Found 305 hits with Last Name = 'che' and Initial = 'kh' 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 |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50370582
(CHEMBL1791306)Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@H](C)O Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42-,43-,50-,51+,52-,53+,54-,55-,56+,57-,58-,59-,62+,63+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| >0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of human somatostatin receptor type 2 |
J Med Chem 48: 4025-30 (2005)
Article DOI: 10.1021/jm058184l BindingDB Entry DOI: 10.7270/Q2736RP5 |
More data for this Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50370578
(CHEMBL1791304)Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnccn2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@H](C)O Show InChI InChI=1S/C74H102N20O19S2/c1-39(77)62(100)82-35-59(99)83-56-37-114-115-38-57(74(112)113)92-70(108)55(36-95)91-73(111)61(41(3)97)94-69(107)51(29-43-18-8-5-9-19-43)90-72(110)60(40(2)96)93-64(102)49(23-13-15-25-76)84-66(104)52(30-44-33-81-47-21-11-10-20-46(44)47)87-65(103)50(28-42-16-6-4-7-17-42)86-67(105)53(31-45-34-79-26-27-80-45)88-68(106)54(32-58(78)98)89-63(101)48(85-71(56)109)22-12-14-24-75/h4-11,16-21,26-27,33-34,39-41,48-57,60-61,81,95-97H,12-15,22-25,28-32,35-38,75-77H2,1-3H3,(H2,78,98)(H,82,100)(H,83,99)(H,84,104)(H,85,109)(H,86,105)(H,87,103)(H,88,106)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t39-,40-,41-,48-,49+,50+,51-,52-,53-,54+,55-,56-,57-,60+,61+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of human somatostatin receptor type 2 |
J Med Chem 48: 4025-30 (2005)
Article DOI: 10.1021/jm058184l BindingDB Entry DOI: 10.7270/Q2736RP5 |
More data for this Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50370577
(CHEMBL1791312)Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](Cc2cnccn2)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@H](C)O Show InChI InChI=1S/C74H102N20O19S2/c1-39(77)62(100)82-35-59(99)83-56-37-114-115-38-57(74(112)113)92-70(108)55(36-95)91-73(111)61(41(3)97)94-69(107)53(31-45-34-79-26-27-80-45)90-72(110)60(40(2)96)93-64(102)49(23-13-15-25-76)84-67(105)52(30-44-33-81-47-21-11-10-20-46(44)47)88-66(104)51(29-43-18-8-5-9-19-43)86-65(103)50(28-42-16-6-4-7-17-42)87-68(106)54(32-58(78)98)89-63(101)48(85-71(56)109)22-12-14-24-75/h4-11,16-21,26-27,33-34,39-41,48-57,60-61,81,95-97H,12-15,22-25,28-32,35-38,75-77H2,1-3H3,(H2,78,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t39-,40-,41-,48-,49+,50-,51+,52-,53-,54+,55-,56-,57-,60+,61+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of human somatostatin receptor type 2 |
J Med Chem 48: 4025-30 (2005)
Article DOI: 10.1021/jm058184l BindingDB Entry DOI: 10.7270/Q2736RP5 |
More data for this Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50370582
(CHEMBL1791306)Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@H](C)O Show InChI InChI=1S/C76H104N18O19S2/c1-41(79)64(100)82-37-61(99)83-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-66(102)51(28-16-18-30-78)84-69(105)55(34-47-36-81-49-26-14-13-25-48(47)49)88-68(104)53(32-45-21-9-5-10-22-45)86-67(103)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-65(101)50(85-73(58)109)27-15-17-29-77/h4-14,19-26,36,41-43,50-59,62-63,81,95-97H,15-18,27-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t41-,42-,43-,50-,51+,52-,53+,54-,55-,56+,57-,58-,59-,62+,63+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of human somatostatin receptor type 4 |
J Med Chem 48: 4025-30 (2005)
Article DOI: 10.1021/jm058184l BindingDB Entry DOI: 10.7270/Q2736RP5 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50217050
(CHEMBL322885)Show SMILES CS(=O)(=O)N1CC2C(C(=O)N(C2=O)c2ccccc2)C11CCN(CC1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H23F6N3O5S/c1-41(39,40)34-14-19-20(23(38)35(22(19)37)18-5-3-2-4-6-18)24(34)7-9-33(10-8-24)21(36)15-11-16(25(27,28)29)13-17(12-15)26(30,31)32/h2-6,11-13,19-20H,7-10,14H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 3073-6 (2002)
BindingDB Entry DOI: 10.7270/Q23N25J3 |
More data for this Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50370580
(CHEMBL1791307)Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](C)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(N)=O)NC(=O)CNC(=O)[C@H](C)N)[C@H](C)O Show InChI InChI=1S/C70H101N19O18S2/c1-36(73)59(96)77-32-55(94)79-53-35-109-108-34-52(58(75)95)87-67(104)51(33-90)86-70(107)57(39(4)92)88-60(97)37(2)78-69(106)56(38(3)91)89-62(99)46(24-14-16-26-72)80-65(102)49(29-42-31-76-44-22-12-11-21-43(42)44)84-64(101)48(28-41-19-9-6-10-20-41)82-63(100)47(27-40-17-7-5-8-18-40)83-66(103)50(30-54(74)93)85-61(98)45(81-68(53)105)23-13-15-25-71/h5-12,17-22,31,36-39,45-53,56-57,76,90-92H,13-16,23-30,32-35,71-73H2,1-4H3,(H2,74,93)(H2,75,95)(H,77,96)(H,78,106)(H,79,94)(H,80,102)(H,81,105)(H,82,100)(H,83,103)(H,84,101)(H,85,98)(H,86,107)(H,87,104)(H,88,97)(H,89,99)/t36-,37-,38-,39-,45-,46+,47-,48+,49-,50+,51-,52-,53-,56+,57+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of human somatostatin receptor type 2 |
J Med Chem 48: 4025-30 (2005)
Article DOI: 10.1021/jm058184l BindingDB Entry DOI: 10.7270/Q2736RP5 |
More data for this Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50370578
(CHEMBL1791304)Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnccn2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@H](C)O Show InChI InChI=1S/C74H102N20O19S2/c1-39(77)62(100)82-35-59(99)83-56-37-114-115-38-57(74(112)113)92-70(108)55(36-95)91-73(111)61(41(3)97)94-69(107)51(29-43-18-8-5-9-19-43)90-72(110)60(40(2)96)93-64(102)49(23-13-15-25-76)84-66(104)52(30-44-33-81-47-21-11-10-20-46(44)47)87-65(103)50(28-42-16-6-4-7-17-42)86-67(105)53(31-45-34-79-26-27-80-45)88-68(106)54(32-58(78)98)89-63(101)48(85-71(56)109)22-12-14-24-75/h4-11,16-21,26-27,33-34,39-41,48-57,60-61,81,95-97H,12-15,22-25,28-32,35-38,75-77H2,1-3H3,(H2,78,98)(H,82,100)(H,83,99)(H,84,104)(H,85,109)(H,86,105)(H,87,103)(H,88,106)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t39-,40-,41-,48-,49+,50+,51-,52-,53-,54+,55-,56-,57-,60+,61+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of human somatostatin receptor type 2 (n=6) |
J Med Chem 48: 4025-30 (2005)
Article DOI: 10.1021/jm058184l BindingDB Entry DOI: 10.7270/Q2736RP5 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50217049
(CHEMBL317238)Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCC2(CC1)C1C(CN2C(=O)CN2CCOCC2)C(=O)N(C1=O)c1ccccc1 Show InChI InChI=1S/C31H30F6N4O5/c32-30(33,34)20-14-19(15-21(16-20)31(35,36)37)26(43)39-8-6-29(7-9-39)25-23(17-40(29)24(42)18-38-10-12-46-13-11-38)27(44)41(28(25)45)22-4-2-1-3-5-22/h1-5,14-16,23,25H,6-13,17-18H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| 8.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 3073-6 (2002)
BindingDB Entry DOI: 10.7270/Q23N25J3 |
More data for this Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50370583
(CHEMBL1791311)Show SMILES CC(O)[C@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@H](C)O)C(N)=O)NC(=O)CNC(=O)[C@H](C)N Show InChI InChI=1S/C70H101N19O18S2/c1-36(73)59(96)77-32-55(94)79-53-35-109-108-34-52(58(75)95)87-67(104)51(33-90)86-70(107)57(39(4)92)89-66(103)48(28-41-19-9-6-10-20-41)85-69(106)56(38(3)91)88-62(99)46(24-14-16-26-72)80-64(101)49(29-42-31-76-44-22-12-11-21-43(42)44)82-60(97)37(2)78-63(100)47(27-40-17-7-5-8-18-40)83-65(102)50(30-54(74)93)84-61(98)45(81-68(53)105)23-13-15-25-71/h5-12,17-22,31,36-39,45-53,56-57,76,90-92H,13-16,23-30,32-35,71-73H2,1-4H3,(H2,74,93)(H2,75,95)(H,77,96)(H,78,100)(H,79,94)(H,80,101)(H,81,105)(H,82,97)(H,83,102)(H,84,98)(H,85,106)(H,86,107)(H,87,104)(H,88,99)(H,89,103)/t36-,37+,38?,39-,45-,46+,47-,48-,49-,50+,51-,52-,53-,56+,57+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of human somatostatin receptor type 2 |
J Med Chem 48: 4025-30 (2005)
Article DOI: 10.1021/jm058184l BindingDB Entry DOI: 10.7270/Q2736RP5 |
More data for this Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50370581
(CHEMBL1791310)Show SMILES CC(O)[C@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@H](C)O)C(N)=O)NC(=O)CNC(=O)[C@H](C)N Show InChI InChI=1S/C70H101N19O18S2/c1-36(73)59(96)77-32-55(94)79-53-35-109-108-34-52(58(75)95)87-67(104)51(33-90)86-70(107)57(39(4)92)89-66(103)48(28-41-19-9-6-10-20-41)85-69(106)56(38(3)91)88-62(99)46(24-14-16-26-72)80-65(102)49(29-42-31-76-44-22-12-11-21-43(42)44)83-64(101)47(27-40-17-7-5-8-18-40)82-60(97)37(2)78-63(100)50(30-54(74)93)84-61(98)45(81-68(53)105)23-13-15-25-71/h5-12,17-22,31,36-39,45-53,56-57,76,90-92H,13-16,23-30,32-35,71-73H2,1-4H3,(H2,74,93)(H2,75,95)(H,77,96)(H,78,100)(H,79,94)(H,80,102)(H,81,105)(H,82,97)(H,83,101)(H,84,98)(H,85,106)(H,86,107)(H,87,104)(H,88,99)(H,89,103)/t36-,37-,38?,39-,45-,46+,47+,48-,49-,50+,51-,52-,53-,56+,57+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of human somatostatin receptor type 2 |
J Med Chem 48: 4025-30 (2005)
Article DOI: 10.1021/jm058184l BindingDB Entry DOI: 10.7270/Q2736RP5 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50217090
(CHEMBL321098)Show SMILES COc1ccc(OC)c(c1)S(=O)(=O)N1CCC2(CC1)C1C(CN2C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)N(C1=O)c1ccccc1 Show InChI InChI=1S/C33H29F6N3O7S/c1-48-23-8-9-25(49-2)26(17-23)50(46,47)40-12-10-31(11-13-40)27-24(29(44)42(30(27)45)22-6-4-3-5-7-22)18-41(31)28(43)19-14-20(32(34,35)36)16-21(15-19)33(37,38)39/h3-9,14-17,24,27H,10-13,18H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 3073-6 (2002)
BindingDB Entry DOI: 10.7270/Q23N25J3 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50217053
(CHEMBL102917)Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CC2C(C(=O)N(C2=O)c2ccccc2)C11CCN(CC1)S(=O)(=O)c1ccc2OCC(=O)Nc2c1 Show InChI InChI=1S/C33H26F6N4O7S/c34-32(35,36)19-12-18(13-20(14-19)33(37,38)39)28(45)42-16-23-27(30(47)43(29(23)46)21-4-2-1-3-5-21)31(42)8-10-41(11-9-31)51(48,49)22-6-7-25-24(15-22)40-26(44)17-50-25/h1-7,12-15,23,27H,8-11,16-17H2,(H,40,44) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 3073-6 (2002)
BindingDB Entry DOI: 10.7270/Q23N25J3 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50217087
(CHEMBL319653)Show SMILES CN1C(=O)C2CN(C3(CCN(CC3)C(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)C2C1=O)S(=O)(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C30H25F6N3O5S/c1-37-26(41)23-16-39(45(43,44)22-7-6-17-4-2-3-5-18(17)14-22)28(24(23)27(37)42)8-10-38(11-9-28)25(40)19-12-20(29(31,32)33)15-21(13-19)30(34,35)36/h2-7,12-15,23-24H,8-11,16H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 39 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 3073-6 (2002)
BindingDB Entry DOI: 10.7270/Q23N25J3 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220512
(CHEMBL84161)Show SMILES Cc1cccc(NC(=O)N2CCC3(CC2)NC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C3=O)c1 Show InChI InChI=1S/C24H22F6N4O3/c1-14-3-2-4-18(9-14)31-20(36)33-7-5-22(6-8-33)19(35)34(21(37)32-22)13-15-10-16(23(25,26)27)12-17(11-15)24(28,29)30/h2-4,9-12H,5-8,13H2,1H3,(H,31,36)(H,32,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50370578
(CHEMBL1791304)Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnccn2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@H](C)O Show InChI InChI=1S/C74H102N20O19S2/c1-39(77)62(100)82-35-59(99)83-56-37-114-115-38-57(74(112)113)92-70(108)55(36-95)91-73(111)61(41(3)97)94-69(107)51(29-43-18-8-5-9-19-43)90-72(110)60(40(2)96)93-64(102)49(23-13-15-25-76)84-66(104)52(30-44-33-81-47-21-11-10-20-46(44)47)87-65(103)50(28-42-16-6-4-7-17-42)86-67(105)53(31-45-34-79-26-27-80-45)88-68(106)54(32-58(78)98)89-63(101)48(85-71(56)109)22-12-14-24-75/h4-11,16-21,26-27,33-34,39-41,48-57,60-61,81,95-97H,12-15,22-25,28-32,35-38,75-77H2,1-3H3,(H2,78,98)(H,82,100)(H,83,99)(H,84,104)(H,85,109)(H,86,105)(H,87,103)(H,88,106)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t39-,40-,41-,48-,49+,50+,51-,52-,53-,54+,55-,56-,57-,60+,61+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of human somatostatin receptor type 4 |
J Med Chem 48: 4025-30 (2005)
Article DOI: 10.1021/jm058184l BindingDB Entry DOI: 10.7270/Q2736RP5 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220507
(CHEMBL311946)Show SMILES FC(F)(F)c1cc(CN2C(=O)NC3(CCN(CC3)S(=O)(=O)CCc3cccc4ccccc34)C2=O)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H25F6N3O4S/c29-27(30,31)21-14-18(15-22(16-21)28(32,33)34)17-37-24(38)26(35-25(37)39)9-11-36(12-10-26)42(40,41)13-8-20-6-3-5-19-4-1-2-7-23(19)20/h1-7,14-16H,8-13,17H2,(H,35,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50217091
(CHEMBL322453)Show SMILES Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)C1C(CN2C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)N(C1=O)c1ccccc1 Show InChI InChI=1S/C30H26F6N4O6S/c1-16-24(17(2)46-37-16)47(44,45)38-10-8-28(9-11-38)23-22(26(42)40(27(23)43)21-6-4-3-5-7-21)15-39(28)25(41)18-12-19(29(31,32)33)14-20(13-18)30(34,35)36/h3-7,12-14,22-23H,8-11,15H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 76 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 3073-6 (2002)
BindingDB Entry DOI: 10.7270/Q23N25J3 |
More data for this Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50370578
(CHEMBL1791304)Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnccn2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@H](C)O Show InChI InChI=1S/C74H102N20O19S2/c1-39(77)62(100)82-35-59(99)83-56-37-114-115-38-57(74(112)113)92-70(108)55(36-95)91-73(111)61(41(3)97)94-69(107)51(29-43-18-8-5-9-19-43)90-72(110)60(40(2)96)93-64(102)49(23-13-15-25-76)84-66(104)52(30-44-33-81-47-21-11-10-20-46(44)47)87-65(103)50(28-42-16-6-4-7-17-42)86-67(105)53(31-45-34-79-26-27-80-45)88-68(106)54(32-58(78)98)89-63(101)48(85-71(56)109)22-12-14-24-75/h4-11,16-21,26-27,33-34,39-41,48-57,60-61,81,95-97H,12-15,22-25,28-32,35-38,75-77H2,1-3H3,(H2,78,98)(H,82,100)(H,83,99)(H,84,104)(H,85,109)(H,86,105)(H,87,103)(H,88,106)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t39-,40-,41-,48-,49+,50+,51-,52-,53-,54+,55-,56-,57-,60+,61+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 77 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of human somatostatin receptor type 4 (n=5) |
J Med Chem 48: 4025-30 (2005)
Article DOI: 10.1021/jm058184l BindingDB Entry DOI: 10.7270/Q2736RP5 |
More data for this Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50370581
(CHEMBL1791310)Show SMILES CC(O)[C@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@H](C)O)C(N)=O)NC(=O)CNC(=O)[C@H](C)N Show InChI InChI=1S/C70H101N19O18S2/c1-36(73)59(96)77-32-55(94)79-53-35-109-108-34-52(58(75)95)87-67(104)51(33-90)86-70(107)57(39(4)92)89-66(103)48(28-41-19-9-6-10-20-41)85-69(106)56(38(3)91)88-62(99)46(24-14-16-26-72)80-65(102)49(29-42-31-76-44-22-12-11-21-43(42)44)83-64(101)47(27-40-17-7-5-8-18-40)82-60(97)37(2)78-63(100)50(30-54(74)93)84-61(98)45(81-68(53)105)23-13-15-25-71/h5-12,17-22,31,36-39,45-53,56-57,76,90-92H,13-16,23-30,32-35,71-73H2,1-4H3,(H2,74,93)(H2,75,95)(H,77,96)(H,78,100)(H,79,94)(H,80,102)(H,81,105)(H,82,97)(H,83,101)(H,84,98)(H,85,106)(H,86,107)(H,87,104)(H,88,99)(H,89,103)/t36-,37-,38?,39-,45-,46+,47+,48-,49-,50+,51-,52-,53-,56+,57+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of human somatostatin receptor type 4 |
J Med Chem 48: 4025-30 (2005)
Article DOI: 10.1021/jm058184l BindingDB Entry DOI: 10.7270/Q2736RP5 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220517
(CHEMBL310521)Show SMILES FC(F)(F)c1cc(CN2C(=O)NC3(CCN(Cc4cccc(c4)C#N)CC3)C2=O)cc(c1)C(F)(F)F Show InChI InChI=1S/C24H20F6N4O2/c25-23(26,27)18-9-17(10-19(11-18)24(28,29)30)14-34-20(35)22(32-21(34)36)4-6-33(7-5-22)13-16-3-1-2-15(8-16)12-31/h1-3,8-11H,4-7,13-14H2,(H,32,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50370577
(CHEMBL1791312)Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](Cc2cnccn2)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@H](C)O Show InChI InChI=1S/C74H102N20O19S2/c1-39(77)62(100)82-35-59(99)83-56-37-114-115-38-57(74(112)113)92-70(108)55(36-95)91-73(111)61(41(3)97)94-69(107)53(31-45-34-79-26-27-80-45)90-72(110)60(40(2)96)93-64(102)49(23-13-15-25-76)84-67(105)52(30-44-33-81-47-21-11-10-20-46(44)47)88-66(104)51(29-43-18-8-5-9-19-43)86-65(103)50(28-42-16-6-4-7-17-42)87-68(106)54(32-58(78)98)89-63(101)48(85-71(56)109)22-12-14-24-75/h4-11,16-21,26-27,33-34,39-41,48-57,60-61,81,95-97H,12-15,22-25,28-32,35-38,75-77H2,1-3H3,(H2,78,98)(H,82,100)(H,83,99)(H,84,105)(H,85,109)(H,86,103)(H,87,106)(H,88,104)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t39-,40-,41-,48-,49+,50-,51+,52-,53-,54+,55-,56-,57-,60+,61+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 124 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of human somatostatin receptor type 4 |
J Med Chem 48: 4025-30 (2005)
Article DOI: 10.1021/jm058184l BindingDB Entry DOI: 10.7270/Q2736RP5 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220508
(CHEMBL313590)Show SMILES CSc1ccc(cc1)N1C(=O)NC2(CCN(CC2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O Show InChI InChI=1S/C23H19F6N3O3S/c1-36-17-4-2-16(3-5-17)32-19(34)21(30-20(32)35)6-8-31(9-7-21)18(33)13-10-14(22(24,25)26)12-15(11-13)23(27,28)29/h2-5,10-12H,6-9H2,1H3,(H,30,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 132 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220509
(CHEMBL313297)Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCC2(CC1)NC(=O)N(Cc1cccc(c1)-c1ccccc1)C2=O Show InChI InChI=1S/C29H23F6N3O3/c30-28(31,32)22-14-21(15-23(16-22)29(33,34)35)24(39)37-11-9-27(10-12-37)25(40)38(26(41)36-27)17-18-5-4-8-20(13-18)19-6-2-1-3-7-19/h1-8,13-16H,9-12,17H2,(H,36,41) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 138 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220505
(CHEMBL84761)Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc3OCOc3c1)C2=O Show InChI InChI=1S/C24H19F6N3O5/c25-23(26,27)15-8-14(9-16(10-15)24(28,29)30)19(34)32-5-3-22(4-6-32)20(35)33(21(36)31-22)11-13-1-2-17-18(7-13)38-12-37-17/h1-2,7-10H,3-6,11-12H2,(H,31,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 245 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50217094
(CHEMBL318093)Show SMILES CS(=O)(=O)N1CCC2(CC1)C1C(CN2C(=O)c2ccc3ccccc3c2)C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O Show InChI InChI=1S/C31H27F6N3O5S/c1-46(44,45)38-10-8-29(9-11-38)25-24(17-40(29)26(41)21-7-6-19-4-2-3-5-20(19)14-21)27(42)39(28(25)43)16-18-12-22(30(32,33)34)15-23(13-18)31(35,36)37/h2-7,12-15,24-25H,8-11,16-17H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 263 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 3073-6 (2002)
BindingDB Entry DOI: 10.7270/Q23N25J3 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50217092
(CHEMBL102932)Show SMILES CC(C)(C)C(=O)N1CCC2(CC1)C1C(CN2C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)N(C1=O)c1ccccc1 Show InChI InChI=1S/C30H29F6N3O4/c1-27(2,3)26(43)37-11-9-28(10-12-37)22-21(24(41)39(25(22)42)20-7-5-4-6-8-20)16-38(28)23(40)17-13-18(29(31,32)33)15-19(14-17)30(34,35)36/h4-8,13-15,21-22H,9-12,16H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 302 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 3073-6 (2002)
BindingDB Entry DOI: 10.7270/Q23N25J3 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220516
(CHEMBL420787)Show SMILES Cc1cc(C)c(C(=O)N2CCC3(CC2)NC(=O)N(C3=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(C)c1 Show InChI InChI=1S/C25H23F6N3O3/c1-13-8-14(2)19(15(3)9-13)20(35)33-6-4-23(5-7-33)21(36)34(22(37)32-23)18-11-16(24(26,27)28)10-17(12-18)25(29,30)31/h8-12H,4-7H2,1-3H3,(H,32,37) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 324 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220511
(CHEMBL314499)Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)N1C(=O)NC2(CCN(CC2)C(=O)c2cccc3ccccc23)C1=O Show InChI InChI=1S/C26H19F6N3O3/c27-25(28,29)16-12-17(26(30,31)32)14-18(13-16)35-22(37)24(33-23(35)38)8-10-34(11-9-24)21(36)20-7-3-5-15-4-1-2-6-19(15)20/h1-7,12-14H,8-11H2,(H,33,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 339 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220510
(CHEMBL84873)Show SMILES CN1C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C2(CCN(CC2)C(=O)c2cccc3ccccc23)C1=O Show InChI InChI=1S/C28H23F6N3O3/c1-35-24(39)26(9-11-36(12-10-26)23(38)22-8-4-6-18-5-2-3-7-21(18)22)37(25(35)40)16-17-13-19(27(29,30)31)15-20(14-17)28(32,33)34/h2-8,13-15H,9-12,16H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 457 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50217052
(CHEMBL106273)Show SMILES FC(F)(F)c1cc(CN2C(=O)C3CN(C(=O)c4sc5ccccc5c4Cl)C4(CCNCC4)C3C2=O)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22ClF6N3O3S/c29-21-17-3-1-2-4-19(17)42-22(21)25(41)38-13-18-20(26(38)5-7-36-8-6-26)24(40)37(23(18)39)12-14-9-15(27(30,31)32)11-16(10-14)28(33,34)35/h1-4,9-11,18,20,36H,5-8,12-13H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 3073-6 (2002)
BindingDB Entry DOI: 10.7270/Q23N25J3 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50217089
(CHEMBL317209)Show SMILES CN1C(=O)C2CN(Cc3cccs3)C3(CCN(CC3)C(=O)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)C2C1=O Show InChI InChI=1S/C25H23F6N3O3S/c1-32-21(36)18-13-34(12-17-3-2-8-38-17)23(19(18)22(32)37)4-6-33(7-5-23)20(35)14-9-15(24(26,27)28)11-16(10-14)25(29,30)31/h2-3,8-11,18-19H,4-7,12-13H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 513 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 3073-6 (2002)
BindingDB Entry DOI: 10.7270/Q23N25J3 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220518
(CHEMBL431974)Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCC2(CC1)NC(=O)N(CCc1c[nH]c3ccccc13)C2=O Show InChI InChI=1S/C26H22F6N4O3/c27-25(28,29)17-11-16(12-18(13-17)26(30,31)32)21(37)35-9-6-24(7-10-35)22(38)36(23(39)34-24)8-5-15-14-33-20-4-2-1-3-19(15)20/h1-4,11-14,33H,5-10H2,(H,34,39) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 575 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220513
(CHEMBL82065)Show SMILES CN1C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C2(CCN(CC2)C(=O)c2c(Cl)cccc2Cl)C1=O Show InChI InChI=1S/C24H19Cl2F6N3O3/c1-33-20(37)22(5-7-34(8-6-22)19(36)18-16(25)3-2-4-17(18)26)35(21(33)38)12-13-9-14(23(27,28)29)11-15(10-13)24(30,31)32/h2-4,9-11H,5-8,12H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 646 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this Ligand-Target Pair | |
Somatostatin receptor type 4
(Homo sapiens (Human)) | BDBM50370579
(CHEMBL1791305)Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2cnccn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@H](C)O Show InChI InChI=1S/C74H102N20O19S2/c1-39(77)62(100)82-35-59(99)83-56-37-114-115-38-57(74(112)113)92-70(108)55(36-95)91-73(111)61(41(3)97)94-69(107)51(29-43-18-8-5-9-19-43)90-72(110)60(40(2)96)93-64(102)49(23-13-15-25-76)84-66(104)52(30-44-33-81-47-21-11-10-20-46(44)47)87-67(105)53(31-45-34-79-26-27-80-45)88-65(103)50(28-42-16-6-4-7-17-42)86-68(106)54(32-58(78)98)89-63(101)48(85-71(56)109)22-12-14-24-75/h4-11,16-21,26-27,33-34,39-41,48-57,60-61,81,95-97H,12-15,22-25,28-32,35-38,75-77H2,1-3H3,(H2,78,98)(H,82,100)(H,83,99)(H,84,104)(H,85,109)(H,86,106)(H,87,105)(H,88,103)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t39-,40-,41-,48-,49+,50-,51-,52-,53+,54+,55-,56-,57-,60+,61+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of human somatostatin receptor type 4 |
J Med Chem 48: 4025-30 (2005)
Article DOI: 10.1021/jm058184l BindingDB Entry DOI: 10.7270/Q2736RP5 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50217093
(CHEMBL413383)Show SMILES COc1ccccc1C(=O)N1CC2C(C(=O)N(C)C2=O)C11CCN(CC1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H25F6N3O5/c1-35-23(39)19-14-37(24(40)18-5-3-4-6-20(18)42-2)26(21(19)25(35)41)7-9-36(10-8-26)22(38)15-11-16(27(29,30)31)13-17(12-15)28(32,33)34/h3-6,11-13,19,21H,7-10,14H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 3073-6 (2002)
BindingDB Entry DOI: 10.7270/Q23N25J3 |
More data for this Ligand-Target Pair | |
Somatostatin receptor type 2
(Homo sapiens (Human)) | BDBM50370579
(CHEMBL1791305)Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2cnccn2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CO)NC1=O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@H](C)O Show InChI InChI=1S/C74H102N20O19S2/c1-39(77)62(100)82-35-59(99)83-56-37-114-115-38-57(74(112)113)92-70(108)55(36-95)91-73(111)61(41(3)97)94-69(107)51(29-43-18-8-5-9-19-43)90-72(110)60(40(2)96)93-64(102)49(23-13-15-25-76)84-66(104)52(30-44-33-81-47-21-11-10-20-46(44)47)87-67(105)53(31-45-34-79-26-27-80-45)88-65(103)50(28-42-16-6-4-7-17-42)86-68(106)54(32-58(78)98)89-63(101)48(85-71(56)109)22-12-14-24-75/h4-11,16-21,26-27,33-34,39-41,48-57,60-61,81,95-97H,12-15,22-25,28-32,35-38,75-77H2,1-3H3,(H2,78,98)(H,82,100)(H,83,99)(H,84,104)(H,85,109)(H,86,106)(H,87,105)(H,88,103)(H,89,101)(H,90,110)(H,91,111)(H,92,108)(H,93,102)(H,94,107)(H,112,113)/t39-,40-,41-,48-,49+,50-,51-,52-,53+,54+,55-,56-,57-,60+,61+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL KEGG PC cid PC sid UniChem
Similars
| Article PubMed
| >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of human somatostatin receptor type 2 |
J Med Chem 48: 4025-30 (2005)
Article DOI: 10.1021/jm058184l BindingDB Entry DOI: 10.7270/Q2736RP5 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50217095
(CHEMBL105055)Show SMILES CC(=O)N1CCC2(CC1)C1C(CN2C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)N(C1=O)c1ccccc1 Show InChI InChI=1S/C27H23F6N3O4/c1-15(37)34-9-7-25(8-10-34)21-20(23(39)36(24(21)40)19-5-3-2-4-6-19)14-35(25)22(38)16-11-17(26(28,29)30)13-18(12-16)27(31,32)33/h2-6,11-13,20-21H,7-10,14H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 3073-6 (2002)
BindingDB Entry DOI: 10.7270/Q23N25J3 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220514
(CHEMBL82278)Show SMILES CN1C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C2(CCN(CC2)C(=O)c2ccccc2F)C1=O Show InChI InChI=1S/C24H20F7N3O3/c1-32-20(36)22(6-8-33(9-7-22)19(35)17-4-2-3-5-18(17)25)34(21(32)37)13-14-10-15(23(26,27)28)12-16(11-14)24(29,30)31/h2-5,10-12H,6-9,13H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220506
(CHEMBL86053)Show SMILES COc1ccc(cc1OC)N1CN(CC(=O)N2CCC3(CC2)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)N(C)C3=O)CC1=O Show InChI InChI=1S/C30H31F6N5O6/c1-37-26(44)28(41(27(37)45)14-18-10-19(29(31,32)33)12-20(11-18)30(34,35)36)6-8-39(9-7-28)24(42)15-38-16-25(43)40(17-38)21-4-5-22(46-2)23(13-21)47-3/h4-5,10-13H,6-9,14-17H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 2A
(Homo sapiens (Human)) | BDBM50395076
(CHEMBL2164243)Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 1.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Competitive inhibition of human KDM2A expressed in Escherichia coli using 2-oxoglutarate by enzyme kinetic assay |
J Med Chem 55: 6639-43 (2012)
Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220515
(CHEMBL82274)Show SMILES CCCCCCCCN1C(=O)NC2(CCN(CC2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O Show InChI InChI=1S/C24H29F6N3O3/c1-2-3-4-5-6-7-10-33-20(35)22(31-21(33)36)8-11-32(12-9-22)19(34)16-13-17(23(25,26)27)15-18(14-16)24(28,29)30/h13-15H,2-12H2,1H3,(H,31,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50217051
(CHEMBL432007)Show SMILES FC(F)(F)c1cc(CN2C(=O)C3CN(C(=O)COCc4ccccc4)C4(CCNCC4)C3C2=O)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H27F6N3O4/c29-27(30,31)19-10-18(11-20(12-19)28(32,33)34)13-36-24(39)21-14-37(22(38)16-41-15-17-4-2-1-3-5-17)26(23(21)25(36)40)6-8-35-9-7-26/h1-5,10-12,21,23,35H,6-9,13-16H2 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.29E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 3073-6 (2002)
BindingDB Entry DOI: 10.7270/Q23N25J3 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50217086
(CHEMBL102356)Show SMILES CC(=O)N1CCC2(CC1)C1C(CN2C(=O)COCc2ccccc2)C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O Show InChI InChI=1S/C30H29F6N3O5/c1-18(40)37-9-7-28(8-10-37)25-23(15-39(28)24(41)17-44-16-19-5-3-2-4-6-19)26(42)38(27(25)43)14-20-11-21(29(31,32)33)13-22(12-20)30(34,35)36/h2-6,11-13,23,25H,7-10,14-17H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 3073-6 (2002)
BindingDB Entry DOI: 10.7270/Q23N25J3 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220519
(CHEMBL82552)Show SMILES CN1C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C2(CCN(CC2)C(=O)CN2CCC(Cc3ccccc3)CC2)C1=O Show InChI InChI=1S/C31H34F6N4O3/c1-38-27(43)29(41(28(38)44)19-23-16-24(30(32,33)34)18-25(17-23)31(35,36)37)9-13-40(14-10-29)26(42)20-39-11-7-22(8-12-39)15-21-5-3-2-4-6-21/h2-6,16-18,22H,7-15,19-20H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| PubMed
| 3.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50217088
(CHEMBL102332)Show SMILES COc1ccc(cc1OC)C(=O)N1CC2C(C(=O)N(Cc3cc(cc(c3)C(F)(F)F)C(F)(F)F)C2=O)C11CCNCC1 Show InChI InChI=1S/C28H27F6N3O5/c1-41-20-4-3-16(11-21(20)42-2)23(38)37-14-19-22(26(37)5-7-35-8-6-26)25(40)36(24(19)39)13-15-9-17(27(29,30)31)12-18(10-15)28(32,33)34/h3-4,9-12,19,22,35H,5-8,13-14H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 4.27E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 3073-6 (2002)
BindingDB Entry DOI: 10.7270/Q23N25J3 |
More data for this Ligand-Target Pair | |
Lysine-specific demethylase 2A
(Homo sapiens (Human)) | BDBM50395076
(CHEMBL2164243)Show InChI InChI=1S/C6H12N2O3/c1-8(2)7-5(9)3-4-6(10)11/h3-4H2,1-2H3,(H,7,9)(H,10,11) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Similars
| Article PubMed
| 8.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Oxford
Curated by ChEMBL
| Assay Description Mixed type inhibition of human KDM2A expressed in Escherichia coli assessed inhibition constant for compound-enzyme-substrate complex using methyl ly... |
J Med Chem 55: 6639-43 (2012)
Article DOI: 10.1021/jm300677j BindingDB Entry DOI: 10.7270/Q2JH3N9S |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50336375
((S)-1-(4-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-be...)Show SMILES OC(=O)C1(CC1)Oc1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1 |r| Show InChI InChI=1S/C31H27ClF3N3O4/c32-19-8-6-18(7-9-19)28-36-25-15-21(33)22(34)16-26(25)38(28)27(17-4-2-1-3-5-17)29(39)37-24-11-10-20(14-23(24)35)42-31(12-13-31)30(40)41/h6-11,14-17,27H,1-5,12-13H2,(H,37,39)(H,40,41)/t27-/m0/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/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human FXR by scintillation proximity assay |
Bioorg Med Chem Lett 21: 1134-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.123 BindingDB Entry DOI: 10.7270/Q2MS3T1N |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50336376
((S)-4-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo...)Show SMILES OC(=O)c1cc(F)c(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(F)c1 |r| Show InChI InChI=1S/C28H22ClF4N3O3/c29-17-8-6-15(7-9-17)26-34-22-12-18(30)19(31)13-23(22)36(26)25(14-4-2-1-3-5-14)27(37)35-24-20(32)10-16(28(38)39)11-21(24)33/h6-14,25H,1-5H2,(H,35,37)(H,38,39)/t25-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human FXR by scintillation proximity assay |
Bioorg Med Chem Lett 21: 1134-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.123 BindingDB Entry DOI: 10.7270/Q2MS3T1N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50336378
((S)-2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo[d]...)Show SMILES Fc1cc2nc(-c3ccc(Cl)cc3)n([C@@H](C3CCCCC3)C(=O)Nc3ccc(cc3F)-c3nnn[nH]3)c2cc1F |r| Show InChI InChI=1S/C28H23ClF3N7O/c29-18-9-6-16(7-10-18)27-33-23-13-19(30)20(31)14-24(23)39(27)25(15-4-2-1-3-5-15)28(40)34-22-11-8-17(12-21(22)32)26-35-37-38-36-26/h6-15,25H,1-5H2,(H,34,40)(H,35,36,37,38)/t25-/m0/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/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human FXR by scintillation proximity assay |
Bioorg Med Chem Lett 21: 1134-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.123 BindingDB Entry DOI: 10.7270/Q2MS3T1N |
More data for this Ligand-Target Pair | |
Bile acid receptor
(Homo sapiens (Human)) | BDBM50336377
((S)-4-(2-(2-(4-chlorophenyl)-5,6-difluoro-1H-benzo...)Show SMILES OC(=O)c1ccc(NC(=O)[C@H](C2CCCCC2)n2c(nc3cc(F)c(F)cc23)-c2ccc(Cl)cc2)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C29H23ClF5N3O3/c30-18-9-6-16(7-10-18)26-36-23-13-20(31)21(32)14-24(23)38(26)25(15-4-2-1-3-5-15)27(39)37-22-11-8-17(28(40)41)12-19(22)29(33,34)35/h6-15,25H,1-5H2,(H,37,39)(H,40,41)/t25-/m0/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/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd
Curated by ChEMBL
| Assay Description Displacement of radioligand from human FXR by scintillation proximity assay |
Bioorg Med Chem Lett 21: 1134-40 (2011)
Article DOI: 10.1016/j.bmcl.2010.12.123 BindingDB Entry DOI: 10.7270/Q2MS3T1N |
More data for this Ligand-Target Pair | |