Found 684 hits with Last Name = 'goossens' and Initial = 'l' 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 |
|---|
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421552
(CHEMBL108200)Show SMILES COc1cccc(c1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C22H24F6N2O2/c1-31-19-4-2-3-16(11-19)20(30-7-5-29-6-8-30)14-32-13-15-9-17(21(23,24)25)12-18(10-15)22(26,27)28/h2-4,9-12,20,29H,5-8,13-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000240
(CHEMBL435796)Show SMILES Cc1ccccc1C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C22H24F6N2O/c1-15-4-2-3-5-19(15)20(30-8-6-29-7-9-30)14-31-13-16-10-17(21(23,24)25)12-18(11-16)22(26,27)28/h2-5,10-12,20,29H,6-9,13-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000241
(CHEMBL138824)Show SMILES C[C@H](OC[C@@H](N1CCN(CCOCC(O)=O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H30F6N2O4/c1-18(20-13-21(25(27,28)29)15-22(14-20)26(30,31)32)38-16-23(19-5-3-2-4-6-19)34-9-7-33(8-10-34)11-12-37-17-24(35)36/h2-6,13-15,18,23H,7-12,16-17H2,1H3,(H,35,36)/t18-,23+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000252
(CHEMBL136347)Show SMILES C[C@H](OC[C@@H](N1CCN(CC(O)=O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H26F6N2O3/c1-16(18-11-19(23(25,26)27)13-20(12-18)24(28,29)30)35-15-21(17-5-3-2-4-6-17)32-9-7-31(8-10-32)14-22(33)34/h2-6,11-13,16,21H,7-10,14-15H2,1H3,(H,33,34)/t16-,21+/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421561
(CHEMBL419742)Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2cccc(Cl)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H21ClF6N2O/c22-18-3-1-2-15(10-18)19(30-6-4-29-5-7-30)13-31-12-14-8-16(20(23,24)25)11-17(9-14)21(26,27)28/h1-3,8-11,19,29H,4-7,12-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421567
(CHEMBL109937)Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H22F6N2O/c22-20(23,24)17-10-15(11-18(12-17)21(25,26)27)13-30-14-19(16-4-2-1-3-5-16)29-8-6-28-7-9-29/h1-5,10-12,19,28H,6-9,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000236
(CHEMBL140080)Show SMILES CN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C22H24F6N2O/c1-29-7-9-30(10-8-29)20(17-5-3-2-4-6-17)15-31-14-16-11-18(21(23,24)25)13-19(12-16)22(26,27)28/h2-6,11-13,20H,7-10,14-15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000238
(CHEMBL336305)Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2cccc(C=C)c2C=C)cc(c1)C(F)(F)F Show InChI InChI=1S/C25H26F6N2O/c1-3-18-6-5-7-22(21(18)4-2)23(33-10-8-32-9-11-33)16-34-15-17-12-19(24(26,27)28)14-20(13-17)25(29,30)31/h3-7,12-14,23,32H,1-2,8-11,15-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421562
(CHEMBL108889)Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2ccccc2Cl)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H21ClF6N2O/c22-18-4-2-1-3-17(18)19(30-7-5-29-6-8-30)13-31-12-14-9-15(20(23,24)25)11-16(10-14)21(26,27)28/h1-4,9-11,19,29H,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
| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000248
(CHEMBL139750)Show SMILES OCCN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C23H26F6N2O2/c24-22(25,26)19-12-17(13-20(14-19)23(27,28)29)15-33-16-21(18-4-2-1-3-5-18)31-8-6-30(7-9-31)10-11-32/h1-5,12-14,21,32H,6-11,15-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000239
(CHEMBL342266)Show SMILES FC(F)(F)c1cc(COCC(N2CCN(Cc3ccccn3)CC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C27H27F6N3O/c28-26(29,30)22-14-20(15-23(16-22)27(31,32)33)18-37-19-25(21-6-2-1-3-7-21)36-12-10-35(11-13-36)17-24-8-4-5-9-34-24/h1-9,14-16,25H,10-13,17-19H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000255
(CHEMBL139088)Show SMILES Fc1cccc(c1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C21H21F7N2O/c22-18-3-1-2-15(10-18)19(30-6-4-29-5-7-30)13-31-12-14-8-16(20(23,24)25)11-17(9-14)21(26,27)28/h1-3,8-11,19,29H,4-7,12-13H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000221
(CHEMBL336251)Show SMILES CCCCN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C25H30F6N2O/c1-2-3-9-32-10-12-33(13-11-32)23(20-7-5-4-6-8-20)18-34-17-19-14-21(24(26,27)28)16-22(15-19)25(29,30)31/h4-8,14-16,23H,2-3,9-13,17-18H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000243
(CHEMBL423913)Show SMILES C[C@H](OC[C@H](N1CCN(CCOCC(O)=O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H30F6N2O4/c1-18(20-13-21(25(27,28)29)15-22(14-20)26(30,31)32)38-16-23(19-5-3-2-4-6-19)34-9-7-33(8-10-34)11-12-37-17-24(35)36/h2-6,13-15,18,23H,7-12,16-17H2,1H3,(H,35,36)/t18-,23-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000228
(CHEMBL136504)Show InChI InChI=1S/C19H22Cl2N2O/c20-17-10-15(11-18(21)12-17)13-24-14-19(16-4-2-1-3-5-16)23-8-6-22-7-9-23/h1-5,10-12,19,22H,6-9,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000233
(CHEMBL136360)Show SMILES Cc1cccc(c1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C22H24F6N2O/c1-15-3-2-4-17(9-15)20(30-7-5-29-6-8-30)14-31-13-16-10-18(21(23,24)25)12-19(11-16)22(26,27)28/h2-4,9-12,20,29H,5-8,13-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000250
(CHEMBL337789)Show SMILES NC(=O)COCCN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C25H29F6N3O3/c26-24(27,28)20-12-18(13-21(14-20)25(29,30)31)15-37-16-22(19-4-2-1-3-5-19)34-8-6-33(7-9-34)10-11-36-17-23(32)35/h1-5,12-14,22H,6-11,15-17H2,(H2,32,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000242
(CHEMBL342443)Show SMILES C[C@H](OC[C@H](N1CCN(CC(O)=O)CC1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H26F6N2O3/c1-16(18-11-19(23(25,26)27)13-20(12-18)24(28,29)30)35-15-21(17-5-3-2-4-6-17)32-9-7-31(8-10-32)14-22(33)34/h2-6,11-13,16,21H,7-10,14-15H2,1H3,(H,33,34)/t16-,21-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421554
(CHEMBL107875)Show SMILES Fc1cccc(C(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)N2CCNCC2)c1F Show InChI InChI=1S/C21H20F8N2O/c22-17-3-1-2-16(19(17)23)18(31-6-4-30-5-7-31)12-32-11-13-8-14(20(24,25)26)10-15(9-13)21(27,28)29/h1-3,8-10,18,30H,4-7,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000254
(CHEMBL136213)Show InChI InChI=1S/C19H22Br2N2O/c20-17-10-15(11-18(21)12-17)13-24-14-19(16-4-2-1-3-5-16)23-8-6-22-7-9-23/h1-5,10-12,19,22H,6-9,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421573
(CHEMBL321892)Show SMILES Fc1ccccc1C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C21H21F7N2O/c22-18-4-2-1-3-17(18)19(30-7-5-29-6-8-30)13-31-12-14-9-15(20(23,24)25)11-16(10-14)21(26,27)28/h1-4,9-11,19,29H,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
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421568
(CHEMBL108422)Show SMILES COc1ccccc1C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCNCC1 Show InChI InChI=1S/C22H24F6N2O2/c1-31-20-5-3-2-4-18(20)19(30-8-6-29-7-9-30)14-32-13-15-10-16(21(23,24)25)12-17(11-15)22(26,27)28/h2-5,10-12,19,29H,6-9,13-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000253
(CHEMBL344847)Show SMILES FC(F)(F)c1cc(COCC(N2CCN(CCCCc3nn[nH]n3)CC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C26H30F6N6O/c27-25(28,29)21-14-19(15-22(16-21)26(30,31)32)17-39-18-23(20-6-2-1-3-7-20)38-12-10-37(11-13-38)9-5-4-8-24-33-35-36-34-24/h1-3,6-7,14-16,23H,4-5,8-13,17-18H2,(H,33,34,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421556
(CHEMBL109183)Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2ccc(Cl)c(Cl)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C21H20Cl2F6N2O/c22-17-2-1-14(9-18(17)23)19(31-5-3-30-4-6-31)12-32-11-13-7-15(20(24,25)26)10-16(8-13)21(27,28)29/h1-2,7-10,19,30H,3-6,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 6.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000220
(CHEMBL136709)Show SMILES FC(F)(F)c1cc(COCC(N2CCN(CC#N)CC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C23H23F6N3O/c24-22(25,26)19-12-17(13-20(14-19)23(27,28)29)15-33-16-21(18-4-2-1-3-5-18)32-10-8-31(7-6-30)9-11-32/h1-5,12-14,21H,7-11,15-16H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000245
(CHEMBL139150)Show SMILES NC(=O)CN1CCN(CC1)[C@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C23H25F6N3O2/c24-22(25,26)18-10-16(11-19(12-18)23(27,28)29)14-34-15-20(17-4-2-1-3-5-17)32-8-6-31(7-9-32)13-21(30)33/h1-5,10-12,20H,6-9,13-15H2,(H2,30,33)/t20-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000224
(CHEMBL342602)Show SMILES FC(F)(F)c1cc(COCC(N2CCNCC2)c2cccs2)cc(c1)C(F)(F)F Show InChI InChI=1S/C19H20F6N2OS/c20-18(21,22)14-8-13(9-15(10-14)19(23,24)25)11-28-12-16(17-2-1-7-29-17)27-5-3-26-4-6-27/h1-2,7-10,16,26H,3-6,11-12H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421558
(CHEMBL432627)Show InChI InChI=1S/C20H24Br2N2O2/c1-25-20-16(11-17(21)12-18(20)22)13-26-14-19(15-5-3-2-4-6-15)24-9-7-23-8-10-24/h2-6,11-12,19,23H,7-10,13-14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50428509
(CHEMBL2331608)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H19N3O3S/c23-29(27,28)21-12-10-20(11-13-21)25-22(14-19(15-26)24-25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14,26H,15H2,(H2,23,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50329603
(CHEMBL1270532 | N-(Piperidino-1-ethyl)-1-[4-(amino...)Show SMILES Cc1c(cc(-c2ccc3ccccc3c2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCCCC1 Show InChI InChI=1S/C29H32N4O3S/c1-21-27(29(34)31-15-18-32-16-5-2-6-17-32)20-28(24-10-9-22-7-3-4-8-23(22)19-24)33(21)25-11-13-26(14-12-25)37(30,35)36/h3-4,7-14,19-20H,2,5-6,15-18H2,1H3,(H,31,34)(H2,30,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 18: 7392-401 (2010)
Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50428503
(CHEMBL2336615)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1CO)-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)19-9-7-17(8-10-19)23-18(13-24)12-20(22-23)16-6-5-14-3-1-2-4-15(14)11-16/h1-12,24H,13H2,(H2,21,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50428512
(CHEMBL2336626)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)19-9-7-18(8-10-19)23-20(12-17(13-24)22-23)16-6-5-14-3-1-2-4-15(14)11-16/h1-12,24H,13H2,(H2,21,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50329601
(4-{2-Methyl-3-[(4-methylpiperazino)carbonyl]-5-(2-...)Show SMILES CN1CCN(CC1)C(=O)c1cc(-c2ccc3ccccc3c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C27H28N4O3S/c1-19-25(27(32)30-15-13-29(2)14-16-30)18-26(22-8-7-20-5-3-4-6-21(20)17-22)31(19)23-9-11-24(12-10-23)35(28,33)34/h3-12,17-18H,13-16H2,1-2H3,(H2,28,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 18: 7392-401 (2010)
Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50329602
(CHEMBL1270531 | N-[2-(Pyrrolidinyl-1-ethyl)]-1-[4-...)Show SMILES Cc1c(cc(-c2ccc3ccccc3c2)n1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCN1CCCC1 Show InChI InChI=1S/C28H30N4O3S/c1-20-26(28(33)30-14-17-31-15-4-5-16-31)19-27(23-9-8-21-6-2-3-7-22(21)18-23)32(20)24-10-12-25(13-11-24)36(29,34)35/h2-3,6-13,18-19H,4-5,14-17H2,1H3,(H,30,33)(H2,29,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 18: 7392-401 (2010)
Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000235
(CHEMBL139499)Show SMILES NC(=O)CN1CCN(CC1)[C@@H](COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C23H25F6N3O2/c24-22(25,26)18-10-16(11-19(12-18)23(27,28)29)14-34-15-20(17-4-2-1-3-5-17)32-8-6-31(7-9-32)13-21(30)33/h1-5,10-12,20H,6-9,13-15H2,(H2,30,33)/t20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000229
(CHEMBL139531)Show SMILES OC(=O)CCCCN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C26H30F6N2O3/c27-25(28,29)21-14-19(15-22(16-21)26(30,31)32)17-37-18-23(20-6-2-1-3-7-20)34-12-10-33(11-13-34)9-5-4-8-24(35)36/h1-3,6-7,14-16,23H,4-5,8-13,17-18H2,(H,35,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50329599
(CHEMBL1270341 | N-[2-(Dimethylamino)ethyl]-1-[4-(a...)Show SMILES CN(C)CCNC(=O)c1cc(-c2ccc3ccccc3c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C26H28N4O3S/c1-18-24(26(31)28-14-15-29(2)3)17-25(21-9-8-19-6-4-5-7-20(19)16-21)30(18)22-10-12-23(13-11-22)34(27,32)33/h4-13,16-17H,14-15H2,1-3H3,(H,28,31)(H2,27,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 18: 7392-401 (2010)
Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50329600
(CHEMBL1270437 | N-(Dimethylaminopropyl)-1-[4-(amin...)Show SMILES CN(C)CCCNC(=O)c1cc(-c2ccc3ccccc3c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C27H30N4O3S/c1-19-25(27(32)29-15-6-16-30(2)3)18-26(22-10-9-20-7-4-5-8-21(20)17-22)31(19)23-11-13-24(14-12-23)35(28,33)34/h4-5,7-14,17-18H,6,15-16H2,1-3H3,(H,29,32)(H2,28,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay |
Bioorg Med Chem 18: 7392-401 (2010)
Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM10880
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50421553
(CHEMBL320535)Show SMILES Fc1cc(COCC(N2CCNCC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C20H22F4N2O/c21-18-11-15(10-17(12-18)20(22,23)24)13-27-14-19(16-4-2-1-3-5-16)26-8-6-25-7-9-26/h1-5,10-12,19,25H,6-9,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428520
(CHEMBL2336632)Show InChI InChI=1S/C15H14N4O3S/c16-23(21,22)14-5-3-13(4-6-14)19-15(8-12(10-20)18-19)11-2-1-7-17-9-11/h1-9,20H,10H2,(H2,16,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428518
(CHEMBL2336620)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc(Br)cc1 Show InChI InChI=1S/C16H14BrN3O3S/c17-12-3-1-11(2-4-12)16-9-13(10-21)19-20(16)14-5-7-15(8-6-14)24(18,22)23/h1-9,21H,10H2,(H2,18,22,23) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 2
(Homo sapiens (Human)) | BDBM50329600
(CHEMBL1270437 | N-(Dimethylaminopropyl)-1-[4-(amin...)Show SMILES CN(C)CCCNC(=O)c1cc(-c2ccc3ccccc3c2)n(c1C)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C27H30N4O3S/c1-19-25(27(32)29-15-6-16-30(2)3)18-26(22-10-9-20-7-4-5-8-21(20)17-22)31(19)23-11-13-24(14-12-23)35(28,33)34/h4-5,7-14,17-18H,6,15-16H2,1-3H3,(H,29,32)(H2,28,33,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay |
Bioorg Med Chem 18: 7392-401 (2010)
Article DOI: 10.1016/j.bmc.2010.09.007
BindingDB Entry DOI: 10.7270/Q23T9HGQ |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000226
(CHEMBL139382)Show SMILES OC(=O)COCCN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C25H28F6N2O4/c26-24(27,28)20-12-18(13-21(14-20)25(29,30)31)15-37-16-22(19-4-2-1-3-5-19)33-8-6-32(7-9-33)10-11-36-17-23(34)35/h1-5,12-14,22H,6-11,15-17H2,(H,34,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000251
(CHEMBL138716)Show SMILES Oc1n[nH]c(CN2CCN(CC2)C(COCc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccccc2)n1 Show InChI InChI=1S/C24H25F6N5O2/c25-23(26,27)18-10-16(11-19(12-18)24(28,29)30)14-37-15-20(17-4-2-1-3-5-17)35-8-6-34(7-9-35)13-21-31-22(36)33-32-21/h1-5,10-12,20H,6-9,13-15H2,(H2,31,32,33,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000244
(CHEMBL140302)Show SMILES FC(F)(F)c1ccc(COCC(N2CCNCC2)c2ccccc2)c(c1)C(F)(F)F Show InChI InChI=1S/C21H22F6N2O/c22-20(23,24)17-7-6-16(18(12-17)21(25,26)27)13-30-14-19(15-4-2-1-3-5-15)29-10-8-28-9-11-29/h1-7,12,19,28H,8-11,13-14H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000246
(CHEMBL139859)Show SMILES FC(F)(F)c1cc(COCC(N2CCN(CCN3CCOCC3)CC2)c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C27H33F6N3O2/c28-26(29,30)23-16-21(17-24(18-23)27(31,32)33)19-38-20-25(22-4-2-1-3-5-22)36-10-8-34(9-11-36)6-7-35-12-14-37-15-13-35/h1-5,16-18,25H,6-15,19-20H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50000230
(CHEMBL136291)Show SMILES OC(=O)CN1CCN(CC1)C(COCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C23H24F6N2O3/c24-22(25,26)18-10-16(11-19(12-18)23(27,28)29)14-34-15-20(17-4-2-1-3-5-17)31-8-6-30(7-9-31)13-21(32)33/h1-5,10-12,20H,6-9,13-15H2,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
UCB Pharma
Curated by ChEMBL
| Assay Description
Displacement of [3H]-substance P from human NK1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 13: 437-42 (2003)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2MC91J0 |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428512
(CHEMBL2336626)Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)19-9-7-18(8-10-19)23-20(12-17(13-24)22-23)16-6-5-14-3-1-2-4-15(14)11-16/h1-12,24H,13H2,(H2,21,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
Carbonic anhydrase 9
(Homo sapiens (Human)) | BDBM50428501
(CHEMBL2336617)Show SMILES NS(=O)(=O)c1cccc(c1)-n1nc(CO)cc1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)19-7-3-6-18(12-19)23-20(11-17(13-24)22-23)16-9-8-14-4-1-2-5-15(14)10-16/h1-12,24H,13H2,(H2,21,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Univ. Lille Nord de France
Curated by ChEMBL
| Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay |
Bioorg Med Chem 21: 1451-64 (2013)
Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC |
More data for this
Ligand-Target Pair | |
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