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Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'rising' and Initial = 'tj'   
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
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22891
PNG
(3-[({2-[(diaminomethylidene)amino]-1,3-thiazol-4-y...)
Show SMILES [#7]\[#6](-[#7])=[#7]\c1nc(-[#6]-[#16]-[#6]-[#6]-[#6](-[#7])=[#7]S([#7])(=O)=O)cs1 |w:13.13|
Show InChI InChI=1S/C8H15N7O2S3/c9-6(15-20(12,16)17)1-2-18-3-5-4-19-8(13-5)14-7(10)11/h4H,1-3H2,(H2,9,15)(H2,12,16,17)(H4,10,11,13,14)
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12n/an/an/an/an/an/an/an/a



Hoechst Pharmaceutical Research Laboratories

Curated by PDSP Ki Database




Nature 304: 65-7 (1983)


BindingDB Entry DOI: 10.7270/Q2930RN2
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22568
PNG
(1-cyano-3-{2-[({2-[(diaminomethylidene)amino]-1,3-...)
Show SMILES [#6]-[#7]-[#6](-[#7]C#N)=[#7]-[#6]-[#6]-[#16]-[#6]-c1csc(\[#7]=[#6](\[#7])-[#7])n1 |w:6.6|
Show InChI InChI=1S/C10H16N8S2/c1-14-9(16-6-11)15-2-3-19-4-7-5-20-10(17-7)18-8(12)13/h5H,2-4H2,1H3,(H2,14,15,16)(H4,12,13,17,18)
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34n/an/an/an/an/an/an/an/a



Hoechst Pharmaceutical Research Laboratories

Curated by PDSP Ki Database




Nature 304: 65-7 (1983)


BindingDB Entry DOI: 10.7270/Q2930RN2
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22884
PNG
(2-[3-(1H-imidazol-5-yl)propyl]-1-(2-{[(5-methyl-1H...)
Show SMILES Cc1nc[nH]c1CSCCN=C(N)NCCCc1cnc[nH]1 |w:10.10|
Show InChI InChI=1S/C14H23N7S/c1-11-13(21-10-19-11)8-22-6-5-18-14(15)17-4-2-3-12-7-16-9-20-12/h7,9-10H,2-6,8H2,1H3,(H,16,20)(H,19,21)(H3,15,17,18)
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63n/an/an/an/an/an/an/an/a



Hoechst Pharmaceutical Research Laboratories

Curated by PDSP Ki Database




Nature 304: 65-7 (1983)


BindingDB Entry DOI: 10.7270/Q2930RN2
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22893
PNG
(CHEMBL512 | Ranitidine | ZANTAC | dimethyl[(5-{[(2...)
Show SMILES CN\C([CH-][N+]([O-])=O)=[NH+]/CCSCc1ccc(CN(C)C)o1
Show InChI InChI=1S/C13H21N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9H,6-8,10H2,1-3H3,(H,14,15)/q-1/p+1
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390n/an/an/an/an/an/an/an/a



Hoechst Pharmaceutical Research Laboratories

Curated by PDSP Ki Database




Nature 304: 65-7 (1983)


BindingDB Entry DOI: 10.7270/Q2930RN2
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22889
PNG
((Cimetidine) N-Methyl-N''''-[2-(5-methyl-1H-imidaz...)
Show SMILES CNC(NC#N)=NCCSCc1[nH]cnc1C |w:6.6|
Show InChI InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)
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470n/an/an/an/an/an/an/an/a



Hoechst Pharmaceutical Research Laboratories

Curated by PDSP Ki Database




Nature 304: 65-7 (1983)


BindingDB Entry DOI: 10.7270/Q2930RN2
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM81468
PNG
(CAS_34839-70-8 | Metiamide | NSC_1548992)
Show SMILES CNC(=S)NCCSCc1[nH]cnc1C
Show InChI InChI=1S/C9H16N4S2/c1-7-8(13-6-12-7)5-15-4-3-11-9(14)10-2/h6H,3-5H2,1-2H3,(H,12,13)(H2,10,11,14)
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510n/an/an/an/an/an/an/an/a



Hoechst Pharmaceutical Research Laboratories

Curated by PDSP Ki Database




Nature 304: 65-7 (1983)


BindingDB Entry DOI: 10.7270/Q2930RN2
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22888
PNG
(1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea | B...)
Show SMILES CNC(=S)NCCCCc1cnc[nH]1
Show InChI InChI=1S/C9H16N4S/c1-10-9(14)12-5-3-2-4-8-6-11-7-13-8/h6-7H,2-5H2,1H3,(H,11,13)(H2,10,12,14)
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3.00E+3n/an/an/an/an/an/an/an/a



Hoechst Pharmaceutical Research Laboratories

Curated by PDSP Ki Database




Nature 304: 65-7 (1983)


BindingDB Entry DOI: 10.7270/Q2930RN2
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM82086
PNG
(CAS_34970-65-5 | CHEMBL72427 | SK&F 91581 | SKF915...)
Show SMILES CNC(=S)NCCCc1cnc[nH]1
Show InChI InChI=1S/C8H14N4S/c1-9-8(13)11-4-2-3-7-5-10-6-12-7/h5-6H,2-4H2,1H3,(H,10,12)(H2,9,11,13)
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>1.00E+4n/an/an/an/an/an/an/an/a



Hoechst Pharmaceutical Research Laboratories

Curated by PDSP Ki Database




Nature 304: 65-7 (1983)


BindingDB Entry DOI: 10.7270/Q2930RN2
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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>1.00E+4n/an/an/an/an/an/an/an/a



Hoechst Pharmaceutical Research Laboratories

Curated by PDSP Ki Database




Nature 304: 65-7 (1983)


BindingDB Entry DOI: 10.7270/Q2930RN2
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22883
PNG
(CHEMBL12344 | Dimaprit | [3-(carbamimidoylsulfanyl...)
Show SMILES CN(C)CCCSC(N)=N
Show InChI InChI=1S/C6H15N3S/c1-9(2)4-3-5-10-6(7)8/h3-5H2,1-2H3,(H3,7,8)
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CHEMBL
KEGG
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>1.00E+4n/an/an/an/an/an/an/an/a



Hoechst Pharmaceutical Research Laboratories

Curated by PDSP Ki Database




Nature 304: 65-7 (1983)


BindingDB Entry DOI: 10.7270/Q2930RN2
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22880
PNG
(2-(5-methyl-1H-imidazol-4-yl)ethan-1-amine | 4-Met...)
Show SMILES Cc1nc[nH]c1CCN
Show InChI InChI=1S/C6H11N3/c1-5-6(2-3-7)9-4-8-5/h4H,2-3,7H2,1H3,(H,8,9)
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>1.00E+4n/an/an/an/an/an/an/an/a



Hoechst Pharmaceutical Research Laboratories

Curated by PDSP Ki Database




Nature 304: 65-7 (1983)


BindingDB Entry DOI: 10.7270/Q2930RN2
More data for this
Ligand-Target Pair