Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50007000 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50505262
(CHEMBL4559408)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C106H176N34O23S5/c1-11-56(6)83-103(161)138-84(57(7)12-2)104(162)139-85(58(8)13-3)105(163)140-40-25-33-79(140)102(160)132-72(44-61-48-117-54-121-61)96(154)127-69(34-41-164-10)92(150)134-76-51-167-168-52-77(135-94(152)70(42-55(4)5)128-87(145)59(9)111)100(158)131-74(46-81(113)142)98(156)136-78(101(159)130-73(45-80(112)141)97(155)126-68(93(151)137-83)32-24-39-118-106(115)116)53-166-165-50-75(88(146)120-49-82(143)122-65(29-17-21-36-108)89(147)123-64(86(114)144)28-16-20-35-107)133-91(149)67(31-19-23-38-110)124-90(148)66(30-18-22-37-109)125-95(153)71(129-99(76)157)43-60-47-119-63-27-15-14-26-62(60)63/h14-15,26-27,47-48,54-59,64-79,83-85,119H,11-13,16-25,28-46,49-53,107-111H2,1-10H3,(H2,112,141)(H2,113,142)(H2,114,144)(H,117,121)(H,120,146)(H,122,143)(H,123,147)(H,124,148)(H,125,153)(H,126,155)(H,127,154)(H,128,145)(H,129,157)(H,130,159)(H,131,158)(H,132,160)(H,133,149)(H,134,150)(H,135,152)(H,136,156)(H,137,151)(H,138,161)(H,139,162)(H4,115,116,118)/t56-,57-,58-,59-,64-,65-,66-,67-,68+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,83-,84-,85-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of ROMK (unknown origin) |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
G protein-activated inward rectifier potassium channel 4
(Homo sapiens (Human)) | BDBM50505262
(CHEMBL4559408)Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O |r| Show InChI InChI=1S/C106H176N34O23S5/c1-11-56(6)83-103(161)138-84(57(7)12-2)104(162)139-85(58(8)13-3)105(163)140-40-25-33-79(140)102(160)132-72(44-61-48-117-54-121-61)96(154)127-69(34-41-164-10)92(150)134-76-51-167-168-52-77(135-94(152)70(42-55(4)5)128-87(145)59(9)111)100(158)131-74(46-81(113)142)98(156)136-78(101(159)130-73(45-80(112)141)97(155)126-68(93(151)137-83)32-24-39-118-106(115)116)53-166-165-50-75(88(146)120-49-82(143)122-65(29-17-21-36-108)89(147)123-64(86(114)144)28-16-20-35-107)133-91(149)67(31-19-23-38-110)124-90(148)66(30-18-22-37-109)125-95(153)71(129-99(76)157)43-60-47-119-63-27-15-14-26-62(60)63/h14-15,26-27,47-48,54-59,64-79,83-85,119H,11-13,16-25,28-46,49-53,107-111H2,1-10H3,(H2,112,141)(H2,113,142)(H2,114,144)(H,117,121)(H,120,146)(H,122,143)(H,123,147)(H,124,148)(H,125,153)(H,126,155)(H,127,154)(H,128,145)(H,129,157)(H,130,159)(H,131,158)(H,132,160)(H,133,149)(H,134,150)(H,135,152)(H,136,156)(H,137,151)(H,138,161)(H,139,162)(H4,115,116,118)/t56-,57-,58-,59-,64-,65-,66-,67-,68+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,83-,84-,85-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
| Article
PubMed
| 8.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition GIRK1/4 (unknown origin) |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Rattus norvegicus (Rat)) | BDBM350315
(US10208064, Example 30)Show SMILES CC1=C(COC1=O)N1CCC2(CCN(CCc3ccc-4c(Cn5nnnc-45)c3)CC2)C1=O |t:1| Show InChI InChI=1S/C23H26N6O3/c1-15-19(14-32-21(15)30)28-11-7-23(22(28)31)5-9-27(10-6-23)8-4-16-2-3-18-17(12-16)13-29-20(18)24-25-26-29/h2-3,12H,4-11,13-14H2,1H3 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of rat ROMK1 expressed in HEK293 cells by Tl+ flux assay |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50505266
(CHEMBL4548110)Show SMILES CCOc1cc(ccc1C#N)-n1cc(CNC[C@H](O)c2ccc3C(=O)OCc3c2C)cn1 |r| Show InChI InChI=1S/C24H24N4O4/c1-3-31-23-8-18(5-4-17(23)9-25)28-13-16(11-27-28)10-26-12-22(29)19-6-7-20-21(15(19)2)14-32-24(20)30/h4-8,11,13,22,26,29H,3,10,12,14H2,1-2H3/t22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK1 expressed in CHO cells by Tl+ flux assay |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50505268
(CHEMBL4549009)Show SMILES [H][C@]1(CN(Cc2cc(no2)-c2cc(C)c(cn2)C#N)C[C@H](C)N1)c1ccc2C(=O)OCc2c1C |r| Show InChI InChI=1S/C25H25N5O3/c1-14-6-22(27-9-17(14)8-26)23-7-18(33-29-23)11-30-10-15(2)28-24(12-30)19-4-5-20-21(16(19)3)13-32-25(20)31/h4-7,9,15,24,28H,10-13H2,1-3H3/t15-,24-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK1 expressed in CHO cells by Tl+ flux assay |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50505267
(CHEMBL4563446)Show SMILES Cc1cc(ccc1C#N)-c1ncc(CNC[C@H](O)c2ccc3C(=O)OCc3c2C)s1 |r| Show InChI InChI=1S/C23H21N3O3S/c1-13-7-15(3-4-16(13)8-24)22-26-10-17(30-22)9-25-11-21(27)18-5-6-19-20(14(18)2)12-29-23(19)28/h3-7,10,21,25,27H,9,11-12H2,1-2H3/t21-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK1 expressed in CHO cells by Tl+ flux assay |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50505271
(CHEMBL4462473)Show SMILES [H][C@]1(CN(Cc2ccc(cn2)-n2cc(cn2)C#N)CCN1)c1ccc2C(=O)OCc2c1C |r| Show InChI InChI=1S/C23H22N6O2/c1-15-19(4-5-20-21(15)14-31-23(20)30)22-13-28(7-6-25-22)12-17-2-3-18(10-26-17)29-11-16(8-24)9-27-29/h2-5,9-11,22,25H,6-7,12-14H2,1H3/t22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK1 expressed in CHO cells by Tl+ flux assay |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Rattus norvegicus (Rat)) | BDBM350282
(US10208064, Example 2)Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@@H](O)c3ccc-4c(Cn5nnnc-45)c3Cl)CC2)C1=O |r,t:1| Show InChI InChI=1S/C23H25ClN6O4/c1-13-17(12-34-21(13)32)29-9-6-23(22(29)33)4-7-28(8-5-23)11-18(31)15-3-2-14-16(19(15)24)10-30-20(14)25-26-27-30/h2-3,18,31H,4-12H2,1H3/t18-/m1/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of rat ROMK1 expressed in HEK293 cells by Tl+ flux assay |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Rattus norvegicus (Rat)) | BDBM350300
(US10208064, Example 19)Show SMILES C[C@H]1CC2(CCN(C[C@@H](O)c3ccc4c(ccc5nnnn45)c3)CC2)C(=O)N1C1=CC(=O)OC1 |r,t:33| Show InChI InChI=1S/C24H26N6O4/c1-15-12-24(23(33)29(15)18-11-22(32)34-14-18)6-8-28(9-7-24)13-20(31)17-2-4-19-16(10-17)3-5-21-25-26-27-30(19)21/h2-5,10-11,15,20,31H,6-9,12-14H2,1H3/t15-,20+/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of rat ROMK1 expressed in HEK293 cells by Tl+ flux assay |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Rattus norvegicus (Rat)) | BDBM50505263
(CHEMBL4586813)Show SMILES CC1=C(COC1=O)N1CCC2(CCN(CC(CO)c3ccc4c(ccc5nnnn45)c3)CC2)C1=O |t:1| Show InChI InChI=1S/C25H28N6O4/c1-16-21(15-35-23(16)33)30-11-8-25(24(30)34)6-9-29(10-7-25)13-19(14-32)17-2-4-20-18(12-17)3-5-22-26-27-28-31(20)22/h2-5,12,19,32H,6-11,13-15H2,1H3 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of rat ROMK1 expressed in HEK293 cells by Tl+ flux assay |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50505265
(CHEMBL4465260)Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCc2nc(ncc2C1)-n1cc(C#N)c2ccccc12 Show InChI InChI=1S/C27H23N5O3/c1-16-19(6-7-21-22(16)15-35-26(21)34)25(33)14-31-9-8-23-18(12-31)11-29-27(30-23)32-13-17(10-28)20-4-2-3-5-24(20)32/h2-7,11,13,25,33H,8-9,12,14-15H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK1 expressed in CHO cells by Tl+ flux assay |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50505270
(CHEMBL4447159)Show SMILES Cc1c2COC(=O)c2ccc1C(O)CN1CCc2nc(ncc2C1)-n1ncc2c(cccc12)C#N Show InChI InChI=1S/C26H22N6O3/c1-15-18(5-6-19-21(15)14-35-25(19)34)24(33)13-31-8-7-22-17(12-31)10-28-26(30-22)32-23-4-2-3-16(9-27)20(23)11-29-32/h2-6,10-11,24,33H,7-8,12-14H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK1 expressed in CHO cells by Tl+ flux assay |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Rattus norvegicus (Rat)) | BDBM50505261
(CHEMBL4456474)Show SMILES CC1=C(COC1=O)N1CCC2(CCN(C[C@H](O)c3ccc-4c(Cn5nnnc-45)c3)C[C@H]2F)C1=O |r,t:1| Show InChI InChI=1S/C23H25FN6O4/c1-13-17(12-34-21(13)32)29-7-5-23(22(29)33)4-6-28(11-19(23)24)10-18(31)14-2-3-16-15(8-14)9-30-20(16)25-26-27-30/h2-3,8,18-19,31H,4-7,9-12H2,1H3/t18-,19+,23?/m0/s1 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of rat ROMK1 expressed in HEK293 cells by Tl+ flux assay |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50204280
(CHEMBL3987135 | US9573961, Example 15)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cc1)-n1cnnn1)c1ccc2C(=O)OCCc2c1 |r| Show InChI InChI=1S/C25H26N6O4/c32-24(11-17-1-4-20(5-2-17)31-16-26-27-28-31)30-9-8-29-14-23(35-15-21(29)13-30)19-3-6-22-18(12-19)7-10-34-25(22)33/h1-6,12,16,21,23H,7-11,13-15H2/t21-,23-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK1 expressed in HEK293 cells by Tl+ flux assay |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM290057
(US9573961, Example 42)Show SMILES Cc1c(cccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1)C#N |r| Show InChI InChI=1S/C24H25N7O2/c1-17-19(12-25)3-2-4-22(17)23-14-29-9-10-30(13-21(29)15-33-23)24(32)11-18-5-7-20(8-6-18)31-16-26-27-28-31/h2-8,16,21,23H,9-11,13-15H2,1H3/t21-,23-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK1 expressed in HEK293 cells by Tl+ flux assay |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50505264
(CHEMBL4544141)Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN2CC(OCC2C1)c1ccc2C(=O)OCc2c1 Show InChI InChI=1S/C24H24N6O4/c31-23(9-16-1-4-19(5-2-16)30-15-25-26-27-30)29-8-7-28-12-22(33-14-20(28)11-29)17-3-6-21-18(10-17)13-34-24(21)32/h1-6,10,15,20,22H,7-9,11-14H2 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK1 expressed in HEK293 cells by Tl+ flux assay |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Homo sapiens (Human)) | BDBM50204281
(CHEMBL3933749)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-19(4-5-21(24)20(15)9-25)22-12-30-6-7-31(11-18(30)13-34-22)23(33)8-16-2-3-17(10-26-16)32-14-27-28-29-32/h2-5,10,14,18,22H,6-8,11-13H2,1H3/t18-,22-/m0/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human ROMK1 expressed in HEK293 cells by Tl+ flux assay |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Rattus norvegicus (Rat)) | BDBM50287521
(CHEMBL2146753)Show SMILES [O-][N+](=O)c1ccc2nc(COCc3nc4ccc(cc4[nH]3)[N+]([O-])=O)[nH]c2c1 Show InChI InChI=1S/C16H12N6O5/c23-21(24)9-1-3-11-13(5-9)19-15(17-11)7-27-8-16-18-12-4-2-10(22(25)26)6-14(12)20-16/h1-6H,7-8H2,(H,17,19)(H,18,20) | UniProtKB/SwissProt
GoogleScholar
AffyNet
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MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of rat ROMK1 expressed in HEK293 cells by Tl+ flux assay |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Rattus norvegicus (Rat)) | BDBM73215
(7,13-bis(4-nitrobenzyl)-1,4,10-trioxa-7,13-diazacy...)Show SMILES [O-][N+](=O)c1ccc(CN2CCOCCOCCN(Cc3ccc(cc3)[N+]([O-])=O)CCOCC2)cc1 Show InChI InChI=1S/C24H32N4O7/c29-27(30)23-5-1-21(2-6-23)19-25-9-13-33-14-10-26(12-16-35-18-17-34-15-11-25)20-22-3-7-24(8-4-22)28(31)32/h1-8H,9-20H2 | UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 294 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of rat ROMK1 expressed in HEK293 cells by Tl+ flux assay |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
ATP-sensitive inward rectifier potassium channel 1
(Rattus norvegicus (Rat)) | BDBM50505269
(CHEMBL1470194)Show SMILES [O-][N+](=O)c1ccc2[nH]c(CCCc3nc4cc(ccc4[nH]3)[N+]([O-])=O)nc2c1 Show InChI InChI=1S/C17H14N6O4/c24-22(25)10-4-6-12-14(8-10)20-16(18-12)2-1-3-17-19-13-7-5-11(23(26)27)9-15(13)21-17/h4-9H,1-3H2,(H,18,20)(H,19,21) | UniProtKB/SwissProt
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of rat ROMK1 expressed in HEK293 cells by Tl+ flux assay |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM290057
(US9573961, Example 42)Show SMILES Cc1c(cccc1[C@@H]1CN2CCN(C[C@H]2CO1)C(=O)Cc1ccc(cc1)-n1cnnn1)C#N |r| Show InChI InChI=1S/C24H25N7O2/c1-17-19(12-25)3-2-4-22(17)23-14-29-9-10-30(13-21(29)15-33-23)24(32)11-18-5-7-20(8-6-18)31-16-26-27-28-31/h2-8,16,21,23H,9-11,13-15H2,1H3/t21-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50204281
(CHEMBL3933749)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cn1)-n1cnnn1)c1ccc(F)c(C#N)c1C |r| Show InChI InChI=1S/C23H23FN8O2/c1-15-19(4-5-21(24)20(15)9-25)22-12-30-6-7-31(11-18(30)13-34-22)23(33)8-16-2-3-17(10-26-16)32-14-27-28-29-32/h2-5,10,14,18,22H,6-8,11-13H2,1H3/t18-,22-/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/a | n/a | 2.03E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50505264
(CHEMBL4544141)Show SMILES O=C(Cc1ccc(cc1)-n1cnnn1)N1CCN2CC(OCC2C1)c1ccc2C(=O)OCc2c1 Show InChI InChI=1S/C24H24N6O4/c31-23(9-16-1-4-19(5-2-16)30-15-25-26-27-30)29-8-7-28-12-22(33-14-20(28)11-29)17-3-6-21-18(10-17)13-34-24(21)32/h1-6,10,15,20,22H,7-9,11-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.11E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50204280
(CHEMBL3987135 | US9573961, Example 15)Show SMILES [H][C@]12CO[C@@H](CN1CCN(C2)C(=O)Cc1ccc(cc1)-n1cnnn1)c1ccc2C(=O)OCCc2c1 |r| Show InChI InChI=1S/C25H26N6O4/c32-24(11-17-1-4-20(5-2-17)31-16-26-27-28-31)30-9-8-29-14-23(35-15-21(29)13-30)19-3-6-22-18(12-19)7-10-34-25(22)33/h1-6,12,16,21,23H,7-11,13-15H2/t21-,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/a | n/a | 7.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 62: 8682-8694 (2019)
Article DOI: 10.1021/acs.jmedchem.8b01891
BindingDB Entry DOI: 10.7270/Q2GH9N7J |
More data for this
Ligand-Target Pair | |
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