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BDBM50195910 CHEMBL241051::N-((5-(4-isopropylpiperazin-1-yl)-2,4,6-trioxo-hexahydropyrimidin-5-yl)methyl)-4-((2-methylquinolin-4-yl)methoxy)benzamide

SMILES: CC(C)N1CCN(CC1)C1(CNC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(=O)NC(=O)NC1=O

InChI Key: InChIKey=NIJRSBKAMIDLFF-UHFFFAOYSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50195910   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Collagenase


(Homo sapiens (Human))
BDBM50195910
PNG
(CHEMBL241051 | N-((5-(4-isopropylpiperazin-1-yl)-2...)
Show SMILES CC(C)N1CCN(CC1)C1(CNC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C30H34N6O5/c1-19(2)35-12-14-36(15-13-35)30(27(38)33-29(40)34-28(30)39)18-31-26(37)21-8-10-23(11-9-21)41-17-22-16-20(3)32-25-7-5-4-6-24(22)25/h4-11,16,19H,12-15,17-18H2,1-3H3,(H,31,37)(H2,33,34,38,39,40)
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>3.33E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP2


Bioorg Med Chem Lett 17: 266-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.048
BindingDB Entry DOI: 10.7270/Q2NK3DPF
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50195910
PNG
(CHEMBL241051 | N-((5-(4-isopropylpiperazin-1-yl)-2...)
Show SMILES CC(C)N1CCN(CC1)C1(CNC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C30H34N6O5/c1-19(2)35-12-14-36(15-13-35)30(27(38)33-29(40)34-28(30)39)18-31-26(37)21-8-10-23(11-9-21)41-17-22-16-20(3)32-25-7-5-4-6-24(22)25/h4-11,16,19H,12-15,17-18H2,1-3H3,(H,31,37)(H2,33,34,38,39,40)
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>4.50E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP3


Bioorg Med Chem Lett 17: 266-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.048
BindingDB Entry DOI: 10.7270/Q2NK3DPF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-12 (MMP12)


(Homo sapiens (Human))
BDBM50195910
PNG
(CHEMBL241051 | N-((5-(4-isopropylpiperazin-1-yl)-2...)
Show SMILES CC(C)N1CCN(CC1)C1(CNC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C30H34N6O5/c1-19(2)35-12-14-36(15-13-35)30(27(38)33-29(40)34-28(30)39)18-31-26(37)21-8-10-23(11-9-21)41-17-22-16-20(3)32-25-7-5-4-6-24(22)25/h4-11,16,19H,12-15,17-18H2,1-3H3,(H,31,37)(H2,33,34,38,39,40)
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>6.02E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP12


Bioorg Med Chem Lett 17: 266-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.048
BindingDB Entry DOI: 10.7270/Q2NK3DPF
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50195910
PNG
(CHEMBL241051 | N-((5-(4-isopropylpiperazin-1-yl)-2...)
Show SMILES CC(C)N1CCN(CC1)C1(CNC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C30H34N6O5/c1-19(2)35-12-14-36(15-13-35)30(27(38)33-29(40)34-28(30)39)18-31-26(37)21-8-10-23(11-9-21)41-17-22-16-20(3)32-25-7-5-4-6-24(22)25/h4-11,16,19H,12-15,17-18H2,1-3H3,(H,31,37)(H2,33,34,38,39,40)
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>6.37E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of MMP7


Bioorg Med Chem Lett 17: 266-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.048
BindingDB Entry DOI: 10.7270/Q2NK3DPF
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM50195910
PNG
(CHEMBL241051 | N-((5-(4-isopropylpiperazin-1-yl)-2...)
Show SMILES CC(C)N1CCN(CC1)C1(CNC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C30H34N6O5/c1-19(2)35-12-14-36(15-13-35)30(27(38)33-29(40)34-28(30)39)18-31-26(37)21-8-10-23(11-9-21)41-17-22-16-20(3)32-25-7-5-4-6-24(22)25/h4-11,16,19H,12-15,17-18H2,1-3H3,(H,31,37)(H2,33,34,38,39,40)
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of porcine TACE


Bioorg Med Chem Lett 17: 266-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.09.048
BindingDB Entry DOI: 10.7270/Q2NK3DPF
More data for this
Ligand-Target Pair