair
Coagulation factor XI (Homo sapiens (Human))	BDBM241441 (US9409908, 177 | US9409908, 178 | US9409908, 73 | ...) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CC(C)C(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:23| Show InChI InChI=1S/C32H31ClF2N4O4/c1-17-5-4-6-27(39-16-18(2)22(15-28(39)40)29-24(34)10-9-23(33)30(29)35)26-13-19(11-12-36-26)21-8-7-20(37-32(42)43-3)14-25(21)38-31(17)41/h7-15,17-18,27H,4-6,16H2,1-3H3,(H,37,42)(H,38,41)/t17-,18?,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				J Med Chem 51: 487-501 (2008) BindingDB Entry DOI: 10.7270/Q2R78HKQ
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM241441 (US9409908, 177 | US9409908, 178 | US9409908, 73 | ...) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CC(C)C(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:23| Show InChI InChI=1S/C32H31ClF2N4O4/c1-17-5-4-6-27(39-16-18(2)22(15-28(39)40)29-24(34)10-9-23(33)30(29)35)26-13-19(11-12-36-26)21-8-7-20(37-32(42)43-3)14-25(21)38-31(17)41/h7-15,17-18,27H,4-6,16H2,1-3H3,(H,37,42)(H,38,41)/t17-,18?,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.920	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Bristol-Myers Squibb Company US Patent					Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM241441 (US9409908, 177 | US9409908, 178 | US9409908, 73 | ...) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CC(C)C(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:23| Show InChI InChI=1S/C32H31ClF2N4O4/c1-17-5-4-6-27(39-16-18(2)22(15-28(39)40)29-24(34)10-9-23(33)30(29)35)26-13-19(11-12-36-26)21-8-7-20(37-32(42)43-3)14-25(21)38-31(17)41/h7-15,17-18,27H,4-6,16H2,1-3H3,(H,37,42)(H,38,41)/t17-,18?,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.02	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl					Assay Description Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...				J Med Chem 51: 487-501 (2008) BindingDB Entry DOI: 10.7270/Q2R78HKQ
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM241441 (US9409908, 177 | US9409908, 178 | US9409908, 73 | ...) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CC(C)C(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:23| Show InChI InChI=1S/C32H31ClF2N4O4/c1-17-5-4-6-27(39-16-18(2)22(15-28(39)40)29-24(34)10-9-23(33)30(29)35)26-13-19(11-12-36-26)21-8-7-20(37-32(42)43-3)14-25(21)38-31(17)41/h7-15,17-18,27H,4-6,16H2,1-3H3,(H,37,42)(H,38,41)/t17-,18?,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.02	-11.9	n/a	n/a	n/a	n/a	n/a	n/a	37
Bristol-Myers Squibb Company US Patent					Assay Description Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM241441 (US9409908, 177 | US9409908, 178 | US9409908, 73 | ...) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CC(C)C(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:23| Show InChI InChI=1S/C32H31ClF2N4O4/c1-17-5-4-6-27(39-16-18(2)22(15-28(39)40)29-24(34)10-9-23(33)30(29)35)26-13-19(11-12-36-26)21-8-7-20(37-32(42)43-3)14-25(21)38-31(17)41/h7-15,17-18,27H,4-6,16H2,1-3H3,(H,37,42)(H,38,41)/t17-,18?,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl					Assay Description Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...				J Med Chem 51: 487-501 (2008) BindingDB Entry DOI: 10.7270/Q2R78HKQ
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM241441 (US9409908, 177 | US9409908, 178 | US9409908, 73 | ...) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CC(C)C(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:23| Show InChI InChI=1S/C32H31ClF2N4O4/c1-17-5-4-6-27(39-16-18(2)22(15-28(39)40)29-24(34)10-9-23(33)30(29)35)26-13-19(11-12-36-26)21-8-7-20(37-32(42)43-3)14-25(21)38-31(17)41/h7-15,17-18,27H,4-6,16H2,1-3H3,(H,37,42)(H,38,41)/t17-,18?,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.68	-11.7	n/a	n/a	n/a	n/a	n/a	n/a	37
Bristol-Myers Squibb Company US Patent					Assay Description Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM241441 (US9409908, 177 | US9409908, 178 | US9409908, 73 | ...) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CC(C)C(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:23| Show InChI InChI=1S/C32H31ClF2N4O4/c1-17-5-4-6-27(39-16-18(2)22(15-28(39)40)29-24(34)10-9-23(33)30(29)35)26-13-19(11-12-36-26)21-8-7-20(37-32(42)43-3)14-25(21)38-31(17)41/h7-15,17-18,27H,4-6,16H2,1-3H3,(H,37,42)(H,38,41)/t17-,18?,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	-11.7	n/a	n/a	n/a	n/a	n/a	n/a	37
Bristol-Myers Squibb Company US Patent					Assay Description Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...				US Patent US9409908 (2016) BindingDB Entry DOI: 10.7270/Q27943K8
					More data for this Ligand-Target Pair
Plasma kallikrein (Homo sapiens (Human))	BDBM241441 (US9409908, 177 | US9409908, 178 | US9409908, 73 | ...) Show SMILES COC(=O)Nc1ccc-2c(NC(=O)[C@H](C)CCC[C@H](N3CC(C)C(=CC3=O)c3c(F)ccc(Cl)c3F)c3cc-2ccn3)c1 |r,c:23| Show InChI InChI=1S/C32H31ClF2N4O4/c1-17-5-4-6-27(39-16-18(2)22(15-28(39)40)29-24(34)10-9-23(33)30(29)35)26-13-19(11-12-36-26)21-8-7-20(37-32(42)43-3)14-25(21)38-31(17)41/h7-15,17-18,27H,4-6,16H2,1-3H3,(H,37,42)(H,38,41)/t17-,18?,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl					Assay Description Plasma kallikrein determinations were made in 0.1 M sodium phosphate buffer at a pH of 7.5 containing 0.1-0.2 M sodium chloride and 0.5% PEG 8000. De...				J Med Chem 51: 487-501 (2008) BindingDB Entry DOI: 10.7270/Q2R78HKQ
					More data for this Ligand-Target Pair