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BDBM107190 US8592426, 116::US8592426, 117::US8592426, 39/40/41

InChI string: InChI=1S/C26H21ClFN7O3/c1-13-32-23(35-38-13)21-18(9-17(27)10-19(21)28)16-8-14-2-3-20(22(14)29-11-16)33-25(37)26(5-6-26)34-24(36)15-4-7-30-31-12-15/h4,7-12,20H,2-3,5-6H2,1H3,(H,33,37)(H,34,36)

SMILES: Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1cnc2C(CCc2c1)NC(=O)C1(CC1)NC(=O)c1ccnnc1

InChI Key: InChIKey=VKQZQIDNZZTHCQ-UHFFFAOYSA-N

Data: 3 KI  3 IC50

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 6 hits for monomerid = 107190   
Target
(Institution)
LigandTarget
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
pHTemp
°C
Bradykinin-1 Receptor


(Homo sapiens (Human))
BDBM107190
PNG
(US8592426, 116 | US8592426, 117 | US8592426, 39/40...)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1cnc2C(CCc2c1)NC(=O)C1(CC1)NC(=O)c1ccnnc1
Show InChI InChI=1S/C26H21ClFN7O3/c1-13-32-23(35-38-13)21-18(9-17(27)10-19(21)28)16-8-14-2-3-20(22(14)29-11-16)33-25(37)26(5-6-26)34-24(36)15-4-7-30-31-12-15/h4,7-12,20H,2-3,5-6H2,1H3,(H,33,37)(H,34,36)
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US Patent
4n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)

More data for this
Ligand-Target Pair
Bradykinin-1 Receptor


(Homo sapiens (Human))
BDBM107190
PNG
(US8592426, 116 | US8592426, 117 | US8592426, 39/40...)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1cnc2C(CCc2c1)NC(=O)C1(CC1)NC(=O)c1ccnnc1
Show InChI InChI=1S/C26H21ClFN7O3/c1-13-32-23(35-38-13)21-18(9-17(27)10-19(21)28)16-8-14-2-3-20(22(14)29-11-16)33-25(37)26(5-6-26)34-24(36)15-4-7-30-31-12-15/h4,7-12,20H,2-3,5-6H2,1H3,(H,33,37)(H,34,36)
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US Patent
7.5n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)

More data for this
Ligand-Target Pair
Bradykinin-1 Receptor


(Homo sapiens (Human))
BDBM107190
PNG
(US8592426, 116 | US8592426, 117 | US8592426, 39/40...)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1cnc2C(CCc2c1)NC(=O)C1(CC1)NC(=O)c1ccnnc1
Show InChI InChI=1S/C26H21ClFN7O3/c1-13-32-23(35-38-13)21-18(9-17(27)10-19(21)28)16-8-14-2-3-20(22(14)29-11-16)33-25(37)26(5-6-26)34-24(36)15-4-7-30-31-12-15/h4,7-12,20H,2-3,5-6H2,1H3,(H,33,37)(H,34,36)
Reactome pathway
KEGG

UniProtKB/SwissProt

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US Patent
130n/an/an/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Binding assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)

More data for this
Ligand-Target Pair
Bradykinin-1 Receptor


(Homo sapiens (Human))
BDBM107190
PNG
(US8592426, 116 | US8592426, 117 | US8592426, 39/40...)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1cnc2C(CCc2c1)NC(=O)C1(CC1)NC(=O)c1ccnnc1
Show InChI InChI=1S/C26H21ClFN7O3/c1-13-32-23(35-38-13)21-18(9-17(27)10-19(21)28)16-8-14-2-3-20(22(14)29-11-16)33-25(37)26(5-6-26)34-24(36)15-4-7-30-31-12-15/h4,7-12,20H,2-3,5-6H2,1H3,(H,33,37)(H,34,36)
Reactome pathway
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UniProtKB/SwissProt

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US Patent
n/an/a 0.200n/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Calcium mobilization assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)

More data for this
Ligand-Target Pair
Bradykinin-1 Receptor


(Homo sapiens (Human))
BDBM107190
PNG
(US8592426, 116 | US8592426, 117 | US8592426, 39/40...)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1cnc2C(CCc2c1)NC(=O)C1(CC1)NC(=O)c1ccnnc1
Show InChI InChI=1S/C26H21ClFN7O3/c1-13-32-23(35-38-13)21-18(9-17(27)10-19(21)28)16-8-14-2-3-20(22(14)29-11-16)33-25(37)26(5-6-26)34-24(36)15-4-7-30-31-12-15/h4,7-12,20H,2-3,5-6H2,1H3,(H,33,37)(H,34,36)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 0.600n/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Calcium mobilization assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)

More data for this
Ligand-Target Pair
Bradykinin-1 Receptor


(Homo sapiens (Human))
BDBM107190
PNG
(US8592426, 116 | US8592426, 117 | US8592426, 39/40...)
Show SMILES Cc1nc(no1)-c1c(F)cc(Cl)cc1-c1cnc2C(CCc2c1)NC(=O)C1(CC1)NC(=O)c1ccnnc1
Show InChI InChI=1S/C26H21ClFN7O3/c1-13-32-23(35-38-13)21-18(9-17(27)10-19(21)28)16-8-14-2-3-20(22(14)29-11-16)33-25(37)26(5-6-26)34-24(36)15-4-7-30-31-12-15/h4,7-12,20H,2-3,5-6H2,1H3,(H,33,37)(H,34,36)
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
US Patent
n/an/a 35.2n/an/an/an/an/an/a



Hoffmann—La Roche Inc.

US Patent


Assay Description
Calcium mobilization assay using Bradykinin-1 receptor.


US Patent US8592426 (2013)

More data for this
Ligand-Target Pair