Found 130 hits with Last Name = 'kramer' and Initial = 'nj' 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 |
|---|
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615811
(CHEMBL5272869)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(N3CCC3)c(Cl)cc2c1 |r,wU:7.10,wD:4.3,(8.38,4.12,;7.6,2.78,;6.83,4.12,;8.94,2.01,;6.27,2.01,;4.94,2.78,;3.6,2.01,;3.6,.47,;4.94,-.3,;6.27,.47,;2.27,-.3,;.94,.47,;.94,2.01,;-.4,-.3,;-.4,-1.84,;-1.73,-2.6,;-3.06,-1.83,;-4.38,-2.6,;-5.71,-1.84,;-7.05,-2.61,;-7.45,-4.12,;-8.94,-3.72,;-8.53,-2.21,;-5.71,-.31,;-7.05,.46,;-4.4,.46,;-3.06,-.3,;-1.74,.48,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615823
(CHEMBL5289520)Show SMILES C[C@H]1CCN1c1nc2ncc(cc2cc1Cl)C(=O)N[C@H]1C[C@@H](C1)C(C)(C)O |r,wU:19.21,wD:21.26,1.0,(-8.73,-.66,;-7.96,-1.99,;-8.37,-3.51,;-6.88,-3.91,;-6.48,-2.39,;-5.14,-1.62,;-3.81,-2.39,;-2.49,-1.62,;-1.16,-2.39,;.17,-1.62,;.17,-.08,;-1.17,.69,;-2.49,-.09,;-3.83,.68,;-5.14,-.1,;-6.48,.67,;1.51,.69,;1.51,2.23,;2.84,-.08,;4.17,.69,;4.58,2.2,;6.07,1.8,;5.66,.29,;7.4,2.57,;8.17,3.91,;6.63,3.91,;8.73,1.8,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615812
(CHEMBL5289730)Show SMILES C[C@H]1CCN1c1nc2ncc(cc2cc1Cl)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:19.21,wD:1.0,22.28,(-9.12,-.87,;-8.35,-2.21,;-8.76,-3.72,;-7.27,-4.12,;-6.86,-2.61,;-5.53,-1.84,;-4.2,-2.6,;-2.88,-1.83,;-1.55,-2.6,;-.21,-1.84,;-.21,-.3,;-1.55,.48,;-2.88,-.3,;-4.22,.46,;-5.53,-.31,;-6.86,.46,;1.12,.47,;1.12,2.01,;2.45,-.3,;3.79,.47,;3.79,2.01,;5.12,2.78,;6.45,2.01,;6.45,.47,;5.12,-.3,;7.79,2.78,;8.56,4.12,;7.02,4.12,;9.12,2.01,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615797
(CHEMBL5282861)Show SMILES CC(C)(O)[C@H]1C[C@@H](C1)NC(=O)c1cnc2nc(C3CC3)c(Cl)cc2c1 |r,wU:6.8,wD:4.3,(7.82,3.82,;7.05,2.48,;6.28,3.82,;8.39,1.71,;5.72,1.71,;4.23,2.11,;3.83,.6,;5.31,.2,;2.49,-.18,;1.16,.59,;1.16,2.13,;-.18,-.18,;-.18,-1.71,;-1.51,-2.48,;-2.84,-1.71,;-4.18,-2.48,;-5.51,-1.71,;-6.84,-2.48,;-7.62,-3.82,;-8.39,-2.48,;-5.51,-.18,;-6.84,.59,;-4.18,.59,;-2.84,-.18,;-1.51,.59,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615775
(CHEMBL5279860)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(ncc2c1)N1CCC1 |r,wU:7.10,wD:4.3,(6.84,4.12,;7.61,2.78,;8.38,4.12,;8.94,2.01,;6.27,2.01,;4.94,2.78,;3.6,2.01,;3.6,.47,;4.94,-.3,;6.27,.47,;2.27,-.3,;.94,.47,;.94,2.01,;-.4,-.3,;-.4,-1.84,;-1.73,-2.6,;-3.06,-1.83,;-4.38,-2.6,;-5.71,-1.84,;-5.71,-.31,;-4.4,.46,;-3.06,-.3,;-1.74,.48,;-7.05,-2.61,;-8.53,-2.21,;-8.94,-3.72,;-7.45,-4.12,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615791
(CHEMBL5275536)Show SMILES CC(C)(O)[C@H]1CC2(C[C@@H](C2)NC(=O)c2cnc3nc(ccc3c2)C2CC2)C1 |r,wU:8.10,wD:4.3,(8.76,4.37,;7.99,3.04,;7.22,4.37,;9.32,2.27,;6.66,2.27,;5.17,2.67,;4.76,1.15,;3.27,1.55,;2.87,.04,;4.36,-.36,;1.54,-.73,;.2,.04,;.2,1.58,;-1.13,-.73,;-1.13,-2.27,;-2.46,-3.04,;-3.8,-2.27,;-5.12,-3.03,;-6.45,-2.27,;-6.45,-.75,;-5.13,.03,;-3.8,-.74,;-2.47,.04,;-7.78,-3.04,;-8.55,-4.37,;-9.32,-3.04,;6.25,.75,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615779
(CHEMBL5285125)Show SMILES C[C@H]1CCN1c1ccc2cc(cnc2n1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:18.20,wD:1.0,21.27,(-9.12,-.87,;-8.35,-2.21,;-8.76,-3.72,;-7.27,-4.12,;-6.86,-2.61,;-5.53,-1.84,;-5.53,-.31,;-4.22,.46,;-2.88,-.3,;-1.55,.48,;-.21,-.3,;-.21,-1.84,;-1.54,-2.6,;-2.88,-1.83,;-4.2,-2.6,;1.12,.47,;1.12,2.01,;2.45,-.3,;3.79,.47,;3.79,2.01,;5.12,2.78,;6.45,2.01,;6.45,.47,;5.12,-.3,;7.79,2.78,;7.02,4.12,;8.56,4.12,;9.12,2.01,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615795
(CHEMBL5279371)Show SMILES C[C@H]1CCN1c1nc2ncc(cc2cc1Cl)C(=O)N[C@H]1CC[C@](C)(O)CC1 |r,wU:19.21,wD:22.26,1.0,(-8.57,-.49,;-7.8,-1.82,;-8.2,-3.33,;-6.72,-3.73,;-6.31,-2.22,;-4.98,-1.45,;-3.64,-2.22,;-2.31,-1.45,;-.98,-2.22,;.36,-1.45,;.36,.09,;-.98,.86,;-2.31,.09,;-3.64,.86,;-4.98,.09,;-6.31,.86,;1.69,.86,;1.69,2.4,;3.02,.09,;4.36,.86,;4.36,2.4,;5.69,3.17,;7.03,2.4,;8.57,2.4,;7.8,3.73,;7.03,.86,;5.69,.09,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615800
(CHEMBL5266142)Show SMILES Clc1cc2cc(cnc2nc1C1CC1)C(=O)N[C@H]1CCNC1=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615813
(CHEMBL5269778)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(C3CC3)c(Cl)cc2c1 |r,wU:7.10,wD:4.3,(8.2,4.03,;7.43,2.69,;6.66,4.03,;8.76,1.92,;6.1,1.92,;4.76,2.69,;3.43,1.92,;3.43,.38,;4.76,-.39,;6.1,.38,;2.1,-.39,;.76,.38,;.76,1.92,;-.57,-.39,;-.57,-1.93,;-1.9,-2.69,;-3.24,-1.92,;-4.56,-2.69,;-5.89,-1.93,;-7.22,-2.7,;-7.99,-4.03,;-8.76,-2.7,;-5.89,-.4,;-7.22,.37,;-4.57,.37,;-3.24,-.39,;-1.91,.39,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615802
(CHEMBL5269001)Show SMILES C[C@H]1CCN1c1cc2ncc(cc2cn1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:18.20,wD:1.0,21.27,(-9.12,-.87,;-8.35,-2.21,;-8.76,-3.72,;-7.27,-4.12,;-6.86,-2.61,;-5.53,-1.84,;-4.2,-2.6,;-2.88,-1.83,;-1.55,-2.6,;-.21,-1.84,;-.21,-.3,;-1.55,.48,;-2.88,-.3,;-4.22,.46,;-5.53,-.31,;1.12,.47,;1.12,2.01,;2.45,-.3,;3.79,.47,;3.79,2.01,;5.12,2.78,;6.45,2.01,;6.45,.47,;5.12,-.3,;7.79,2.78,;8.56,4.12,;7.02,4.12,;9.12,2.01,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615792
(CHEMBL5279720)Show SMILES CC(C)(O)C1CC2(C[C@@H](C2)NC(=O)c2cnc3nc(ccc3c2)C2CC2)C1 |r,wU:8.10,(7.22,4.37,;7.99,3.04,;8.76,4.37,;9.32,2.27,;6.66,2.27,;5.17,2.67,;4.76,1.15,;3.27,1.55,;2.87,.04,;4.36,-.36,;1.54,-.73,;.2,.04,;.2,1.58,;-1.13,-.73,;-1.13,-2.27,;-2.46,-3.04,;-3.8,-2.27,;-5.12,-3.03,;-6.45,-2.27,;-6.45,-.75,;-5.13,.03,;-3.8,-.74,;-2.47,.04,;-7.78,-3.04,;-8.55,-4.37,;-9.32,-3.04,;6.25,.75,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 4.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615825
(CHEMBL5266618)Show SMILES C[C@H]1CCN1c1nc2ncc(cc2cc1Cl)C(=O)N[C@H]1C[C@@](C)(O)C1 |r,wU:19.21,21.25,wD:1.0,(-8.17,-.27,;-7.4,-1.61,;-7.81,-3.12,;-6.32,-3.52,;-5.91,-2.01,;-4.58,-1.24,;-3.25,-2,;-1.93,-1.23,;-.6,-2,;.74,-1.24,;.74,.3,;-.6,1.08,;-1.93,.3,;-3.27,1.06,;-4.58,.29,;-5.91,1.06,;2.07,1.07,;2.07,2.61,;3.4,.3,;4.74,1.07,;5.14,2.58,;6.63,2.19,;7.4,3.52,;8.17,2.19,;6.22,.67,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615824
(CHEMBL5278680)Show SMILES C[C@H]1CCN1c1nc2ncc(cc2cc1Cl)C(=O)N[C@H]1C[C@](C)(O)C1 |r,wU:19.21,wD:21.25,1.0,(-8.17,-.27,;-7.4,-1.61,;-7.81,-3.12,;-6.32,-3.52,;-5.91,-2.01,;-4.58,-1.24,;-3.25,-2,;-1.93,-1.23,;-.6,-2,;.74,-1.24,;.74,.3,;-.6,1.08,;-1.93,.3,;-3.27,1.06,;-4.58,.29,;-5.91,1.06,;2.07,1.07,;2.07,2.61,;3.4,.3,;4.74,1.07,;5.14,2.58,;6.63,2.19,;8.17,2.19,;7.4,3.52,;6.22,.67,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615796
(CHEMBL5267588)Show SMILES C[C@H]1CCN1c1nc2ncc(cc2cc1Cl)C(=O)N[C@H]1CCNC1=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615778
(CHEMBL5283521)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(ccc2c1)N1CCC1 |r,wU:7.10,wD:4.3,(6.84,4.12,;7.61,2.78,;8.38,4.12,;8.94,2.01,;6.27,2.01,;4.94,2.78,;3.6,2.01,;3.6,.47,;4.94,-.3,;6.27,.47,;2.27,-.3,;.94,.47,;.94,2.01,;-.4,-.3,;-.4,-1.84,;-1.73,-2.6,;-3.06,-1.83,;-4.38,-2.6,;-5.71,-1.84,;-5.71,-.31,;-4.4,.46,;-3.06,-.3,;-1.74,.48,;-7.05,-2.61,;-8.53,-2.21,;-8.94,-3.72,;-7.45,-4.12,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615782
(CHEMBL5282228)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(ncc2c1)C1CC1 |r,wU:7.10,wD:4.3,(6.66,4.03,;7.43,2.69,;8.2,4.03,;8.76,1.92,;6.1,1.92,;4.76,2.69,;3.43,1.92,;3.43,.38,;4.76,-.39,;6.1,.38,;2.09,-.39,;.76,.38,;.76,1.92,;-.57,-.39,;-.57,-1.93,;-1.9,-2.69,;-3.24,-1.92,;-4.56,-2.69,;-5.89,-1.93,;-5.89,-.4,;-4.57,.37,;-3.24,-.39,;-1.91,.39,;-7.22,-2.7,;-8.76,-2.7,;-7.99,-4.03,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615798
(CHEMBL5273656)Show SMILES C[C@]1(O)C[C@@H](C1)NC(=O)c1cnc2nc(C3CC3)c(Cl)cc2c1 |r,wU:4.6,wD:1.1,(7.82,2.1,;6.28,2.1,;7.05,3.43,;4.79,2.49,;4.39,.98,;5.88,.58,;3.05,.21,;1.72,.98,;1.72,2.52,;.39,.21,;.39,-1.33,;-.95,-2.1,;-2.28,-1.33,;-3.61,-2.1,;-4.95,-1.33,;-6.28,-2.1,;-7.05,-3.43,;-7.82,-2.1,;-4.95,.21,;-6.28,.98,;-3.61,.98,;-2.28,.21,;-.95,.98,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615810
(CHEMBL5277213)Show SMILES COc1nc2ncc(cc2cc1Cl)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:16.17,wD:19.24,(-8.66,-2.59,;-7.33,-3.36,;-5.99,-2.59,;-4.66,-3.36,;-3.34,-2.59,;-2.01,-3.36,;-.68,-2.59,;-.68,-1.05,;-2.02,-.28,;-3.34,-1.06,;-4.68,-.29,;-5.99,-1.07,;-7.33,-.3,;.66,-.28,;.66,1.26,;1.99,-1.05,;3.32,-.28,;3.32,1.26,;4.66,2.03,;5.99,1.26,;5.99,-.28,;4.66,-1.05,;7.33,2.03,;8.1,3.36,;6.56,3.36,;8.66,1.26,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615799
(CHEMBL5268479)Show SMILES C[C@@]1(O)C[C@@H](C1)NC(=O)c1cnc2nc(C3CC3)c(Cl)cc2c1 |r,wU:1.1,4.6,(7.05,3.43,;6.28,2.1,;7.82,2.1,;4.79,2.5,;4.39,.98,;5.88,.58,;3.05,.21,;1.72,.98,;1.72,2.52,;.39,.21,;.39,-1.33,;-.95,-2.1,;-2.28,-1.33,;-3.61,-2.1,;-4.95,-1.33,;-6.28,-2.1,;-7.05,-3.43,;-7.82,-2.1,;-4.95,.21,;-6.28,.98,;-3.61,.98,;-2.28,.21,;-.95,.98,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615808
(CHEMBL5289474)Show SMILES CC(C)c1ccc2cc(cnc2n1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:16.17,wD:19.24,(-7.33,-4.13,;-7.33,-2.59,;-8.66,-1.82,;-5.99,-1.82,;-5.99,-.3,;-4.68,.48,;-3.34,-.29,;-2.02,.49,;-.68,-.28,;-.68,-1.82,;-2.01,-2.59,;-3.34,-1.82,;-4.66,-2.59,;.66,.49,;.66,2.03,;1.99,-.28,;3.32,.49,;3.32,2.03,;4.66,2.8,;5.99,2.03,;5.99,.49,;4.66,-.28,;7.33,2.8,;8.1,4.13,;6.56,4.13,;8.66,2.03,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 8.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615780
(CHEMBL5285108)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(ccc2c1)C1CC1 |r,wU:7.10,wD:4.3,(6.66,4.03,;7.43,2.69,;8.2,4.03,;8.76,1.92,;6.1,1.92,;4.76,2.69,;3.43,1.92,;3.43,.38,;4.76,-.39,;6.1,.38,;2.1,-.39,;.76,.38,;.76,1.92,;-.57,-.39,;-.57,-1.93,;-1.9,-2.69,;-3.24,-1.92,;-4.56,-2.69,;-5.89,-1.93,;-5.89,-.4,;-4.57,.37,;-3.24,-.39,;-1.91,.39,;-7.22,-2.7,;-7.99,-4.03,;-8.76,-2.7,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| PDB
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50526485
(CHEMBL4473072)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(OC(F)F)ccc2c1 |r,wU:7.10,wD:4.3,(19.66,-11.66,;20.44,-13,;21.21,-11.66,;21.78,-13.76,;19.12,-13.78,;17.78,-13.01,;16.44,-13.79,;16.46,-15.32,;17.8,-16.09,;19.12,-15.32,;15.13,-16.1,;13.79,-15.34,;13.78,-13.8,;12.47,-16.12,;12.48,-17.67,;11.14,-18.44,;9.81,-17.68,;8.47,-18.45,;7.14,-17.68,;5.81,-18.45,;4.47,-17.68,;3.14,-18.45,;4.48,-16.14,;7.14,-16.14,;8.47,-15.37,;9.81,-16.13,;11.13,-15.36,)| Show InChI InChI=1S/C20H24F2N2O3/c1-20(2,26)14-4-6-15(7-5-14)24-18(25)13-9-12-3-8-16(27-19(21)22)10-17(12)23-11-13/h3,8-11,14-15,19,26H,4-7H2,1-2H3,(H,24,25)/t14-,15- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
| n/a | n/a | 9.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615809
(CHEMBL5288532)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(ccc2c1)C1CCC1 |r,wU:7.10,wD:4.3,(8.38,4.12,;7.6,2.78,;6.83,4.12,;8.94,2.01,;6.27,2.01,;4.94,2.78,;3.6,2.01,;3.6,.47,;4.94,-.3,;6.27,.47,;2.27,-.3,;.94,.47,;.94,2.01,;-.4,-.3,;-.4,-1.84,;-1.73,-2.6,;-3.06,-1.83,;-4.38,-2.6,;-5.71,-1.84,;-5.71,-.31,;-4.4,.46,;-3.06,-.3,;-1.74,.48,;-7.04,-2.61,;-8.53,-2.21,;-8.94,-3.72,;-7.45,-4.12,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615794
(CHEMBL5290809)Show SMILES CC(N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(ccc2c1)C1CC1)C(F)F |r,wU:6.9,wD:3.2,(7.44,.28,;7.44,1.82,;6.11,2.59,;4.77,1.82,;3.44,2.59,;2.1,1.82,;2.1,.28,;3.44,-.49,;4.77,.28,;.77,-.49,;-.57,.28,;-.57,1.82,;-1.9,-.49,;-1.9,-2.03,;-3.23,-2.8,;-4.57,-2.03,;-5.9,-2.8,;-7.24,-2.03,;-7.24,-.49,;-5.9,.28,;-4.57,-.49,;-3.23,.28,;-8.57,-2.8,;-9.34,-4.13,;-10.11,-2.8,;8.77,2.59,;8.77,4.13,;10.11,1.82,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615784
(CHEMBL5284902)Show SMILES O=C(N[C@H]1CCNC1=O)c1cnc2cc(ncc2c1)N1CCC1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615781
(CHEMBL5275367)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(ncc2c1)N1CCC1 |r,wU:7.10,wD:4.3,(6.83,4.12,;7.6,2.78,;8.38,4.12,;8.94,2.01,;6.27,2.01,;4.94,2.78,;3.6,2.01,;3.6,.47,;4.94,-.3,;6.27,.47,;2.27,-.3,;.94,.47,;.94,2.01,;-.4,-.3,;-.4,-1.84,;-1.73,-2.6,;-3.06,-1.83,;-4.38,-2.6,;-5.71,-1.84,;-5.71,-.31,;-4.4,.46,;-3.06,-.3,;-1.74,.48,;-7.04,-2.61,;-7.45,-4.12,;-8.94,-3.72,;-8.53,-2.21,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615776
(CHEMBL5278530)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(ncc2c1)N1CC(F)C1 |r,wU:7.10,wD:4.3,(7.5,4.3,;8.27,2.97,;9.04,4.3,;9.6,2.2,;6.94,2.2,;5.6,2.97,;4.27,2.2,;4.27,.66,;5.6,-.11,;6.94,.66,;2.94,-.11,;1.6,.66,;1.6,2.2,;.27,-.11,;.27,-1.65,;-1.06,-2.42,;-2.4,-1.65,;-3.72,-2.41,;-5.05,-1.65,;-5.05,-.13,;-3.73,.65,;-2.4,-.12,;-1.07,.66,;-6.38,-2.42,;-6.78,-3.93,;-8.27,-3.53,;-9.6,-4.3,;-7.87,-2.02,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615804
(CHEMBL5283710)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(ccc2c1)N1CC(F)C1 |r,wU:7.10,wD:4.3,(9.04,4.3,;8.27,2.97,;7.5,4.3,;9.61,2.2,;6.94,2.2,;5.6,2.97,;4.27,2.2,;4.27,.66,;5.6,-.11,;6.94,.66,;2.94,-.11,;1.6,.66,;1.6,2.2,;.27,-.11,;.27,-1.65,;-1.06,-2.42,;-2.4,-1.65,;-3.72,-2.41,;-5.05,-1.65,;-5.05,-.13,;-3.73,.65,;-2.4,-.12,;-1.07,.66,;-6.38,-2.42,;-6.78,-3.93,;-8.27,-3.53,;-9.61,-4.3,;-7.87,-2.02,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615777
(CHEMBL5271855)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(ncc2c1)C1CC1 |r,wU:7.10,wD:4.3,(6.66,4.03,;7.43,2.69,;8.2,4.03,;8.76,1.92,;6.1,1.92,;4.76,2.69,;3.43,1.92,;3.43,.38,;4.76,-.39,;6.1,.38,;2.1,-.39,;.76,.38,;.76,1.92,;-.57,-.39,;-.57,-1.93,;-1.9,-2.69,;-3.24,-1.92,;-4.56,-2.69,;-5.89,-1.93,;-5.89,-.4,;-4.57,.37,;-3.24,-.39,;-1.91,.39,;-7.22,-2.7,;-7.99,-4.03,;-8.76,-2.7,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615822
(CHEMBL5266974)Show SMILES FC1(F)CN(C1)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(ccc2c1)C1CC1 |r,wU:9.13,wD:6.6,(9.82,3.25,;8.27,3.25,;9.04,4.58,;7.87,1.74,;6.38,2.14,;6.78,3.65,;5.05,1.37,;3.71,2.14,;2.38,1.37,;2.38,-.17,;3.71,-.94,;5.05,-.17,;1.04,-.94,;-.29,-.17,;-.29,1.37,;-1.62,-.94,;-1.62,-2.48,;-2.95,-3.25,;-4.29,-2.48,;-5.61,-3.24,;-6.94,-2.48,;-6.94,-.96,;-5.63,-.18,;-4.29,-.95,;-2.96,-.17,;-8.27,-3.25,;-9.82,-3.25,;-9.04,-4.58,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615816
(CHEMBL5288898)Show SMILES FC1(F)CN(C1)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(ncc2c1)C1CC1 |r,wU:9.13,wD:6.6,(9.81,3.25,;8.27,3.25,;9.04,4.58,;7.87,1.74,;6.38,2.14,;6.78,3.65,;5.05,1.37,;3.71,2.14,;2.38,1.37,;2.38,-.17,;3.71,-.94,;5.05,-.17,;1.04,-.94,;-.29,-.17,;-.29,1.37,;-1.62,-.94,;-1.62,-2.48,;-2.95,-3.25,;-4.29,-2.48,;-5.61,-3.24,;-6.94,-2.48,;-6.94,-.96,;-5.62,-.18,;-4.29,-.95,;-2.96,-.17,;-8.27,-3.25,;-9.81,-3.25,;-9.04,-4.58,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615793
(CHEMBL5280247)Show SMILES CC(C)(O)[C@@]12C[C@@](C1)(C2)NC(=O)c1cnc2nc(ccc2c1)C1CC1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50526529
(CHEMBL4483631)Show SMILES COc1ccc2cc(cnc2c1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:15.16,wD:18.23,(62.72,-30.6,;64.05,-31.37,;65.39,-30.6,;65.39,-29.06,;66.72,-28.29,;68.05,-29.05,;69.38,-28.28,;70.71,-29.04,;70.72,-30.59,;69.39,-31.36,;68.05,-30.6,;66.72,-31.37,;72.04,-28.26,;72.02,-26.72,;73.38,-29.02,;74.7,-28.24,;74.68,-26.71,;76.01,-25.93,;77.35,-26.69,;77.36,-28.23,;76.04,-29.01,;78.68,-25.91,;77.91,-24.57,;79.45,-24.57,;80.02,-26.68,)| Show InChI InChI=1S/C20H26N2O3/c1-20(2,24)15-5-7-16(8-6-15)22-19(23)14-10-13-4-9-17(25-3)11-18(13)21-12-14/h4,9-12,15-16,24H,5-8H2,1-3H3,(H,22,23)/t15-,16- | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615773
(CHEMBL5274762)Show SMILES COc1ccc2cc(cnc2n1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:15.16,wD:18.23,(-8.66,-2.59,;-7.33,-3.36,;-5.99,-2.59,;-5.99,-1.07,;-4.68,-.29,;-3.34,-1.06,;-2.02,-.28,;-.68,-1.05,;-.68,-2.59,;-2.01,-3.36,;-3.34,-2.59,;-4.66,-3.36,;.66,-.28,;.66,1.26,;1.99,-1.05,;3.32,-.28,;3.32,1.26,;4.66,2.03,;5.99,1.26,;5.99,-.28,;4.66,-1.05,;7.33,2.03,;6.56,3.36,;8.1,3.36,;8.66,1.26,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615788
(CHEMBL5272443)Show SMILES OC[C@@H](N[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(ncc2c1)C1CC1)C(F)(F)F |r,wU:7.10,wD:4.3,2.29,(10.1,2.59,;8.76,3.36,;7.43,2.59,;6.1,3.36,;4.76,2.59,;3.43,3.36,;2.1,2.59,;2.1,1.05,;3.43,.28,;4.76,1.05,;.76,.28,;-.57,1.05,;-.57,2.59,;-1.91,.28,;-1.91,-1.26,;-3.24,-2.03,;-4.57,-1.26,;-5.89,-2.02,;-7.22,-1.26,;-7.22,.27,;-5.91,1.04,;-4.57,.28,;-3.24,1.05,;-8.56,-2.03,;-9.33,-3.36,;-10.1,-2.03,;7.43,1.05,;8.76,.28,;6.1,.28,;7.43,-.49,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615789
(CHEMBL5290969)Show SMILES FC1CN(C1)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2cc(ncc2c1)C1CC1 |r,wU:8.12,wD:5.5,(9.71,4.3,;8.38,3.53,;7.97,2.02,;6.48,2.42,;6.89,3.93,;5.15,1.65,;3.82,2.42,;2.48,1.65,;2.48,.11,;3.82,-.66,;5.15,.11,;1.15,-.66,;-.18,.11,;-.18,1.65,;-1.52,-.66,;-1.52,-2.2,;-2.85,-2.97,;-4.19,-2.2,;-5.51,-2.96,;-6.83,-2.2,;-6.83,-.68,;-5.52,.1,;-4.19,-.67,;-2.86,.11,;-8.17,-2.97,;-8.94,-4.3,;-9.71,-2.97,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615790
(CHEMBL5283878)Show SMILES CC(C)(O)[C@H]1C[C@@H](C1)NC(=O)c1cnc2nc(ccc2c1)C1CC1 |r,wU:6.8,wD:4.3,(7.81,3.82,;7.04,2.48,;6.27,3.82,;8.38,1.71,;5.71,1.71,;4.22,2.11,;3.82,.6,;5.3,.2,;2.48,-.17,;1.15,.6,;1.15,2.14,;-.18,-.17,;-.18,-1.71,;-1.52,-2.48,;-2.85,-1.71,;-4.17,-2.48,;-5.5,-1.71,;-5.5,-.19,;-4.19,.59,;-2.85,-.18,;-1.52,.6,;-6.83,-2.48,;-8.38,-2.48,;-7.61,-3.82,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615785
(CHEMBL5274007)Show SMILES C[C@H]1CCN1c1cc2ncc(cc2cn1)C(=O)N[C@H]1CCNC1=O |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615814
(CHEMBL5282346)Show SMILES CC(C)(O)[C@@]12C[C@@](C1)(C2)NC(=O)c1cnc2cc(ncc2c1)C1CC1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615821
(CHEMBL5282999)Show SMILES O=C(N[C@H]1CCNC1=O)c1cnc2nc(ccc2c1)C1CC1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615771
(CHEMBL5276706)Show SMILES COc1cc2ncc(cc2cn1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:15.16,wD:18.23,(-8.66,-2.59,;-7.33,-3.36,;-5.99,-2.59,;-4.66,-3.36,;-3.34,-2.59,;-2.01,-3.36,;-.68,-2.59,;-.68,-1.05,;-2.02,-.28,;-3.34,-1.06,;-4.68,-.29,;-5.99,-1.07,;.66,-.28,;.66,1.26,;1.99,-1.05,;3.32,-.28,;3.32,1.26,;4.66,2.03,;5.99,1.26,;5.99,-.28,;4.66,-1.05,;7.33,2.03,;6.56,3.36,;8.1,3.36,;8.66,1.26,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615783
(CHEMBL5284347)Show SMILES C[C@@]1(O)C[C@@H](C1)NC(=O)c1cnc2cc(ncc2c1)N1CCC1 |r,wU:4.6,1.1,(7.22,3.52,;6.45,2.19,;7.99,2.19,;4.96,2.58,;4.55,1.07,;6.04,.67,;3.22,.3,;1.89,1.07,;1.89,2.61,;.55,.3,;.55,-1.24,;-.78,-2,;-2.11,-1.23,;-3.43,-2,;-4.76,-1.24,;-4.76,.29,;-3.45,1.06,;-2.11,.3,;-.79,1.08,;-6.1,-2.01,;-6.5,-3.52,;-7.99,-3.12,;-7.58,-1.61,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615786
(CHEMBL5289296)Show SMILES CC(C)(O)[C@H]1C[C@@H](C1)NC(=O)c1cnc2cc(ncc2c1)C1CC1 |r,wU:6.8,wD:4.3,(7.81,3.82,;7.04,2.48,;6.27,3.82,;8.38,1.71,;5.71,1.71,;4.22,2.11,;3.82,.6,;5.3,.2,;2.48,-.17,;1.15,.6,;1.15,2.14,;-.18,-.17,;-.18,-1.71,;-1.52,-2.48,;-2.85,-1.71,;-4.17,-2.48,;-5.5,-1.71,;-5.5,-.19,;-4.19,.59,;-2.85,-.18,;-1.52,.6,;-6.83,-2.48,;-7.61,-3.82,;-8.38,-2.48,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 65 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615818
(CHEMBL5272062)Show SMILES O=C(N[C@H]1CCNC1=O)c1cnc2nc(ccc2c1)N1CCC1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 71 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615787
(CHEMBL5270752)Show SMILES O=C(N[C@H]1CCNC1=O)c1cnc2cc(ncc2c1)C1CC1 |r| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615817
(CHEMBL5266934)Show SMILES C[C@@]1(O)C[C@@H](C1)NC(=O)c1cnc2nc(ccc2c1)N1CCC1 |r,wU:4.6,1.1,(7.22,3.52,;6.45,2.19,;7.99,2.19,;4.96,2.58,;4.55,1.07,;6.04,.67,;3.22,.3,;1.89,1.07,;1.89,2.61,;.55,.3,;.55,-1.24,;-.78,-2,;-2.11,-1.23,;-3.43,-2,;-4.76,-1.24,;-4.76,.29,;-3.45,1.06,;-2.11,.3,;-.79,1.08,;-6.1,-2.01,;-7.58,-1.61,;-7.99,-3.12,;-6.5,-3.52,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615774
(CHEMBL5273807)Show SMILES COc1ncc2cc(cnc2n1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:15.16,wD:18.23,(-8.66,-2.59,;-7.32,-3.36,;-5.99,-2.59,;-5.99,-1.07,;-4.68,-.29,;-3.34,-1.06,;-2.02,-.28,;-.68,-1.05,;-.68,-2.59,;-2.01,-3.36,;-3.34,-2.59,;-4.66,-3.36,;.66,-.28,;.66,1.26,;1.99,-1.05,;3.32,-.28,;3.32,1.26,;4.66,2.03,;5.99,1.26,;5.99,-.28,;4.66,-1.05,;7.32,2.03,;6.55,3.36,;8.1,3.36,;8.66,1.26,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615807
(CHEMBL5290285)Show SMILES CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc2nc(NCC(F)F)ccc2c1 |r,wU:7.10,wD:4.3,(9.43,4.13,;8.66,2.8,;7.89,4.13,;9.99,2.03,;7.33,2.03,;5.99,2.8,;4.66,2.03,;4.66,.49,;5.99,-.28,;7.33,.49,;3.32,-.28,;1.99,.49,;1.99,2.03,;.66,-.28,;.66,-1.82,;-.67,-2.59,;-2.01,-1.82,;-3.33,-2.59,;-4.66,-1.82,;-5.99,-2.59,;-7.33,-1.82,;-8.66,-2.59,;-8.66,-4.13,;-9.99,-1.82,;-4.66,-.3,;-3.34,.48,;-2.01,-.29,;-.68,.49,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human)) | BDBM50615801
(CHEMBL5274174)Show SMILES C[C@@H]1CCN1c1cc2ncc(cc2cn1)C(=O)N[C@H]1CC[C@@H](CC1)C(C)(C)O |r,wU:1.0,18.20,wD:21.27,(-9.12,-.87,;-8.35,-2.21,;-8.76,-3.72,;-7.27,-4.12,;-6.86,-2.61,;-5.53,-1.84,;-4.2,-2.6,;-2.88,-1.83,;-1.54,-2.6,;-.21,-1.84,;-.21,-.3,;-1.55,.48,;-2.88,-.3,;-4.22,.46,;-5.53,-.31,;1.12,.47,;1.12,2.01,;2.45,-.3,;3.79,.47,;3.79,2.01,;5.12,2.78,;6.45,2.01,;6.45,.47,;5.12,-.3,;7.79,2.78,;8.56,4.12,;7.02,4.12,;9.12,2.01,)| | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
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