BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 354 hits with Last Name = 'matsui' and Initial = 'y'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50314948
PNG
((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...)
Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cccc2ccccc12 |r,t:9|
Show InChI InChI=1S/C28H23NO7/c1-14(30)22-18(31)12-21-28(2,26(22)33)24-19(32)11-20(35-3)23(25(24)36-21)27(34)29-13-16-9-6-8-15-7-4-5-10-17(15)16/h4-12,22,32H,13H2,1-3H3,(H,29,34)/t22?,28-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
82n/an/an/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to PPARgamma


Bioorg Med Chem Lett 20: 2095-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.073
BindingDB Entry DOI: 10.7270/Q2RX9D21
More data for this
Ligand-Target Pair
Gag-Pro polyprotein


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50155805
PNG
(CHEMBL415620 | H-Pro-Gln-Val-Apns-Dmt-Val-Met-His-...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H]1N(CSC1(C)C)C(=O)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C47H71N11O11S2/c1-25(2)35(56-41(63)30(15-16-34(48)59)52-39(61)29-14-11-18-50-29)43(65)54-32(20-27-12-9-8-10-13-27)37(60)45(67)58-24-71-47(5,6)38(58)44(66)57-36(26(3)4)42(64)53-31(17-19-70-7)40(62)55-33(46(68)69)21-28-22-49-23-51-28/h8-10,12-13,22-23,25-26,29-33,35-38,50,60H,11,14-21,24H2,1-7H3,(H2,48,59)(H,49,51)(H,52,61)(H,53,64)(H,54,65)(H,55,62)(H,56,63)(H,57,66)(H,68,69)/t29-,30-,31-,32-,33-,35-,36-,37?,38+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.00E+3n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory binding affinity towards synthesized human T-cell leukemia virus type I (HTLV-1) protease


Bioorg Med Chem Lett 14: 5925-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.034
BindingDB Entry DOI: 10.7270/Q2CC11GW
More data for this
Ligand-Target Pair
Gag-Pro polyprotein


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM50155805
PNG
(CHEMBL415620 | H-Pro-Gln-Val-Apns-Dmt-Val-Met-His-...)
Show SMILES CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H]1N(CSC1(C)C)C(=O)C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1)C(C)C)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(O)=O
Show InChI InChI=1S/C47H71N11O11S2/c1-25(2)35(56-41(63)30(15-16-34(48)59)52-39(61)29-14-11-18-50-29)43(65)54-32(20-27-12-9-8-10-13-27)37(60)45(67)58-24-71-47(5,6)38(58)44(66)57-36(26(3)4)42(64)53-31(17-19-70-7)40(62)55-33(46(68)69)21-28-22-49-23-51-28/h8-10,12-13,22-23,25-26,29-33,35-38,50,60H,11,14-21,24H2,1-7H3,(H2,48,59)(H,49,51)(H,52,61)(H,53,64)(H,54,65)(H,55,62)(H,56,63)(H,57,66)(H,68,69)/t29-,30-,31-,32-,33-,35-,36-,37?,38+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.90E+3n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory binding affinity towards recombinant human T-cell leukemia virus type I (HTLV-1) protease


Bioorg Med Chem Lett 14: 5925-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.034
BindingDB Entry DOI: 10.7270/Q2CC11GW
More data for this
Ligand-Target Pair
Gag-Pro polyprotein


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM912
PNG
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r|
Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
1.46E+4n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory binding affinity towards recombinant human T-cell leukemia virus type I (HTLV-1) protease


Bioorg Med Chem Lett 14: 5925-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.034
BindingDB Entry DOI: 10.7270/Q2CC11GW
More data for this
Ligand-Target Pair
Gag-Pro polyprotein


(Human T-cell leukemia virus 1 (strain Japan ATK-1 ...)
BDBM912
PNG
((3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-m...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(O)=O |r|
Show InChI InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
3.65E+4n/an/an/an/an/an/an/an/a



Kyoto Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibitory binding affinity towards synthesized human T-cell leukemia virus type I (HTLV-1) protease


Bioorg Med Chem Lett 14: 5925-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.034
BindingDB Entry DOI: 10.7270/Q2CC11GW
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50392953
PNG
(CHEMBL2152353)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NC1C2CC3CC1CC(O)(C3)C2 |r,wU:4.4,2.2,wD:6.6,TLB:38:35:28.29.30:32,36:35:28:30.31.32,27:28:34.38.35:30.31.32,27:28:32:34.35.37,THB:38:29:32:34.35.37,37:35:28:30.31.32,37:31:28:34.38.35,(13.51,-6.54,;12.17,-7.31,;12.17,-8.85,;10.84,-9.62,;9.51,-8.85,;9.51,-7.31,;8.17,-9.62,;6.84,-8.85,;8.17,-11.16,;6.84,-11.93,;5.5,-11.17,;4.16,-11.94,;2.83,-11.17,;4.18,-13.47,;5.51,-14.24,;6.84,-13.48,;7.61,-14.81,;8.38,-13.48,;2.85,-14.25,;1.51,-13.49,;.18,-14.26,;.18,-15.8,;1.52,-16.57,;2.85,-15.8,;4.19,-16.57,;13.51,-9.62,;13.51,-11.16,;14.84,-8.86,;16.17,-9.63,;17.67,-9.21,;17.67,-7.62,;18.71,-6.39,;17.36,-6.87,;17.37,-8.35,;18.7,-8.84,;20.09,-8.5,;21.42,-9.26,;20.1,-6.97,;19.08,-9.77,)|
Show InChI InChI=1S/C30H45ClN4O4/c1-4-19(28(38)33-27-20-9-18-10-21(27)14-30(39,12-18)13-20)11-25(36)23(32)15-34-16-26(37)35(17-29(34,2)3)24-8-6-5-7-22(24)31/h5-8,18-21,23,25,27,36,39H,4,9-17,32H2,1-3H3,(H,33,38)/t18?,19-,20?,21?,23+,25+,27?,30?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin compound treated for 10 mins before substrate addition measured after 90 mins by fluorescence method


ACS Med Chem Lett 3: 754-758 (2012)


Article DOI: 10.1021/ml300168e
BindingDB Entry DOI: 10.7270/Q29S1S41
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50402219
PNG
(CHEMBL2204732)
Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl |r|
Show InChI InChI=1S/C26H41ClN4O3/c1-6-34-16-20(11-18(2)3)29-25(33)19-12-21(14-28-13-19)31-15-24(32)30(17-26(31,4)5)23-10-8-7-9-22(23)27/h7-10,18-21,28H,6,11-17H2,1-5H3,(H,29,33)/t19-,20+,21+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.30n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg as substrate incubated for 10 mins...


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)
BDBM50402219
PNG
(CHEMBL2204732)
Show SMILES CCOC[C@@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl |r|
Show InChI InChI=1S/C26H41ClN4O3/c1-6-34-16-20(11-18(2)3)29-25(33)19-12-21(14-28-13-19)31-15-24(32)30(17-26(31,4)5)23-10-8-7-9-22(23)27/h7-10,18-21,28H,6,11-17H2,1-5H3,(H,29,33)/t19-,20+,21+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma after 60 mins by competitive radioimmunoassay


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM17950
PNG
((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
MMDB
PDB
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant renin compound treated for 10 mins before substrate addition measured after 90 mins by fluorescence method


ACS Med Chem Lett 3: 754-758 (2012)


Article DOI: 10.1021/ml300168e
BindingDB Entry DOI: 10.7270/Q29S1S41
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))
BDBM50402224
PNG
(CHEMBL2204739)
Show SMILES CC(C)CC(CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl |r|
Show InChI InChI=1S/C27H43ClN4O2/c1-18(2)11-21(12-19(3)4)30-26(34)20-13-22(15-29-14-20)32-16-25(33)31(17-27(32,5)6)24-10-8-7-9-23(24)28/h7-10,18-22,29H,11-17H2,1-6H3,(H,30,34)/t20-,22+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 1.60n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg as substrate incubated for 10 mins...


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))
BDBM50392953
PNG
(CHEMBL2152353)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NC1C2CC3CC1CC(O)(C3)C2 |r,wU:4.4,2.2,wD:6.6,TLB:38:35:28.29.30:32,36:35:28:30.31.32,27:28:34.38.35:30.31.32,27:28:32:34.35.37,THB:38:29:32:34.35.37,37:35:28:30.31.32,37:31:28:34.38.35,(13.51,-6.54,;12.17,-7.31,;12.17,-8.85,;10.84,-9.62,;9.51,-8.85,;9.51,-7.31,;8.17,-9.62,;6.84,-8.85,;8.17,-11.16,;6.84,-11.93,;5.5,-11.17,;4.16,-11.94,;2.83,-11.17,;4.18,-13.47,;5.51,-14.24,;6.84,-13.48,;7.61,-14.81,;8.38,-13.48,;2.85,-14.25,;1.51,-13.49,;.18,-14.26,;.18,-15.8,;1.52,-16.57,;2.85,-15.8,;4.19,-16.57,;13.51,-9.62,;13.51,-11.16,;14.84,-8.86,;16.17,-9.63,;17.67,-9.21,;17.67,-7.62,;18.71,-6.39,;17.36,-6.87,;17.37,-8.35,;18.7,-8.84,;20.09,-8.5,;21.42,-9.26,;20.1,-6.97,;19.08,-9.77,)|
Show InChI InChI=1S/C30H45ClN4O4/c1-4-19(28(38)33-27-20-9-18-10-21(27)14-30(39,12-18)13-20)11-25(36)23(32)15-34-16-26(37)35(17-29(34,2)3)24-8-6-5-7-22(24)31/h5-8,18-21,23,25,27,36,39H,4,9-17,32H2,1-3H3,(H,33,38)/t18?,19-,20?,21?,23+,25+,27?,30?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin activity after 60 mins by competitive RIA


ACS Med Chem Lett 3: 754-758 (2012)


Article DOI: 10.1021/ml300168e
BindingDB Entry DOI: 10.7270/Q29S1S41
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50402221
PNG
(CHEMBL2204017)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C29H39ClN4O2/c1-20(2)14-25(21-10-6-5-7-11-21)32-28(36)22-15-23(17-31-16-22)34-18-27(35)33(19-29(34,3)4)26-13-9-8-12-24(26)30/h5-13,20,22-23,25,31H,14-19H2,1-4H3,(H,32,36)/t22-,23+,25+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg as substrate incubated for 10 mins...


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50402217
PNG
(CHEMBL2204734)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1cccnc1 |r|
Show InChI InChI=1S/C28H38ClN5O2/c1-19(2)12-24(20-8-7-11-30-14-20)32-27(36)21-13-22(16-31-15-21)34-17-26(35)33(18-28(34,3)4)25-10-6-5-9-23(25)29/h5-11,14,19,21-22,24,31H,12-13,15-18H2,1-4H3,(H,32,36)/t21-,22+,24+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg as substrate incubated for 10 mins...


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50402223
PNG
(CHEMBL2204740)
Show SMILES CC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C27H35ClN4O2/c1-4-23(19-10-6-5-7-11-19)30-26(34)20-14-21(16-29-15-20)32-17-25(33)31(18-27(32,2)3)24-13-9-8-12-22(24)28/h5-13,20-21,23,29H,4,14-18H2,1-3H3,(H,30,34)/t20-,21+,23+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.10n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg as substrate incubated for 10 mins...


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50402220
PNG
(CHEMBL2204018)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(O)C(C)C |r|
Show InChI InChI=1S/C27H43ClN4O3/c1-17(2)11-22(25(34)18(3)4)30-26(35)19-12-20(14-29-13-19)32-15-24(33)31(16-27(32,5)6)23-10-8-7-9-21(23)28/h7-10,17-20,22,25,29,34H,11-16H2,1-6H3,(H,30,35)/t19-,20+,22+,25?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg as substrate incubated for 10 mins...


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50402222
PNG
(CHEMBL2204741)
Show SMILES CCC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C28H37ClN4O2/c1-4-10-24(20-11-6-5-7-12-20)31-27(35)21-15-22(17-30-16-21)33-18-26(34)32(19-28(33,2)3)25-14-9-8-13-23(25)29/h5-9,11-14,21-22,24,30H,4,10,15-19H2,1-3H3,(H,31,35)/t21-,22+,24+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg as substrate incubated for 10 mins...


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50402220
PNG
(CHEMBL2204018)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(O)C(C)C |r|
Show InChI InChI=1S/C27H43ClN4O3/c1-17(2)11-22(25(34)18(3)4)30-26(35)19-12-20(14-29-13-19)32-15-24(33)31(16-27(32,5)6)23-10-8-7-9-21(23)28/h7-10,17-20,22,25,29,34H,11-16H2,1-6H3,(H,30,35)/t19-,20+,22+,25?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg as substrate incubated for 10 mins...


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50402225
PNG
(CHEMBL2204738)
Show SMILES CC[C@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl |r|
Show InChI InChI=1S/C25H39ClN4O2/c1-6-19(11-17(2)3)28-24(32)18-12-20(14-27-13-18)30-15-23(31)29(16-25(30,4)5)22-10-8-7-9-21(22)26/h7-10,17-20,27H,6,11-16H2,1-5H3,(H,28,32)/t18-,19+,20+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg as substrate incubated for 10 mins...


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM17950
PNG
((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

DrugBank
MMDB
PDB
Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human plasma renin activity after 60 mins by competitive RIA


ACS Med Chem Lett 3: 754-758 (2012)


Article DOI: 10.1021/ml300168e
BindingDB Entry DOI: 10.7270/Q29S1S41
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Macaca fascicularis)
BDBM50402217
PNG
(CHEMBL2204734)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1cccnc1 |r|
Show InChI InChI=1S/C28H38ClN5O2/c1-19(2)12-24(20-8-7-11-30-14-20)32-27(36)21-13-22(16-31-15-21)34-17-26(35)33(18-28(34,3)4)25-10-6-5-9-23(25)29/h5-11,14,19,21-22,24,31H,12-13,15-18H2,1-4H3,(H,32,36)/t21-,22+,24+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma after 60 mins by competitive radioimmunoassay


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)
BDBM50392953
PNG
(CHEMBL2152353)
Show SMILES CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)NC1C2CC3CC1CC(O)(C3)C2 |r,wU:4.4,2.2,wD:6.6,TLB:38:35:28.29.30:32,36:35:28:30.31.32,27:28:34.38.35:30.31.32,27:28:32:34.35.37,THB:38:29:32:34.35.37,37:35:28:30.31.32,37:31:28:34.38.35,(13.51,-6.54,;12.17,-7.31,;12.17,-8.85,;10.84,-9.62,;9.51,-8.85,;9.51,-7.31,;8.17,-9.62,;6.84,-8.85,;8.17,-11.16,;6.84,-11.93,;5.5,-11.17,;4.16,-11.94,;2.83,-11.17,;4.18,-13.47,;5.51,-14.24,;6.84,-13.48,;7.61,-14.81,;8.38,-13.48,;2.85,-14.25,;1.51,-13.49,;.18,-14.26,;.18,-15.8,;1.52,-16.57,;2.85,-15.8,;4.19,-16.57,;13.51,-9.62,;13.51,-11.16,;14.84,-8.86,;16.17,-9.63,;17.67,-9.21,;17.67,-7.62,;18.71,-6.39,;17.36,-6.87,;17.37,-8.35,;18.7,-8.84,;20.09,-8.5,;21.42,-9.26,;20.1,-6.97,;19.08,-9.77,)|
Show InChI InChI=1S/C30H45ClN4O4/c1-4-19(28(38)33-27-20-9-18-10-21(27)14-30(39,12-18)13-20)11-25(36)23(32)15-34-16-26(37)35(17-29(34,2)3)24-8-6-5-7-22(24)31/h5-8,18-21,23,25,27,36,39H,4,9-17,32H2,1-3H3,(H,33,38)/t18?,19-,20?,21?,23+,25+,27?,30?/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin activity after 60 mins by competitive RIA


ACS Med Chem Lett 3: 754-758 (2012)


Article DOI: 10.1021/ml300168e
BindingDB Entry DOI: 10.7270/Q29S1S41
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)
BDBM50402223
PNG
(CHEMBL2204740)
Show SMILES CC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C27H35ClN4O2/c1-4-23(19-10-6-5-7-11-19)30-26(34)20-14-21(16-29-15-20)32-17-25(33)31(18-27(32,2)3)24-13-9-8-12-22(24)28/h5-13,20-21,23,29H,4,14-18H2,1-3H3,(H,30,34)/t20-,21+,23+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.60n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma after 60 mins by competitive radioimmunoassay


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)
BDBM50402220
PNG
(CHEMBL2204018)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(O)C(C)C |r|
Show InChI InChI=1S/C27H43ClN4O3/c1-17(2)11-22(25(34)18(3)4)30-26(35)19-12-20(14-29-13-19)32-15-24(33)31(16-27(32,5)6)23-10-8-7-9-21(23)28/h7-10,17-20,22,25,29,34H,11-16H2,1-6H3,(H,30,35)/t19-,20+,22+,25?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma after 60 mins by competitive radioimmunoassay


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)
BDBM50402220
PNG
(CHEMBL2204018)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(O)C(C)C |r|
Show InChI InChI=1S/C27H43ClN4O3/c1-17(2)11-22(25(34)18(3)4)30-26(35)19-12-20(14-29-13-19)32-15-24(33)31(16-27(32,5)6)23-10-8-7-9-21(23)28/h7-10,17-20,22,25,29,34H,11-16H2,1-6H3,(H,30,35)/t19-,20+,22+,25?/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma after 60 mins by competitive radioimmunoassay


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
Renin


(Homo sapiens (Human))
BDBM50402226
PNG
(CHEMBL2204737)
Show SMILES CC(C)CCNC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl |r|
Show InChI InChI=1S/C23H35ClN4O2/c1-16(2)9-10-26-22(30)17-11-18(13-25-12-17)28-14-21(29)27(15-23(28,3)4)20-8-6-5-7-19(20)24/h5-8,16-18,25H,9-15H2,1-4H3,(H,26,30)/t17-,18+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg as substrate incubated for 10 mins...


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Macaca fascicularis)
BDBM17950
PNG
((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...)
Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r|
Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

MMDB
PDB
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of cynomolgus monkey plasma renin activity after 60 mins by competitive RIA


ACS Med Chem Lett 3: 754-758 (2012)


Article DOI: 10.1021/ml300168e
BindingDB Entry DOI: 10.7270/Q29S1S41
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))
BDBM50402218
PNG
(CHEMBL2204733)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)N(C)C |r|
Show InChI InChI=1S/C26H40ClN5O3/c1-17(2)11-21(25(35)30(5)6)29-24(34)18-12-19(14-28-13-18)32-15-23(33)31(16-26(32,3)4)22-10-8-7-9-20(22)27/h7-10,17-19,21,28H,11-16H2,1-6H3,(H,29,34)/t18-,19+,21+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.40n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg as substrate incubated for 10 mins...


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)
BDBM50402221
PNG
(CHEMBL2204017)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C29H39ClN4O2/c1-20(2)14-25(21-10-6-5-7-11-21)32-28(36)22-15-23(17-31-16-22)34-18-27(35)33(19-29(34,3)4)26-13-9-8-12-24(26)30/h5-13,20,22-23,25,31H,14-19H2,1-4H3,(H,32,36)/t22-,23+,25+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma after 60 mins by competitive radioimmunoassay


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)
BDBM50402224
PNG
(CHEMBL2204739)
Show SMILES CC(C)CC(CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl |r|
Show InChI InChI=1S/C27H43ClN4O2/c1-18(2)11-21(12-19(3)4)30-26(34)20-13-22(15-29-14-20)32-16-25(33)31(17-27(32,5)6)24-10-8-7-9-23(24)28/h7-10,18-22,29H,11-17H2,1-6H3,(H,30,34)/t20-,22+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma after 60 mins by competitive radioimmunoassay


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Macaca fascicularis)
BDBM50402225
PNG
(CHEMBL2204738)
Show SMILES CC[C@H](CC(C)C)NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl |r|
Show InChI InChI=1S/C25H39ClN4O2/c1-6-19(11-17(2)3)28-24(32)18-12-20(14-27-13-18)30-15-23(31)29(16-25(30,4)5)22-10-8-7-9-21(22)26/h7-10,17-20,27H,6,11-16H2,1-5H3,(H,28,32)/t18-,19+,20+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma after 60 mins by competitive radioimmunoassay


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)
BDBM50402222
PNG
(CHEMBL2204741)
Show SMILES CCC[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)c1ccccc1 |r|
Show InChI InChI=1S/C28H37ClN4O2/c1-4-10-24(20-11-6-5-7-12-20)31-27(35)21-15-22(17-30-16-21)33-18-26(34)32(19-28(33,2)3)25-14-9-8-13-23(25)29/h5-9,11-14,21-22,24,30H,4,10,15-19H2,1-3H3,(H,31,35)/t21-,22+,24+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma after 60 mins by competitive radioimmunoassay


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)
BDBM50402218
PNG
(CHEMBL2204733)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl)C(=O)N(C)C |r|
Show InChI InChI=1S/C26H40ClN5O3/c1-17(2)11-21(25(35)30(5)6)29-24(34)18-12-19(14-28-13-18)32-15-23(33)31(16-26(32,3)4)22-10-8-7-9-20(22)27/h7-10,17-19,21,28H,11-16H2,1-6H3,(H,29,34)/t18-,19+,21+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma after 60 mins by competitive radioimmunoassay


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)
BDBM50402226
PNG
(CHEMBL2204737)
Show SMILES CC(C)CCNC(=O)[C@@H]1CNC[C@@H](C1)N1CC(=O)N(CC1(C)C)c1ccccc1Cl |r|
Show InChI InChI=1S/C23H35ClN4O2/c1-16(2)9-10-26-22(30)17-11-18(13-25-12-17)28-14-21(29)27(15-23(28,3)4)20-8-6-5-7-19(20)24/h5-8,16-18,25H,9-15H2,1-4H3,(H,26,30)/t17-,18+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 54n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma after 60 mins by competitive radioimmunoassay


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
C-1-tetrahydrofolate synthase, cytoplasmic


(Homo sapiens (Human))
BDBM50535669
PNG
(CHEMBL1233930)
Show SMILES Nc1nc(O)c2N3[C@@H](CN(C3=O)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2n1 |r|
Show InChI InChI=1S/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t11-,12+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 96n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MTHFD1 ( 1 to 306 residues) expressed in Escherichia coli BL21 (DE3) pre-incubated for 10 mins before folitixorin and ...


ACS Med Chem Lett 10: 893-898 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))
BDBM50402227
PNG
(CHEMBL2204736)
Show SMILES CC(C)CCNC(=O)[C@@H]1CNC[C@H](CN2CC(=O)N(CC2(C)C)c2ccccc2Cl)C1 |r|
Show InChI InChI=1S/C24H37ClN4O2/c1-17(2)9-10-27-23(31)19-11-18(12-26-13-19)14-28-15-22(30)29(16-24(28,3)4)21-8-6-5-7-20(21)25/h5-8,17-19,26H,9-16H2,1-4H3,(H,27,31)/t18-,19+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 406n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg as substrate incubated for 10 mins...


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))
BDBM50314948
PNG
((S)-8-Acetyl-6,9-dihydroxy-3-methoxy-6b-methyl-1,7...)
Show SMILES COc1cc(O)c2c(OC3=CC(=O)C(C(C)=O)C(=O)[C@@]23C)c1C(=O)NCc1cccc2ccccc12 |r,t:9|
Show InChI InChI=1S/C28H23NO7/c1-14(30)22-18(31)12-21-28(2,26(22)33)24-19(32)11-20(35-3)23(25(24)36-21)27(34)29-13-16-9-6-8-15-7-4-5-10-17(15)16/h4-12,22,32H,13H2,1-3H3,(H,29,34)/t22?,28-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 620n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PPARgamma assessed as transcriptional activity


Bioorg Med Chem Lett 20: 2095-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.073
BindingDB Entry DOI: 10.7270/Q2RX9D21
More data for this
Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50535669
PNG
(CHEMBL1233930)
Show SMILES Nc1nc(O)c2N3[C@@H](CN(C3=O)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2n1 |r|
Show InChI InChI=1S/C20H21N7O7/c21-19-24-15-14(17(31)25-19)27-11(7-22-15)8-26(20(27)34)10-3-1-9(2-4-10)16(30)23-12(18(32)33)5-6-13(28)29/h1-4,11-12H,5-8H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t11-,12+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 663n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of His-tagged human MTHFD2 ( 36 to 350 residues) expressed in Escherichia coli BL21 (DE3) pre-incubated for 10 mins before folitixorin and...


ACS Med Chem Lett 10: 893-898 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50535650
PNG
(CHEMBL4540255)
Show SMILES OC(=O)c1ccc(cc1Cl)C(=O)N1CCc2nc([nH]c(=O)c2C1)-c1ccccc1
Show InChI InChI=1S/C21H16ClN3O4/c22-16-10-13(6-7-14(16)21(28)29)20(27)25-9-8-17-15(11-25)19(26)24-18(23-17)12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,28,29)(H,23,24,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 940n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTHFD2 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NAD and formaldehyde incuba...


ACS Med Chem Lett 10: 893-898 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)
BDBM50402228
PNG
(CHEMBL2204735)
Show SMILES CC(C)CCNC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N1CC(=O)N(CC1(C)C)c1ccccc1Cl |r|
Show InChI InChI=1S/C24H35ClN4O3/c1-16(2)9-10-27-22(31)17-11-18(13-26-12-17)23(32)29-14-21(30)28(15-24(29,3)4)20-8-6-5-7-19(20)25/h5-8,16-18,26H,9-15H2,1-4H3,(H,27,31)/t17-,18+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma after 60 mins by competitive radioimmunoassay


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
Renin


(Macaca fascicularis)
BDBM50402227
PNG
(CHEMBL2204736)
Show SMILES CC(C)CCNC(=O)[C@@H]1CNC[C@H](CN2CC(=O)N(CC2(C)C)c2ccccc2Cl)C1 |r|
Show InChI InChI=1S/C24H37ClN4O2/c1-17(2)9-10-27-23(31)19-11-18(12-26-13-19)14-28-15-22(30)29(16-24(28,3)4)21-8-6-5-7-20(21)25/h5-8,17-19,26H,9-16H2,1-4H3,(H,27,31)/t18-,19+/m1/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of renin in cynomolgus monkey plasma after 60 mins by competitive radioimmunoassay


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Renin


(Homo sapiens (Human))
BDBM50402228
PNG
(CHEMBL2204735)
Show SMILES CC(C)CCNC(=O)[C@@H]1CNC[C@@H](C1)C(=O)N1CC(=O)N(CC1(C)C)c1ccccc1Cl |r|
Show InChI InChI=1S/C24H35ClN4O3/c1-16(2)9-10-27-22(31)17-11-18(13-26-12-17)23(32)29-14-21(30)28(15-24(29,3)4)20-8-6-5-7-19(20)25/h5-8,16-18,26H,9-15H2,1-4H3,(H,27,31)/t17-,18+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human renin using Arg-Glu(EDANS)-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-Lys(DABCYL)-Arg as substrate incubated for 10 mins...


Bioorg Med Chem Lett 22: 7677-82 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.103
BindingDB Entry DOI: 10.7270/Q2HD7WTK
More data for this
Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50535665
PNG
(CHEMBL4443536)
Show SMILES OC(=O)c1ccc(C(=O)N2CCc3nc([nH]c(=O)c3C2)-c2ccccc2)c2ccccc12
Show InChI InChI=1S/C25H19N3O4/c29-23-20-14-28(13-12-21(20)26-22(27-23)15-6-2-1-3-7-15)24(30)18-10-11-19(25(31)32)17-9-5-4-8-16(17)18/h1-11H,12-14H2,(H,31,32)(H,26,27,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTHFD2 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NAD and formaldehyde incuba...


ACS Med Chem Lett 10: 893-898 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK
More data for this
Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50535659
PNG
(CHEMBL4474283)
Show SMILES OC(=O)c1ccc(cc1)C(=O)N1CCc2c(C1)c(=O)oc1ccccc21
Show InChI InChI=1S/C20H15NO5/c22-18(12-5-7-13(8-6-12)19(23)24)21-10-9-14-15-3-1-2-4-17(15)26-20(25)16(14)11-21/h1-8H,9-11H2,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTHFD2 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NAD and formaldehyde incuba...


ACS Med Chem Lett 10: 893-898 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50535658
PNG
(CHEMBL4465667)
Show SMILES OC(=O)c1ccc(cc1)C(=O)N1CCc2c(C1)c(=O)n1CCCCn21
Show InChI InChI=1S/C18H19N3O4/c22-16(12-3-5-13(6-4-12)18(24)25)19-10-7-15-14(11-19)17(23)21-9-2-1-8-20(15)21/h3-6H,1-2,7-11H2,(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTHFD2 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NAD and formaldehyde incuba...


ACS Med Chem Lett 10: 893-898 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK
More data for this
Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50535670
PNG
(CHEMBL4448164)
Show SMILES Cn1c2CCN(Cc2c(=O)cc1-c1ccccc1)C(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C23H20N2O4/c1-24-19-11-12-25(22(27)16-7-9-17(10-8-16)23(28)29)14-18(19)21(26)13-20(24)15-5-3-2-4-6-15/h2-10,13H,11-12,14H2,1H3,(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTHFD2 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NAD and formaldehyde incuba...


ACS Med Chem Lett 10: 893-898 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK
More data for this
Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50535653
PNG
(CHEMBL4530832)
Show SMILES OC(=O)c1ccc(cc1)C(=O)N1CCc2nc([nH]c(=O)c2C1)-c1ccccc1
Show InChI InChI=1S/C21H17N3O4/c25-19-16-12-24(20(26)14-6-8-15(9-7-14)21(27)28)11-10-17(16)22-18(23-19)13-4-2-1-3-5-13/h1-9H,10-12H2,(H,27,28)(H,22,23,25)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.70E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTHFD2 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NAD and formaldehyde incuba...


ACS Med Chem Lett 10: 893-898 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK
More data for this
Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50535676
PNG
(CHEMBL4470717)
Show SMILES Nc1cc(ccc1C(O)=O)C(=O)N1CCc2nc([nH]c(=O)c2C1)-c1ccccc1
Show InChI InChI=1S/C21H18N4O4/c22-16-10-13(6-7-14(16)21(28)29)20(27)25-9-8-17-15(11-25)19(26)24-18(23-17)12-4-2-1-3-5-12/h1-7,10H,8-9,11,22H2,(H,28,29)(H,23,24,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.10E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTHFD2 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NAD and formaldehyde incuba...


ACS Med Chem Lett 10: 893-898 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK
More data for this
Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50535674
PNG
(CHEMBL4538051)
Show SMILES OC(=O)c1ccc(cc1)C(=O)N1CCc2c(C1)c(=O)[nH]c1ccccc21
Show InChI InChI=1S/C20H16N2O4/c23-18-16-11-22(19(24)12-5-7-13(8-6-12)20(25)26)10-9-14(16)15-3-1-2-4-17(15)21-18/h1-8H,9-11H2,(H,21,23)(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTHFD2 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NAD and formaldehyde incuba...


ACS Med Chem Lett 10: 893-898 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK
More data for this
Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50535657
PNG
(CHEMBL4469262)
Show SMILES OC(=O)c1ccc(cc1)C(=O)N1CCc2c(C1)c(=O)n1CCCn21
Show InChI InChI=1S/C17H17N3O4/c21-15(11-2-4-12(5-3-11)17(23)24)18-9-6-14-13(10-18)16(22)20-8-1-7-19(14)20/h2-5H,1,6-10H2,(H,23,24)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTHFD2 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NAD and formaldehyde incuba...


ACS Med Chem Lett 10: 893-898 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK
More data for this
Ligand-Target Pair
Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial


(Homo sapiens (Human))
BDBM50535652
PNG
(CHEMBL4547499)
Show SMILES OC(=O)c1ccc(cc1)C(=O)N1CCc2nc3CCCCn3c(=O)c2C1
Show InChI InChI=1S/C19H19N3O4/c23-17(12-4-6-13(7-5-12)19(25)26)21-10-8-15-14(11-21)18(24)22-9-2-1-3-16(22)20-15/h4-7H,1-3,8-11H2,(H,25,26)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.20E+3n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of recombinant MTHFD2 (unknown origin) assessed as reduction in methenyl-THF formation using tetrahydrofolate, NAD and formaldehyde incuba...


ACS Med Chem Lett 10: 893-898 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00069
BindingDB Entry DOI: 10.7270/Q2J67MFK
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 354 total )  |  Next  |  Last  >>
Jump to: