Found 3 hits of kd data for polymerid = 50004378 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 |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50345640
((S)-2-((2S,3R)-2-((S)-1-((S)-2-acetamido-3-(phosph...)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r| Show InChI InChI=1S/C23H33N4O11P/c1-13(28)19(21(31)25-16(23(33)34)11-15-7-4-3-5-8-15)26-20(30)18-9-6-10-27(18)22(32)17(24-14(2)29)12-38-39(35,36)37/h3-5,7-8,13,16-19,28H,6,9-12H2,1-2H3,(H,24,29)(H,25,31)(H,26,30)(H,33,34)(H2,35,36,37)/t13-,16+,17+,18+,19+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Binding affinity to BRCA1 by isothermal titration calorimetric assay |
J Med Chem 54: 4264-8 (2011)
Article DOI: 10.1021/jm1016413 BindingDB Entry DOI: 10.7270/Q2RX9CD3 |
More data for this Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50345643
(CHEMBL1784787)Show SMILES [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8]P([#8])([#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r| Show InChI InChI=1S/C62H104N19O25P/c1-6-29(2)45(66)57(97)76-39(26-82)54(94)71-35(17-12-22-69-62(67)68)50(90)75-40(27-83)55(95)78-46(30(3)84)59(99)77-41(28-106-107(103,104)105)60(100)81-23-13-18-42(81)56(96)79-47(31(4)85)58(98)74-37(24-33-14-8-7-9-15-33)52(92)73-38(25-44(65)88)53(93)70-34(16-10-11-21-63)49(89)72-36(19-20-43(64)87)51(91)80-48(32(5)86)61(101)102/h7-9,14-15,29-32,34-42,45-48,82-86H,6,10-13,16-28,63,66H2,1-5H3,(H2,64,87)(H2,65,88)(H,70,93)(H,71,94)(H,72,89)(H,73,92)(H,74,98)(H,75,90)(H,76,97)(H,77,99)(H,78,95)(H,79,96)(H,80,91)(H,101,102)(H4,67,68,69)(H2,103,104,105)/t29-,30+,31+,32+,34-,35-,36-,37-,38-,39-,40-,41-,42-,45-,46-,47-,48-/m0/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Binding affinity to BRCA1 by isothermal titration calorimetric assay |
J Med Chem 54: 4264-8 (2011)
Article DOI: 10.1021/jm1016413 BindingDB Entry DOI: 10.7270/Q2RX9CD3 |
More data for this Ligand-Target Pair | |
Breast cancer type 1 susceptibility protein
(Homo sapiens (Human)) | BDBM50345642
((2S,5S,8S,11S,14S)-2-((S)-2-((2S,3R)-1-((S)-1-((S)...)Show SMILES [#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8]P([#8])([#8])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C49H81N16O20P/c1-24(68)37(63-44(77)33(22-67)61-40(73)29(14-9-17-55-49(53)54)58-43(76)32(21-66)56-26(3)70)47(80)62-34(23-85-86(82,83)84)48(81)65-18-10-15-35(65)45(78)64-38(25(2)69)46(79)60-30(19-27-11-5-4-6-12-27)41(74)59-31(20-36(51)71)42(75)57-28(39(52)72)13-7-8-16-50/h4-6,11-12,24-25,28-35,37-38,66-69H,7-10,13-23,50H2,1-3H3,(H2,51,71)(H2,52,72)(H,56,70)(H,57,75)(H,58,76)(H,59,74)(H,60,79)(H,61,73)(H,62,80)(H,63,77)(H,64,78)(H4,53,54,55)(H2,82,83,84)/t24-,25-,28+,29+,30+,31+,32+,33+,34+,35+,37+,38+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a |
University of Nebraska Medical Center
Curated by ChEMBL
| Assay Description Binding affinity to BRCA1 by isothermal titration calorimetric assay |
J Med Chem 54: 4264-8 (2011)
Article DOI: 10.1021/jm1016413 BindingDB Entry DOI: 10.7270/Q2RX9CD3 |
More data for this Ligand-Target Pair | |