Found 28 hits of Enzyme Inhibition Constant Data 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 |
|---|
Epithelial discoidin domain-containing receptor 1
(Homo sapiens (Human)) | BDBM13216
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) | PDB
KEGG
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CHEMBL
DrugBank
MCE
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PC cid
PC sid
PDB
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Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of DDR1b (unknown origin) assessed as reduction in collagen-induced DDR1b activation |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM13216
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of DDR2 (unknown origin) assessed as reduction in collagen-induced DDR2 activation |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50430875
(CHEMBL2336005 | US9062066, LCB 03-0110)Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1 Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
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GoogleScholar
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CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant activated DDR2 tyrosine kinase domain (unknown origin) using histone H2B peptide substrate and [32P]ATP incubated for 15 mi... |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50080404
(CHEMBL3422262)Show SMILES CN(C)CCOc1cc(Cl)c(C)cc1NC(=O)NCc1ccc(Oc2ccnc(NC(C)=O)c2)c(C)c1 Show InChI InChI=1S/C27H32ClN5O4/c1-17-13-23(25(15-22(17)28)36-11-10-33(4)5)32-27(35)30-16-20-6-7-24(18(2)12-20)37-21-8-9-29-26(14-21)31-19(3)34/h6-9,12-15H,10-11,16H2,1-5H3,(H,29,31,34)(H2,30,32,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human DDR2 expressed in HEK293 cells assessed as reduction in collagen-2-induced DDR2 phosphorylation |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Epithelial discoidin domain-containing receptor 1
(Homo sapiens (Human)) | BDBM104010
(DDR1-IN-2)Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NCc3cnc4[nH]ccc4c3OC)c2)CC1 Show InChI InChI=1S/C31H35F3N6O2/c1-4-39-11-13-40(14-12-39)19-22-7-6-21(15-26(22)31(32,33)34)30(41)38-24-8-5-20(2)27(16-24)36-17-23-18-37-29-25(9-10-35-29)28(23)42-3/h5-10,15-16,18,36H,4,11-14,17,19H2,1-3H3,(H,35,37)(H,38,41) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human DDR1 in doxycycline-stimulated human U2OS cells assessed as inhibition of collagen-1-induced autophosphorylation incubated for 1 ... |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50080406
(CHEMBL3422260)Show SMILES Cn1cc(cc(NC(=O)NCc2ccc(Oc3ccnc4NC(=O)NCc34)cc2)c1=O)C(F)(F)F Show InChI InChI=1S/C22H19F3N6O4/c1-31-11-13(22(23,24)25)8-16(19(31)32)29-20(33)27-9-12-2-4-14(5-3-12)35-17-6-7-26-18-15(17)10-28-21(34)30-18/h2-8,11H,9-10H2,1H3,(H2,27,29,33)(H2,26,28,30,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human DDR2 expressed in HEK293 cells assessed as reduction in collagen-2-induced DDR2 phosphorylation |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50080405
(CHEMBL3422261)Show SMILES CNC(=O)c1cc(Oc2ccc(CNC(=O)Nc3cc(ccc3OC3CCNCC3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C27H28F3N5O4/c1-31-25(36)23-15-21(10-13-33-23)38-19-5-2-17(3-6-19)16-34-26(37)35-22-14-18(27(28,29)30)4-7-24(22)39-20-8-11-32-12-9-20/h2-7,10,13-15,20,32H,8-9,11-12,16H2,1H3,(H,31,36)(H2,34,35,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human DDR2 expressed in HEK293 cells assessed as reduction in collagen-2-induced DDR2 phosphorylation |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50080407
(CHEMBL3422259)Show SMILES CNC(=O)c1cc(Oc2ccc(CNC(=O)Nc3cc(Cl)ccc3OC)cc2C)ccn1 Show InChI InChI=1S/C23H23ClN4O4/c1-14-10-15(13-27-23(30)28-18-11-16(24)5-7-21(18)31-3)4-6-20(14)32-17-8-9-26-19(12-17)22(29)25-2/h4-12H,13H2,1-3H3,(H,25,29)(H2,27,28,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human DDR2 expressed in HEK293 cells assessed as reduction in collagen-2-induced DDR2 phosphorylation |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Epithelial discoidin domain-containing receptor 1
(Homo sapiens (Human)) | BDBM50237710
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37) | PDB
KEGG
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CHEMBL
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MCE
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PC cid
PC sid
PDB
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Patents
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of DDR1b (unknown origin) assessed as reduction in collagen-induced DDR1b activation |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Epithelial discoidin domain-containing receptor 1
(Homo sapiens (Human)) | BDBM50080408
(CHEMBL3422021 | US9567304, Compound F-1)Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1Cn1c(=O)[nH]c2c(Cl)c(CN3CCNCC3)c(cc2c1=O)C(F)(F)F Show InChI InChI=1S/C23H23Cl2F3N4O4S/c1-2-37(35,36)18-4-3-14(24)9-13(18)11-32-21(33)15-10-17(23(26,27)28)16(12-31-7-5-29-6-8-31)19(25)20(15)30-22(32)34/h3-4,9-10,29H,2,5-8,11-12H2,1H3,(H,30,34) | PDB
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of DDR1 (unknown origin) |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Epithelial discoidin domain-containing receptor 1
(Homo sapiens (Human)) | BDBM104010
(DDR1-IN-2)Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(NCc3cnc4[nH]ccc4c3OC)c2)CC1 Show InChI InChI=1S/C31H35F3N6O2/c1-4-39-11-13-40(14-12-39)19-22-7-6-21(15-26(22)31(32,33)34)30(41)38-24-8-5-20(2)27(16-24)36-17-23-18-37-29-25(9-10-35-29)28(23)42-3/h5-10,15-16,18,36H,4,11-14,17,19H2,1-3H3,(H,35,37)(H,38,41) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human DDR1 kinase domain (601 to 913 residues) expressed in Sf9 cells by enzymatic kinase assay |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50237710
(4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifl...)Show SMILES Cc1cn(cn1)-c1cc(NC(=O)c2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H22F3N7O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38/h3-16H,1-2H3,(H,35,39)(H,33,36,37) | PDB
MMDB
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KEGG
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CHEMBL
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PC cid
PC sid
PDB
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Patents
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| Article
PubMed
| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of DDR2 (unknown origin) assessed as reduction in collagen-induced DDR2 activation |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Epithelial discoidin domain-containing receptor 1
(Homo sapiens (Human)) | BDBM104009
(DDR1-IN-1)Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Oc3ccc4NC(=O)Cc4c3)c2)CC1 Show InChI InChI=1S/C30H31F3N4O3/c1-3-36-10-12-37(13-11-36)18-21-6-5-20(15-25(21)30(31,32)33)29(39)34-23-7-4-19(2)27(17-23)40-24-8-9-26-22(14-24)16-28(38)35-26/h4-9,14-15,17H,3,10-13,16,18H2,1-2H3,(H,34,39)(H,35,38) | PDB
KEGG
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MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human DDR1 in doxycycline-stimulated human U2OS cells assessed as inhibition of collagen-1-induced autophosphorylation incubated for 1 ... |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Epithelial discoidin domain-containing receptor 1
(Homo sapiens (Human)) | BDBM50080409
(CHEMBL3422020 | US9695118, 43)Show SMILES CCS(=O)(=O)c1ccc(Cl)cc1CNC(=O)c1ccc(CN2CCN(C)CC2)c(c1)C(F)(F)F Show InChI InChI=1S/C23H27ClF3N3O3S/c1-3-34(32,33)21-7-6-19(24)12-18(21)14-28-22(31)16-4-5-17(20(13-16)23(25,26)27)15-30-10-8-29(2)9-11-30/h4-7,12-13H,3,8-11,14-15H2,1-2H3,(H,28,31) | PDB
KEGG
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DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of DDR1 (unknown origin) |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Epithelial discoidin domain-containing receptor 1
(Homo sapiens (Human)) | BDBM104009
(DDR1-IN-1)Show SMILES CCN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(Oc3ccc4NC(=O)Cc4c3)c2)CC1 Show InChI InChI=1S/C30H31F3N4O3/c1-3-36-10-12-37(13-11-36)18-21-6-5-20(15-25(21)30(31,32)33)29(39)34-23-7-4-19(2)27(17-23)40-24-8-9-26-22(14-24)16-28(38)35-26/h4-9,14-15,17H,3,10-13,16,18H2,1-2H3,(H,34,39)(H,35,38) | PDB
KEGG
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MCE
PC cid
PC sid
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UniChem
| PDB
Article
PubMed
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human DDR1 kinase domain (601 to 913 residues) expressed in Sf9 cells by enzymatic kinase assay |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50430875
(CHEMBL2336005 | US9062066, LCB 03-0110)Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1 Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of recombinant non-activated DDR2 tyrosine kinase domain (unknown origin) using histone H2B peptide substrate and [32P]ATP incubated for 1... |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Epithelial discoidin domain-containing receptor 1
(Homo sapiens (Human)) | BDBM50430875
(CHEMBL2336005 | US9062066, LCB 03-0110)Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1 Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26) | PDB
KEGG
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CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 164 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human DDR1b expressed in HEK293 cells assessed as reduction in collagen-1-induced receptor auto-phosphorylation by Western blot method |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50430875
(CHEMBL2336005 | US9062066, LCB 03-0110)Show SMILES Oc1cccc(Nc2ccnc3cc(sc23)-c2cccc(CN3CCOCC3)c2)c1 Show InChI InChI=1S/C24H23N3O2S/c28-20-6-2-5-19(14-20)26-21-7-8-25-22-15-23(30-24(21)22)18-4-1-3-17(13-18)16-27-9-11-29-12-10-27/h1-8,13-15,28H,9-12,16H2,(H,25,26) | PDB
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| n/a | n/a | 171 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human DDR2 expressed in HEK293 cells assessed as reduction in collagen-1-induced receptor auto-phosphorylation by Western blot method |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Epithelial discoidin domain-containing receptor 1
(Homo sapiens (Human)) | BDBM13530
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) | PDB
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PDB
Article
PubMed
| n/a | n/a | 337 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of DDR1b (unknown origin) assessed as reduction in collagen-induced DDR1b activation |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM13530
(4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[...)Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1 Show InChI InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34) | PDB
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| n/a | n/a | 675 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of DDR2 (unknown origin) assessed as reduction in collagen-induced DDR2 activation |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM43866
(2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,1...)Show SMILES CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc23)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O Show InChI InChI=1S/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47)90-51)54(79)68-45-34(12)89-62(87)49(30(7)8)72(16)39(76)26-70(14)58(83)37-20-18-24-74(37)60(85)43(28(3)4)66-56(45)81/h21-22,27-30,33-34,36-37,42-45,48-49H,17-20,23-26,63H2,1-16H3,(H,65,80)(H,66,81)(H,67,78)(H,68,79)/t33-,34-,36+,37+,42-,43-,44+,45+,48+,49+/m1/s1 | PDB
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| n/a | n/a | 9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Inhibition of human DDR2 expressed in HEK293 cells assessed as reduction in collagen-1-induced DDR2 tyrosine phosphorylation pre-incubated for 30 min... |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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PubMed
| n/a | n/a | n/a | 6.60 | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to DDR2 (unknown origin) |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Epithelial discoidin domain-containing receptor 1
(Homo sapiens (Human)) | BDBM50399540
(FORETINIB | US10464902, Foretinib | US10882853, Co...)Show SMILES COc1cc2c(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 Show InChI InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42) | PDB
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| n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to DDR1 (unknown origin) |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB
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| n/a | n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to DDR2 (unknown origin) |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM26474
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25) | PDB
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| n/a | n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to DDR2 (unknown origin) |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Epithelial discoidin domain-containing receptor 1
(Homo sapiens (Human)) | BDBM16673
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1 Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31) | PDB
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| n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to DDR1 (unknown origin) |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Epithelial discoidin domain-containing receptor 1
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB
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| n/a | n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to DDR1 (unknown origin) |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
Discoidin domain-containing receptor 2
(Homo sapiens (Human)) | BDBM50430839
(CHEMBL2336015)Show SMILES CCc1ccc(cc1C#Cc1cnc2ccnn2c1)C(=O)Nc1cc(CN2CCN(C)CC2)cc(c1)C(F)(F)F Show InChI InChI=1S/C30H29F3N6O/c1-3-23-6-7-25(16-24(23)5-4-21-18-34-28-8-9-35-39(28)20-21)29(40)36-27-15-22(14-26(17-27)30(31,32)33)19-38-12-10-37(2)11-13-38/h6-9,14-18,20H,3,10-13,19H2,1-2H3,(H,36,40) | PDB
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| n/a | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description
Binding affinity to DDR2 (unknown origin) by active-site dependent competition binding assay |
J Med Chem 58: 3287-301 (2015)
Article DOI: 10.1021/jm5012319
BindingDB Entry DOI: 10.7270/Q2DV1MMV |
More data for this
Ligand-Target Pair | |
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