Found 22 hits Enz. Inhib. hit(s) with all data for entry = 50010712 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 |
|---|
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50541408
(CHEMBL4643140)Show SMILES Cc1cc(Oc2c(C)cc(cc2F)C(=O)N[C@H]2C[C@]3(CC[C@@H](N3C2=O)C(C)(C)C#N)c2ccc(F)cc2C)c(=O)[nH]n1 |r| Show InChI InChI=1S/C31H31F2N5O4/c1-16-11-20(32)6-7-21(16)31-9-8-25(30(4,5)15-34)38(31)29(41)23(14-31)35-27(39)19-10-17(2)26(22(33)13-19)42-24-12-18(3)36-37-28(24)40/h6-7,10-13,23,25H,8-9,14H2,1-5H3,(H,35,39)(H,37,40)/t23-,25+,31+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.00400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CLR/RAMP1 |
J Med Chem 63: 6600-6623 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01810
BindingDB Entry DOI: 10.7270/Q2GF0Z1G |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50541406
(CHEMBL4649325)Show SMILES C[C@H](c1ccc(nc1)C(=O)NCc1cc(C)nc(c1)C1CCC1)[C@@]1(C)C(=O)Nc2ncccc12 |r| Show InChI InChI=1S/C27H29N5O2/c1-16-12-18(13-23(31-16)19-6-4-7-19)14-30-25(33)22-10-9-20(15-29-22)17(2)27(3)21-8-5-11-28-24(21)32-26(27)34/h5,8-13,15,17,19H,4,6-7,14H2,1-3H3,(H,30,33)(H,28,32,34)/t17-,27-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.00700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CLR/RAMP1 |
J Med Chem 63: 6600-6623 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01810
BindingDB Entry DOI: 10.7270/Q2GF0Z1G |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM362044
(US10272077, Example 4 | US9833448, Example 4)Show SMILES C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)N1CC(F)(F)F)c1c(F)ccc(F)c1F |r| Show InChI InChI=1S/C29H23F6N5O3/c1-13-16(22-18(30)4-5-19(31)23(22)32)8-20(26(42)40(13)12-29(33,34)35)38-25(41)15-7-14-9-28(10-21(14)37-11-15)17-3-2-6-36-24(17)39-27(28)43/h2-7,11,13,16,20H,8-10,12H2,1H3,(H,38,41)(H,36,39,43)/t13-,16-,20+,28+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human CLR/RAMP1 |
J Med Chem 63: 6600-6623 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01810
BindingDB Entry DOI: 10.7270/Q2GF0Z1G |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50541407
(CHEMBL4638635)Show SMILES Cc1cccc(c1)[C@H]1CC[C@H](N1C(=O)CNC(=O)c1ccc(Cc2cc(C)n[nH]c2=O)c(C)c1)C(C)(C)C#N |r| Show InChI InChI=1S/C31H35N5O3/c1-19-7-6-8-23(13-19)26-11-12-27(31(4,5)18-32)36(26)28(37)17-33-29(38)24-10-9-22(20(2)14-24)16-25-15-21(3)34-35-30(25)39/h6-10,13-15,26-27H,11-12,16-17H2,1-5H3,(H,33,38)(H,35,39)/t26-,27+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CLR/RAMP1 |
J Med Chem 63: 6600-6623 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01810
BindingDB Entry DOI: 10.7270/Q2GF0Z1G |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM391726
(N-[(2R)-3-(7-methyl-1H- | US10300056, Example 11 |...)Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC3(CC2)OC(=O)Nc2ncccc32)C(=O)N[C@@H](CC2CCNCC2)C(=O)N2CCN(CC2)c2ccncc2)cc2cn[nH]c12 |r| | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CLR/RAMP1 |
J Med Chem 63: 6600-6623 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01810
BindingDB Entry DOI: 10.7270/Q2GF0Z1G |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM361594
(US10272077, Example 1 | US9833448, Example 1)Show SMILES C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)N1CC(F)(F)F)c1ccccc1 |r| Show InChI InChI=1S/C29H26F3N5O3/c1-16-20(17-6-3-2-4-7-17)11-22(26(39)37(16)15-29(30,31)32)35-25(38)19-10-18-12-28(13-23(18)34-14-19)21-8-5-9-33-24(21)36-27(28)40/h2-10,14,16,20,22H,11-13,15H2,1H3,(H,35,38)(H,33,36,40)/t16-,20-,22+,28+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0670 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Antagonist activity at human CLR/RAMP1 |
J Med Chem 63: 6600-6623 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01810
BindingDB Entry DOI: 10.7270/Q2GF0Z1G |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50541405
(CHEMBL4633407)Show SMILES C[C@H](c1ccc(cc1)C(=O)NCc1cc(C)nc(c1)C1CCC1)[C@]1(C)CC(=O)NC1=O |r| Show InChI InChI=1S/C25H29N3O3/c1-15-11-17(12-21(27-15)19-5-4-6-19)14-26-23(30)20-9-7-18(8-10-20)16(2)25(3)13-22(29)28-24(25)31/h7-12,16,19H,4-6,13-14H2,1-3H3,(H,26,30)(H,28,29,31)/t16-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CLR/RAMP1 |
J Med Chem 63: 6600-6623 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01810
BindingDB Entry DOI: 10.7270/Q2GF0Z1G |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50541410
(CHEMBL4637301)Show SMILES F[C@@H]1COCCC11O[C@H](N(CC(=O)Nc2cc3C[C@@]4(Cc3cn2)C(=O)Nc2ncccc42)C1=O)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C29H25ClFN5O5/c30-19-4-1-3-16(9-19)25-36(27(39)29(41-25)6-8-40-15-21(29)31)14-23(37)34-22-10-17-11-28(12-18(17)13-33-22)20-5-2-7-32-24(20)35-26(28)38/h1-5,7,9-10,13,21,25H,6,8,11-12,14-15H2,(H,32,35,38)(H,33,34,37)/t21-,25+,28+,29?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CLR/RAMP1 |
J Med Chem 63: 6600-6623 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01810
BindingDB Entry DOI: 10.7270/Q2GF0Z1G |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50541413
(CHEMBL4649671)Show SMILES CN1CCOCCOC\C=C\c2cnc3NC(=O)[C@]4(Cc5cc(cnc5C4)C(=O)N[C@H](Cc4cc(C)c5[nH]ncc5c4)C1=O)c3c2 |r,t:9| Show InChI InChI=1S/C34H35N7O5/c1-20-10-22(11-24-19-37-40-29(20)24)13-27-32(43)41(2)5-7-46-9-8-45-6-3-4-21-12-26-30(36-17-21)39-33(44)34(26)15-23-14-25(31(42)38-27)18-35-28(23)16-34/h3-4,10-12,14,17-19,27H,5-9,13,15-16H2,1-2H3,(H,37,40)(H,38,42)(H,36,39,44)/b4-3+/t27-,34+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CLR/RAMP1 |
J Med Chem 63: 6600-6623 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01810
BindingDB Entry DOI: 10.7270/Q2GF0Z1G |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50224431
(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CC(F)(F)F)C2)c1F Show InChI InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| 0.770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CLR/RAMP1 |
J Med Chem 63: 6600-6623 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01810
BindingDB Entry DOI: 10.7270/Q2GF0Z1G |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50541400
(CHEMBL4634646)Show SMILES CN1c2ccccc2C(=N[C@@H](NC(=O)Nc2ccc3CCC4(Cc3c2)NC(=O)NC4=O)C1=O)c1ccccc1 |r,c:9| Show InChI InChI=1S/C29H26N6O4/c1-35-22-10-6-5-9-21(22)23(18-7-3-2-4-8-18)31-24(25(35)36)32-27(38)30-20-12-11-17-13-14-29(16-19(17)15-20)26(37)33-28(39)34-29/h2-12,15,24H,13-14,16H2,1H3,(H2,30,32,38)(H2,33,34,37,39)/t24-,29?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 4.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CLR/RAMP1 |
J Med Chem 63: 6600-6623 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01810
BindingDB Entry DOI: 10.7270/Q2GF0Z1G |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50541411
(CHEMBL4643006)Show SMILES CC(C)c1ccc(nn1)-c1ccc(Oc2cc(ccc2CN2C[C@@H](C)CC2=O)C(=O)N[C@@H]2CCN(C[C@@H]2F)C2CCOCC2)cc1 |r| Show InChI InChI=1S/C36H44FN5O4/c1-23(2)31-10-11-32(40-39-31)25-6-8-29(9-7-25)46-34-19-26(4-5-27(34)21-42-20-24(3)18-35(42)43)36(44)38-33-12-15-41(22-30(33)37)28-13-16-45-17-14-28/h4-11,19,23-24,28,30,33H,12-18,20-22H2,1-3H3,(H,38,44)/t24-,30-,33+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CLR/RAMP1 by cAMP assay |
J Med Chem 63: 6600-6623 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01810
BindingDB Entry DOI: 10.7270/Q2GF0Z1G |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50184069
(CHEMBL207197 | N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...)Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1 Show InChI InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CLR/RAMP1 |
J Med Chem 63: 6600-6623 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01810
BindingDB Entry DOI: 10.7270/Q2GF0Z1G |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50541409
(CHEMBL4647045)Show SMILES COC(C)(C)c1cc(ccn1)-c1cc(ncc1N(C)c1cc(C)nc(C)c1)N1CCC(CC1)N1Cc2ccccc2NC(=O)C1 Show InChI InChI=1S/C36H43N7O2/c1-24-17-29(18-25(2)39-24)41(5)32-21-38-34(20-30(32)26-11-14-37-33(19-26)36(3,4)45-6)42-15-12-28(13-16-42)43-22-27-9-7-8-10-31(27)40-35(44)23-43/h7-11,14,17-21,28H,12-13,15-16,22-23H2,1-6H3,(H,40,44) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.0450 | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CLR/RAMP1 by cAMP assay |
J Med Chem 63: 6600-6623 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01810
BindingDB Entry DOI: 10.7270/Q2GF0Z1G |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50541412
(CHEMBL4644508)Show SMILES CN1CCN(CC1)C1CCN(CC1)C(=O)[C@H](CC(=O)N1CCC(CC1)N1CCc2ccccc2NC1=O)Cc1cc(Cl)c(N)c(c1)C(F)(F)F |r| Show InChI InChI=1S/C36H47ClF3N7O3/c1-43-16-18-44(19-17-43)27-7-13-46(14-8-27)34(49)26(20-24-21-29(36(38,39)40)33(41)30(37)22-24)23-32(48)45-11-9-28(10-12-45)47-15-6-25-4-2-3-5-31(25)42-35(47)50/h2-5,21-22,26-28H,6-20,23,41H2,1H3,(H,42,50)/t26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CLR/RAMP1 |
J Med Chem 63: 6600-6623 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01810
BindingDB Entry DOI: 10.7270/Q2GF0Z1G |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50541404
(CHEMBL4639133)Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1CCN(CC1)c1ccncc1 |r| Show InChI InChI=1S/C37H45Br2N9O5/c38-27-21-24(22-28(39)33(27)49)23-31(44-36(52)47-15-10-26(11-16-47)48-32-7-2-1-5-29(32)43-37(48)53)34(50)42-30(6-3-4-12-40)35(51)46-19-17-45(18-20-46)25-8-13-41-14-9-25/h1-2,5,7-9,13-14,21-22,26,30-31,49H,3-4,6,10-12,15-20,23,40H2,(H,42,50)(H,43,53)(H,44,52)/t30-,31+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CLR/RAMP1 |
J Med Chem 63: 6600-6623 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01810
BindingDB Entry DOI: 10.7270/Q2GF0Z1G |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50047356
(CHEMBL3334624)Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)N2CCc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCOCC2)cc(C)c1O |r| Show InChI InChI=1S/C35H47N5O6/c1-24-21-26(22-25(2)32(24)41)23-31(33(42)38-12-8-28(9-13-38)37-17-19-45-20-18-37)46-35(44)39-14-10-29(11-15-39)40-16-7-27-5-3-4-6-30(27)36-34(40)43/h3-6,21-22,28-29,31,41H,7-20,23H2,1-2H3,(H,36,43)/t31-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CLR/RAMP1 |
J Med Chem 63: 6600-6623 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01810
BindingDB Entry DOI: 10.7270/Q2GF0Z1G |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50541403
(CHEMBL4641806)Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N(C(N)=O)c1ccccc1)C(=O)N1CCN(CC1)c1ccncc1 |r| Show InChI InChI=1S/C37H47Br2N9O5/c38-29-22-25(23-30(39)33(29)49)24-32(44-37(53)47-16-11-28(12-17-47)48(36(41)52)27-6-2-1-3-7-27)34(50)43-31(8-4-5-13-40)35(51)46-20-18-45(19-21-46)26-9-14-42-15-10-26/h1-3,6-7,9-10,14-15,22-23,28,31-32,49H,4-5,8,11-13,16-21,24,40H2,(H2,41,52)(H,43,50)(H,44,53)/t31-,32+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CLR/RAMP1 |
J Med Chem 63: 6600-6623 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01810
BindingDB Entry DOI: 10.7270/Q2GF0Z1G |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50047357
(CHEMBL3334623)Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)n1c2ccccc2oc1=O)C(=O)N1CCN(CC1)c1ccncc1 |r| Show InChI InChI=1S/C37H44Br2N8O6/c38-27-21-24(22-28(39)33(27)48)23-30(43-36(51)46-15-10-26(11-16-46)47-31-6-1-2-7-32(31)53-37(47)52)34(49)42-29(5-3-4-12-40)35(50)45-19-17-44(18-20-45)25-8-13-41-14-9-25/h1-2,6-9,13-14,21-22,26,29-30,48H,3-5,10-12,15-20,23,40H2,(H,42,49)(H,43,51)/t29-,30+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CLR/RAMP1 |
J Med Chem 63: 6600-6623 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01810
BindingDB Entry DOI: 10.7270/Q2GF0Z1G |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50541402
(CHEMBL4645875)Show SMILES COc1ccccc1C1CCN(CC1)C(=O)N[C@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)N[C@@H](CCCCN)C(=O)N1CCN(CC1)c1ccncc1 |r| Show InChI InChI=1S/C37H47Br2N7O5/c1-51-33-8-3-2-6-28(33)26-11-16-46(17-12-26)37(50)43-32(24-25-22-29(38)34(47)30(39)23-25)35(48)42-31(7-4-5-13-40)36(49)45-20-18-44(19-21-45)27-9-14-41-15-10-27/h2-3,6,8-10,14-15,22-23,26,31-32,47H,4-5,7,11-13,16-21,24,40H2,1H3,(H,42,48)(H,43,50)/t31-,32+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CLR/RAMP1 |
J Med Chem 63: 6600-6623 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01810
BindingDB Entry DOI: 10.7270/Q2GF0Z1G |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50541401
(CHEMBL4634626)Show SMILES COc1ccccc1CCNC(=O)N[C@H](Cc1cc(Br)c(O)c(Br)c1)C(=O)N[C@@H](CCCCN)C(=O)N1CCN(CC1)c1ccncc1 |r| Show InChI InChI=1S/C34H43Br2N7O5/c1-48-30-8-3-2-6-24(30)9-15-39-34(47)41-29(22-23-20-26(35)31(44)27(36)21-23)32(45)40-28(7-4-5-12-37)33(46)43-18-16-42(17-19-43)25-10-13-38-14-11-25/h2-3,6,8,10-11,13-14,20-21,28-29,44H,4-5,7,9,12,15-19,22,37H2,1H3,(H,40,45)(H2,39,41,47)/t28-,29+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CLR/RAMP1 |
J Med Chem 63: 6600-6623 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01810
BindingDB Entry DOI: 10.7270/Q2GF0Z1G |
More data for this
Ligand-Target Pair | |
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1
(Homo sapiens (Human)) | BDBM50173483
((S)-6-Amino-2-[(R)-3-(3,5-dibromo-4-hydroxy-phenyl...)Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)CCCc1ccccc1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C33H40Br2N4O4/c34-26-20-25(21-27(35)31(26)41)22-29(38-30(40)16-9-14-23-10-3-1-4-11-23)33(43)39-28(15-7-8-18-36)32(42)37-19-17-24-12-5-2-6-13-24/h1-6,10-13,20-21,28-29,41H,7-9,14-19,22,36H2,(H,37,42)(H,38,40)(H,39,43)/t28-,29+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human CLR/RAMP1 |
J Med Chem 63: 6600-6623 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01810
BindingDB Entry DOI: 10.7270/Q2GF0Z1G |
More data for this
Ligand-Target Pair | |
Search and Browse
