BDBM241454 US9409908, 86::US9951071, Example 86

SMILES: C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2cc3CCC(=O)Nc3cc2NC1=O

InChI Key: InChIKey=BPYVSZXRXGLXFP-CRYYWNKWSA-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 = 241454   

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 XI (Homo sapiens (Human))	BDBM241454 (US9409908, 86 | US9951071, Example 86) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2cc3CCC(=O)Nc3cc2NC1=O |r,c:9| Show InChI InChI=1S/C32H29ClF2N4O3/c1-17-3-2-4-27(39-12-10-20(15-29(39)41)30-23(34)7-6-22(33)31(30)35)26-14-18(9-11-36-26)21-13-19-5-8-28(40)37-24(19)16-25(21)38-32(17)42/h6-7,9,11,13-17,27H,2-5,8,10,12H2,1H3,(H,37,40)(H,38,42)/t17-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.720	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))	BDBM241454 (US9409908, 86 | US9951071, Example 86) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2cc3CCC(=O)Nc3cc2NC1=O |r,c:9| Show InChI InChI=1S/C32H29ClF2N4O3/c1-17-3-2-4-27(39-12-10-20(15-29(39)41)30-23(34)7-6-22(33)31(30)35)26-14-18(9-11-36-26)21-13-19-5-8-28(40)37-24(19)16-25(21)38-32(17)42/h6-7,9,11,13-17,27H,2-5,8,10,12H2,1H3,(H,37,40)(H,38,42)/t17-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.720	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))	BDBM241454 (US9409908, 86 | US9951071, Example 86) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2cc3CCC(=O)Nc3cc2NC1=O |r,c:9| Show InChI InChI=1S/C32H29ClF2N4O3/c1-17-3-2-4-27(39-12-10-20(15-29(39)41)30-23(34)7-6-22(33)31(30)35)26-14-18(9-11-36-26)21-13-19-5-8-28(40)37-24(19)16-25(21)38-32(17)42/h6-7,9,11,13-17,27H,2-5,8,10,12H2,1H3,(H,37,40)(H,38,42)/t17-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	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))	BDBM241454 (US9409908, 86 | US9951071, Example 86) Show SMILES C[C@@H]1CCC[C@H](N2CCC(=CC2=O)c2c(F)ccc(Cl)c2F)c2cc(ccn2)-c2cc3CCC(=O)Nc3cc2NC1=O |r,c:9| Show InChI InChI=1S/C32H29ClF2N4O3/c1-17-3-2-4-27(39-12-10-20(15-29(39)41)30-23(34)7-6-22(33)31(30)35)26-14-18(9-11-36-26)21-13-19-5-8-28(40)37-24(19)16-25(21)38-32(17)42/h6-7,9,11,13-17,27H,2-5,8,10,12H2,1H3,(H,37,40)(H,38,42)/t17-,27+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	-12.8	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