Found 2 hits Enz. Inhib. hit(s) with Target = 'Receptor tyrosine-protein kinase erbB-2' and Ligand = 'BDBM50102525' 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 |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50102525
(CHEMBL265285 | FCDGFYACYMDV-OH)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C65H82N12O19S3/c1-34(2)54(65(95)96)77-62(92)48(30-53(83)84)74-58(88)43(23-24-97-4)70-61(91)46(28-39-17-21-41(79)22-18-39)72-63(93)49-32-98-99-33-50(76-56(86)42(66)25-36-11-7-5-8-12-36)64(94)73-47(29-52(81)82)57(87)67-31-51(80)69-44(26-37-13-9-6-10-14-37)60(90)71-45(27-38-15-19-40(78)20-16-38)59(89)68-35(3)55(85)75-49/h5-22,34-35,42-50,54,78-79H,23-33,66H2,1-4H3,(H,67,87)(H,68,89)(H,69,80)(H,70,91)(H,71,90)(H,72,93)(H,73,94)(H,74,88)(H,75,85)(H,76,86)(H,77,92)(H,81,82)(H,83,84)(H,95,96)/t35-,42-,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 3.56E+3 | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania School of Medicine
Curated by ChEMBL
| Assay Description Dissociation constant for peptide inhibtor binding to HER2 receptor |
J Med Chem 44: 2565-74 (2001)
BindingDB Entry DOI: 10.7270/Q2P55MTN |
More data for this Ligand-Target Pair | |
Receptor tyrosine-protein kinase erbB-2
(Homo sapiens (Human)) | BDBM50102525
(CHEMBL265285 | FCDGFYACYMDV-OH)Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C(=O)N[C@@H](CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C)C(=O)N1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C65H82N12O19S3/c1-34(2)54(65(95)96)77-62(92)48(30-53(83)84)74-58(88)43(23-24-97-4)70-61(91)46(28-39-17-21-41(79)22-18-39)72-63(93)49-32-98-99-33-50(76-56(86)42(66)25-36-11-7-5-8-12-36)64(94)73-47(29-52(81)82)57(87)67-31-51(80)69-44(26-37-13-9-6-10-14-37)60(90)71-45(27-38-15-19-40(78)20-16-38)59(89)68-35(3)55(85)75-49/h5-22,34-35,42-50,54,78-79H,23-33,66H2,1-4H3,(H,67,87)(H,68,89)(H,69,80)(H,70,91)(H,71,90)(H,72,93)(H,73,94)(H,74,88)(H,75,85)(H,76,86)(H,77,92)(H,81,82)(H,83,84)(H,95,96)/t35-,42-,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | n/a | 3.56E+3 | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania School of Medicine
Curated by ChEMBL
| Assay Description Dissociation constant for peptide inhibtor binding to HER2 receptor |
J Med Chem 44: 2565-74 (2001)
BindingDB Entry DOI: 10.7270/Q2P55MTN |
More data for this Ligand-Target Pair | |